Drug activity data NSC No. Drug MOA ME:LOXIMVI ME:MALME-3M ME:SK-MEL-2 ME:SK-MEL-5 ME:SK-MEL-28 LC:NCI-H23 ME:M14 ME:UACC-62 LC:NCI-H522 LC:A549/ATCC LC:EKVX LC:NCI-H322M LC:NCI-H460 LC:HOP-62 LC:HOP-92 CNS:SNB-19 CNS:SNB-75 CNS:U251 CNS:SF-268 CNS:SF-295 CNS:SF-539 CO:HT29 CO:HCC-2998 CO:HCT-116 CO:SW-620 CO:HCT-15 CO:KM12 OV:OVCAR-3 OV:OVCAR-4 OV:OVCAR-8 OV:IGROV1 OV:SK-OV-3 LE:CCRF-CEM LE:K-562 LE:MOLT-4 LE:SR RE:UO-31 RE:SN12C RE:A498 RE:CAKI-1 RE:RXF-393 RE:786-0 RE:ACHN RE:TK-10 ME:UACC-257 LC:NCI-H226 CO:COLO205 OV:OVCAR-5 LE:HL-60 LE:RPMI-8226 BR:MCF7 BR:MCF7/ADF-RES PR:PC-3 PR:DU-145 BR:MDA-MB-231/ATCC BR:HS578T ME:MDA-MB-435 ME:MDA-N BR:BT-549 BR:T-47D 186 3H-2-Benzopyran-7-carboxylic 4.74576 4.29022 4.78555 4.892055 4.6139 4.73511 NA 4.66645 4.98993 4.15267 4.73908 4.44845 4.14726 4.817205 4.793065 4.57314 4.46145 4.84125 4.74054 4.43918 4.90402 4.78801 4.62633 4.65339 4.68322 4.77655 4.51242 4.818655 4.45679 4.85867 4.729745 4.048535 4.84994 4.8233 4.88334 NA 4.195275 4.9566 6.16676 4.778885 4.9366 NA NA NA 4.48045 4.68896 4.2354 4.18645 4.94013 4.79869 4.74052 4.30719 NA NA NA NA NA NA NA NA 742 Azaserine 6.55865 4.14352 4.98158 6.2914 5.81636 5.99454 NA 6.00428 6.39781 6.37735 6.392625 5.68841 6.257845 6.241555 4.086475 5.94869 4.80547 6.25941 6.18673 6.071625 6.75287 6.69388 6.4475 6.535865 6.38329 6.4628 6.51861 6.81324 4.848985 5.82689 5.935115 5.82164 6.63064 6.55801 6.53201 NA 5.56214 6.37634 6.56591 5.73435 4.558885 NA NA NA 3.23296 3.20412 6.50919 4.46898 6.37884 6.27476 6.70954 5.52141 NA NA NA NA NA NA NA NA 752 Thioguanine DI-anti-DNA-Di 6.71275 5.91548 6.01804 5.409005 4.988395 5.98033 6.20088 6.18824 6.10444 5.362195 5.77759 5.02292 6.148805 6.08288 6.12792 4.09654 5.905835 5.3366 5.95357 5.94831 5.972545 5.9297 6.030315 6.162045 5.84336 5.98433 5.7839 6.09744 5.90647 6.0991 5.22764 6.178145 6.86849 6.37991 6.63393 6.8695 5.910755 5.899385 5.09093 6.20771 6.08942 6.06665 5.76478 6.013345 5.7701 5.34066 5.78964 6.13355 5.99786 6.36694 6.13484 6.11171 5.7606 6.09612 5.755775 5.3236 6.04005 6.062175 5.56788 5.845465 755 Thiopurine (6MP) DI-anti-DNA-Ds-Rs-Nr-Me 6.50511 5.49234 5.4628 5.06814 3.12494 5.45534 6.31598 5.696065 5.715275 4.51592 3.42245 5.22851 5.28952 5.69637 5.45374 3.84429 5.05263 4.9104 5.417585 5.41256 5.59214 5.38249 5.49612 5.58918 5.233875 5.37636 5.19386 6.2343 5.32135 5.57177 5.056945 6.1041 5.852585 6.511005 5.784585 5.919895 5.37469 4.54161 4.251965 5.60413 4.71168 5.74014 5.251665 5.61536 5.21136 4.02661 5.38419 5.33129 5.60266 5.79485 5.73844 5.494315 5.40044 5.67505 5.14387 4.84125 5.724725 5.716865 3.73744 5.624095 757 Colchicine TU-TU-Tu 8 7.96804 8 8 8 7.91015 7.839285 8 8 7.36606 4 7.45196 7.61908 7.58254 8 7.49136 8 7.518225 7.35616 7.828645 8 7.59294 7.78318 7.78725 8 6.86853 8 7.80635 4.238885 7.601435 7.63886 7.71327 8 8 7.59855 7.64032 6.3833 7.28378 7.537185 7.11197 7.93464 7.34018 6.508095 4 4 7.51971 8 4.23913 8 8 7.942935 6.31205 7.634855 6.18133 6.462165 NA 8 8 7.685975 4.1059 762 Mechlorethamine A7-ALK-A7-C2 5.62412 5.89173 5.0067 5.323755 5.04459 5.91527 5.29577 5.64094 6.17557 5.674395 5.15095 5.01438 6.876455 5.23678 6.1151 4.79265 4.874865 5.56341 5.504685 5.47829 5.81819 5.27636 5.23671 5.37607 5.63231 5.56973 5.176095 5.170425 5.05414 4.939995 5.17264 5.08629 6.67897 5.11507 6.56103 6.806045 5.10014 6.11371 5.154085 6.30023 5.672105 5.78095 6.65571 5.09158 5.205655 5.03051 5.27258 5.158565 6.70756 5.79073 5.71265 5.11051 5.365375 6.11354 4.84769 4.296595 5.12913 5.146365 5.22906 6.50511 1895 Guanazole DR-anti-DNA-Ds-Nd-Rr 2.42692 2.107605 2 2.400205 2 2.312995 2.485515 2.54983 2 2.37942 2 2 2.50988 2.30696 2.12437 2 2 2.40585 2.21332 2.71993 2.614085 2.34604 2.181035 2.18623 2 2 2 2 2 2.412235 2 2 2.67978 2.008095 2.49546 2.43929 2.112105 2.30725 2.34751 2.36494 2.119765 2.58616 2.72003 2 2 2.09265 2 2.29356 2.83147 2.4862 2.46959 2.593845 2.020165 2.247525 2 2 2 2.01818 2 2 2013 10-Undecenoic 4.02468 3.85362 4.024545 4.027755 3.87063 3.93974 NA 4.07294 3.929205 3.99636 3.91653 3.8721 4.023875 3.92071 4.07992 3.89334 3.78371 3.99267 3.767835 3.87511 3.94957 3.95239 3.9655 3.98359 3.908515 4.119055 4.63174 4.01964 3.86433 3.92157 3.951505 3.87154 3.92238 3.84969 3.9659 NA 4.092085 3.90636 7.20412 3.97384 3.978925 NA NA NA 3.74053 3.91639 3.91507 3.89278 3.99945 3.89187 3.767205 3.77844 NA NA NA NA NA NA NA NA 2384 Cyclohexanone 5.72378 4.77227 4.784 4.85746 4.77463 4.840325 5.09992 4.87257 6.431525 4.72476 4.73487 4.75098 4.85347 4.6271 4.73997 4.83597 4.646 5.35807 4.97854 4.97371 4.76272 5.23103 4.92021 5.76735 5.55163 4.92874 5.67218 4.93229 4.80868 5.17146 4.76214 4.62839 5.35578 5.43591 5.36624 5.01336 4.71885 4.80617 4.77947 4.62187 4.7488 4.894025 4.803465 4.73081 4.76447 4.73271 4.74919 4.73941 5.54388 5.7971 NA NA NA NA NA NA NA NA NA NA 3053 Actinomycin 9.129955 8.8362 8.89391 8.7578 8.78921 8.65254 8.32985 8.94334 9.19026 8.72864 7.82493 8.58413 9.169 8.600495 8.31275 8.79499 8.486055 9.07234 8.59599 8.649045 8.88406 9.00389 8.54129 9.48015 9.24128 7.68289 8.81595 8.412665 8.30527 8.7008 8.698905 8.170175 8.92299 9.24466 9.207305 9.521135 7.59978 8.657785 8.50228 8.2704 8.52024 8.94789 8.36564 7.71602 8.51002 8.54947 8.87967 8.23666 8.576195 9.02965 9.89388 6.84025 8.89267 8.2606 8.27046 8.65636 8.80797 9.02265 8.503435 9.04554 3088 Chlorambucil A7-ALK-A7-C2 4.39983 4.068685 3.82189 4.009325 3.94697 4.553385 4.2007 4.690955 4.60168 4.23883 3.75583 3.71598 4.79481 4.461415 4.02233 4.01741 4.151545 4.38379 4.48307 4.401905 4.677475 3.88206 3.94446 3.96494 4.03232 4.02214 3.868055 3.866795 3.85847 4.07602 3.89862 3.92312 5.22221 3.94444 5.31299 5.32211 4.11693 4.46474 3.8758 4.75566 4.54058 4.532025 4.80915 3.75167 3.964555 4.00002 3.92682 3.99425 5.17458 4.16386 4.44105 4.151105 3.99846 4.21055 3.793715 3.78546 3.939235 3.973275 3.985005 4.24797 3970 Uracil 3.582895 3 3.474565 3.751475 3.50286 3.468635 NA 3.50313 3.38834 3.4538 3.516125 3.26363 3.54859 3.497665 3.415485 3.31083 3.442225 3.43343 3.219435 3.408875 3.37164 3.35141 3.3441 3.59063 3.45851 3 3.5895 3.072135 3.231525 3.25534 3 3.056665 3.47906 3.4455 3.35361 NA 3 3.23892 3.33254 3.53353 3.45693 NA NA NA 3 3.48322 3.71676 3 3.17212 3 3.44528 3 NA NA NA NA NA NA NA NA 4728 Thiadiazole 2.81337 2.44565 2.30103 2.58434 2.70766 2.806585 2.730115 2.590615 2.714495 2.96845 2.952255 2.42743 3.075335 2.62509 2.30326 2.31835 2.71279 2.54332 2.30103 2.525925 2.41675 3.63292 2.86499 2.83054 2.88884 2.954725 2.63565 2.56762 3.02006 2.64312 2.53165 3.49282 3.05156 2.783685 3.25917 2.79795 2.38788 2.47074 3.2062 2.57663 2.45248 2.37557 2.76058 2.30103 3.19497 2.3111 3.40197 2.60084 2.76302 3.12788 2.78207 2.7647 2.57747 2.570875 2.64809 2.74435 2.798995 2.682135 2.50485 2.30103 5159 Chartreusin 5.97646 5.798355 5.99654 5.79747 5.797895 5.78006 NA 5.91679 6.03809 5.226345 5.75162 5.63328 5.63348 5.72642 5.9618 5.901905 5.6073 6.02519 6.052055 5.806445 5.79196 5.58244 5.68743 6.167855 6.06365 5.517025 5.84413 5.64257 5.045465 5.885405 5.733095 5.39881 6.07424 6.10099 6.29659 NA 5.382185 5.676915 5.68769 6.28943 5.78759 NA NA NA 5.65335 5.825495 5.723215 5.66033 5.63469 5.863745 5.8818 5.00423 NA NA NA NA NA NA NA NA 5889 l-Usnic 5.269825 4.936815 5.350035 5.28618 4.99824 5.28527 NA 5.35112 5.40242 5.36281 5.324825 5.29853 5.32418 5.402635 5.19475 5.3791 5.30809 5.36958 5.12651 5.416825 5.15019 5.06889 5.16313 5.076225 5.20392 5.27231 5.36766 5.976875 5.277625 5.32319 5.23185 4.8596 5.34197 5.32621 5.4643 NA 5.44132 5.510975 5.36539 4.5309 5.226145 NA NA NA 5.042145 5.159435 5.27493 4.92004 5.52054 5.36835 5.29553 5.411165 NA NA NA NA NA NA NA NA 5890 D-Usnic 4.769865 4.6364 4.73513 4.69644 4.69642 4.7524 NA 4.82473 4.66704 4.768715 4.646165 4.72987 4.77928 4.656445 4.678975 4.78813 4.630325 4.81468 4.59748 4.941865 4.58986 4.57226 4.75197 4.60155 4.512445 4.74805 4.70536 5.04045 4.942995 4.60491 4.72627 4.56827 4.66992 4.68483 4.61989 NA 4.6991 4.66003 4.68746 4.60936 4.707865 NA NA NA 4.57795 4.79372 4.71084 4.5379 4.7828 4.97821 4.928265 4.770925 NA NA NA NA NA NA NA NA 6171 p-Menthane 5.057355 4.27033 4.2207 5.20494 4.18959 4.85704 NA 4.99445 4.97389 5.02394 4.22964 4.42284 5.95631 4.88538 4.349285 4.58215 4.382515 4.507325 4.373965 4.582545 4.7539 4.220055 4.4144 4.76281 4.8532 4.82654 4.48587 4.28981 4.173235 4.51291 4.55448 4.24018 4.35313 4.402575 4.82607 NA 4.54731 4.964245 4.76948 4.54135 4.79867 NA NA NA 4.87831 5.36752 4.81304 4.142075 4.763205 4.65781 5.6533 4.25914 NA NA NA NA NA NA NA NA 6386 Bialamicol 4.7871 4.74193 4.653715 4.885345 4.51961 4.19468 4.960505 4.665065 4.70151 4.083155 4 4.306475 4.69704 4.33522 4.853835 4 4 4.38351 4.11441 4.464575 4.74455 4.81293 4.536825 4.74319 4.586975 4.755865 4.469945 4.168105 4 4 4 4 4.531585 4.57268 4.42248 4.86629 4.823365 4.043145 4 4.33515 4.79255 4.47218 4.092435 4.166015 4.702515 4.31709 4.55988 4.73253 4.42209 4.541795 4.233005 4.13568 4.396185 4 4.585435 4.545055 4.43007 4.50259 4.30777 4.367475 6396 Thiotepa A7-ALK-A7-C2 4.399925 3.80185 3.6796 3.91724 3.72079 4.4378 4.13672 4.873885 3.96464 4.2874 3.55091 3.62366 5.28829 4.48089 3.81433 3.880645 3.98424 4.22418 4.42117 4.49834 4.45406 3.81692 3.87306 3.91479 3.823695 3.83542 3.7829 3.75652 3.72338 3.938275 3.77809 3.9016 5.03805 3.79282 5.16864 5.159605 3.96211 4.451465 3.86472 4.51067 3.922605 4.41489 4.82209 3.4815 3.84564 3.885275 3.805635 3.84482 5.18193 3.705645 4.466685 3.9995 3.75954 4.38398 3.580515 3.42727 3.814745 3.84253 3.80378 3.741315 6814 13-Docosenoic 4.60337 4.3834 4.65452 4.67342 4.52848 4.48452 NA 4.63641 4.43065 4.37701 4.46246 4.33687 4.573035 4.39071 4.31629 4.42591 4.44476 4.46007 4.3338 4.45826 4.48968 4.38266 4.46143 4.67496 4.492265 4.360935 4.665745 4.49232 4.38318 4.3998 4.362335 4.13906 4.53334 4.41911 4.40203 NA 4.11484 4.51536 4.3682 4.38848 4.487785 NA NA NA 4.29071 4.27039 4.65822 4.0743 4.4994 4.3587 4.46765 3.93342 NA NA NA NA NA NA NA NA 7364 Metoprine 7.10898 5.536325 4.69304 6.38762 5.3367 6.42276 6.789595 6.450475 6.10502 7.30977 5.27898 5.68501 7.51609 6.01104 5.08302 6.02342 4.93828 6.197325 5.999575 6.386195 5.91827 6.58782 5.535945 7.12015 6.841545 6.837965 5.51605 5.14208 4.4039 6.219975 5.59615 5.3612 6.36494 7.55464 6.217465 6.510595 5.72801 6.178185 4.666325 5.286165 4.87942 6.56397 6.30494 4.88007 5.41403 4.47787 5.00433 4.82195 6.88668 5.33017 6.08256 5.95973 7.10473 5.76471 6.33193 5.32599 6.44942 6.85 4.67742 4.77095 7365 DON 6.05304 5.03145 4.089255 5.892575 5.68561 5.72886 5.890495 5.68934 5.75179 5.8775 5.395635 5.66644 5.893 5.79882 4.74261 5.30688 4.5211 5.78838 5.80821 5.839865 6.13656 6.79894 5.749155 6.04083 5.738615 6.02747 6.07475 6.293525 4.788195 5.67643 5.67089 5.643225 6.04173 5.91629 6.0876 6.10867 5.26124 5.548545 4.52717 5.4862 4.82762 5.81075 5.92255 5.82637 5.23475 4.40535 5.94472 5.60997 5.79159 5.849465 6.20784 5.03468 6.090215 5.909965 4.997715 3.92249 5.756945 5.91899 4.83324 5.06835 7522 Cymarin 6.64932 6.40426 6.10435 7.003435 5.92759 6.51148 6.23839 6.31556 7.40635 6.77634 6.58935 6.36995 6.5017 6.6211 6.28941 6.21832 6.40859 6.37965 6.900175 6.73958 7.091715 6.31188 5.681645 6.48143 6.4433 6.46534 6.28059 6.49785 6.57765 6.37468 6.34856 7.08994 5.185245 6.73478 6.78589 6.38795 6.48449 7.37738 6.39489 6.77064 7.50685 6.75237 6.84591 6.52761 6.235 6.13037 6.02629 6.24817 6.927825 6.57659 6.33414 6.45012 6.6917 6.71339 5.75365 6.28013 6.36345 6.865575 6.46643 6.25322 7534 SCILLIROSIDIN 7.61391 8.01343 7.61717 8.34447 7.33358 8.5945 NA 7.51255 8.779225 8.19644 7.6623 7.80858 8.24132 7.943795 7.23202 7.35702 7.50436 7.6325 8.22829 8.03973 7.984425 7.5291 7.10355 8.28351 7.99259 7.62546 7.34808 8.30626 7.69568 7.70577 7.60913 7.51913 8.24885 7.777955 8.57388 NA 7.55382 8.29491 7.358065 7.839675 8.2295 NA NA NA 7.49729 7.25894 7.39497 6.91183 8.25028 7.9143 7.70531 7.94138 NA NA NA NA NA NA NA NA 8120 4H-Furo[3 6.303425 5.937635 5.90336 5.875725 5.93617 5.92635 NA 6.14132 6.21722 5.4481 5.8502 5.52698 5.949335 4.99546 5.95174 5.59545 5.23537 5.642575 5.99068 5.42244 6.1063 5.9048 5.927375 6.756995 6.546735 6.126725 6.089615 5.86238 5.7183 6.136575 5.66887 4.97391 6.750195 5.85301 6.56422 NA 5.819105 6.07812 6.031565 6.10802 6.59992 NA NA NA 6.096945 5.51291 6.301255 5.10569 6.604725 6.684975 6.38191 6.14867 NA NA NA NA NA NA NA NA 8806 Melphalan A7-ALK-A7-C2 4.74759 4.51915 4.27896 4.43541 4.27918 4.623305 4.67815 4.94934 4.48936 4.56699 4.26497 4.14588 5.082775 4.79237 4.42134 4.30761 4.43498 4.57577 4.72923 4.752425 4.81525 4.17641 4.33475 4.415055 4.4416 4.42204 4.17602 4.32065 4.37989 4.45474 4.29433 4.48575 5.65107 4.31619 5.66124 5.77899 4.35231 4.85864 3.916255 4.84301 4.49079 4.83196 4.948145 4.22652 4.37632 4.3454 4.37204 4.3216 5.61294 4.370455 4.93023 4.31834 4.472245 4.370835 4.219915 4.259795 4.389635 4.35817 4.47116 4.87131 9609 Ammonium 5.341055 5.03917 5.21246 5.57492 4.79685 4.84621 4.75588 5.02684 5.39972 4.917585 4.70029 4.63041 5.02641 4.81912 4.805685 5.22136 5.53125 5.79461 4.98427 4.74058 5.24314 5.30132 4.67559 4.9418 5.04841 4.59696 5.44128 5.19798 4.567375 5.05733 5.70811 4.60408 5.10154 5.15004 4.98614 5.113905 4.60655 5.14597 4.48094 4.643795 5.10505 4.678045 4.623155 4.76624 4.76266 5.14083 5.80299 4.83581 5.62354 5.35792 5.149235 4.14273 5.23966 4.78429 5.0784 5.32278 5.28027 4.91455 5.51189 5.20566 9706 Triethylenemelamine A7-ALK-A7-C2 5.49618 4.904545 4.74009 5.17079 4.82588 5.54915 5.31844 5.72766 5.296885 5.29211 4.62273 4.71684 6.38258 5.66573 4.91107 5.09747 5.253375 5.40834 5.54785 5.555915 5.56919 4.84195 4.923755 4.99784 4.923395 4.882975 4.808085 4.75631 4.77103 5.058415 4.81198 5.03707 6.12676 4.971615 6.32915 6.339775 5.10147 5.57649 4.92612 5.63356 5.02676 5.51222 6.07076 4.54978 4.88865 4.97628 4.83902 4.93178 6.219125 4.83744 5.62404 5.22304 4.84497 5.43273 4.6642 4.60427 4.86355 4.857625 4.7837 5.09055 9856 Wecoline 4.022895 3.30103 3.44652 3.96383 3.889985 3.98495 NA 3.95801 4.00194 3.8628 3.983235 3.30103 4.00842 3.30103 4.0927 3.96518 3.84612 3.99435 4.001415 4.001025 4.01462 3.30103 3.30103 4.016555 3.83167 3.91362 3.64984 3.30103 3.616125 4.00428 3.61502 3.30103 3.99789 3.99109 3.8956 NA 3.94557 4.01471 3.30103 3.93596 4.02068 NA NA NA 4.01207 3.97968 3.30103 3.30103 3.8983 3.94626 3.985285 3.984085 NA NA NA NA NA NA NA NA 10010 N 5.97672 4.76724 5.25335 5.75212 4.7961 5.71732 5.78812 5.76335 5.99085 5.88958 5.75705 5.61643 6.39736 5.91681 5.90526 5.72636 5.39531 5.83805 5.68959 5.9793 5.90163 6.27763 5.854305 6.60769 6.018955 5.74729 5.93488 5.89553 5.90611 6.42773 5.524825 5.17706 5.97776 6.57835 5.88076 6.28982 4.84052 5.36736 4.862315 4.93347 5.83142 5.91985 5.03919 5.331935 4.794425 5.11421 5.64276 5.594375 6.083585 5.95547 5.91878 5.26506 5.99339 5.21716 5.89643 5.7845 5.80198 5.8351 5.04833 5.76177 10460 C.I. 5.50038 5.4745 5.51801 5.99937 5.17759 5.5066 5.39754 5.41723 5.56173 5.42037 5.24125 5.42751 5.52895 6.1481 5.51706 6.24209 6.56541 6.26674 6.25666 5.86817 5.700895 5.39343 5.31567 5.41781 5.44487 4.93378 5.538565 5.37605 4.960325 5.621485 4.97124 5.31985 5.37337 5.55752 5.45723 5.32516 4.86433 6.29097 NA 4.68434 5.31612 5.61681 5.20357 4.97627 5.40212 5.249045 5.78375 4.9005 5.407285 5.57149 5.495475 4.8753 5.53536 5.2304 5.260795 6.46804 5.39554 5.289775 6.12518 5.95181 11905 Tecomin 5.11404 4.49356 4.45048 4.94502 4.62233 4.61976 4.29229 4.87218 4.704945 4.75906 4 4.50491 5.32927 4.43816 4 4.76763 4.32813 5.1075 4.99567 4.85076 5.11023 4.70912 4.06432 5.21059 4.56487 5.54682 5.033525 4.75084 4.42565 4.62892 4.39352 4.15536 4.81811 5.16102 5.22179 4.68602 4.31058 4.50407 4.21875 4.36004 4.389805 4.64286 4.50832 4.15305 4.58882 4.26874 4.29862 4 5.23471 4.71546 4.6127 4.49107 5.53429 4.4334 5.06897 4.45798 4.73184 4.75999 4.28552 4.21243 14666 Adenine 3.876365 3.96462 3.60206 3.95954 3.60206 3.97341 NA 4.173225 4.25353 3.886515 3.833 3.60206 4.50235 4.19403 3.79947 3.60206 3.60932 3.92941 3.99444 4.00162 4.101155 3.60206 3.60206 3.60206 3.60206 3.992455 3.60206 3.68881 3.60206 3.76651 3.60206 3.60206 4.30515 3.60206 4.64669 NA 3.83216 4.03565 3.91745 4.020875 4.27279 NA NA NA 3.60206 3.99548 3.604495 3.60206 4.468575 3.72954 4.06093 4.00737 NA NA NA NA NA NA NA NA 14974 Glaucarubol 4.74278 4.01349 4.21647 4.36372 4.000195 4.33507 NA 4.000885 4.29246 4.54762 4.5821 4.36774 5.10301 3.99835 4.83164 4.91034 4.75605 4.19263 3.85715 4.5913 4.40198 4.76028 4.81487 3.976975 4.635715 3.43837 4.6815 4.804975 4.34481 4.51039 4.79469 4.44756 5.077 4.44384 5.06786 NA 3.916125 3.731755 4.87106 4.73811 5.10901 NA NA NA 3.88156 4.60729 4.71023 3.61206 4.56697 4.4122 3.85298 3.64498 NA NA NA NA NA NA NA NA 14975 Butyric 5.04985 5.03104 4.43623 5.00045 4.776635 4.76352 NA 4.636515 5.09621 4.16062 5.03439 3.999535 5.00766 4.378205 4.83576 5.01363 4.54339 4.92591 4.22418 4.3552 5.0925 4.627385 4.84627 4.85508 4.88233 4.23371 4.61418 4.894385 4.296965 4.45447 5.1156 4.21976 5.38365 5.05682 5.17797 NA 3.98834 4.093935 4.389975 4.84172 5.33536 NA NA NA 4.283935 4.60042 4.506855 4.05905 5.11057 5.09712 5.017 3.48812 NA NA NA NA NA NA NA NA 15200 Gallium 2.67592 3.496805 3.622555 3.562545 2.697685 3.179005 3.212095 3.35172 3.05309 2.46415 2 2.39467 2.940545 2.41319 3.232505 2.65392 3.066755 3.38733 2.443415 3.6419 2.06794 2.69052 2 2.98181 2.27221 3.01023 2 2.51244 2.911645 2.038075 3.20193 3.45834 3.3144 2.44536 2.77331 2 2.2863 2.057595 3.348925 2.14598 2.33048 2.06222 2.08225 2.90882 2.12554 2.2353 2.50075 2.49419 3.161845 2.86726 2.5614 2 2.805115 2.43847 3.05211 2 2.73232 3.46961 2.256925 2 15309 p-Benzoquinone 5.617495 5.386925 5.218635 6.04747 5.326905 5.79317 NA 5.860425 5.85698 5.144 6.0683 5.47179 5.41276 5.05107 6.03264 5.028465 5.0763 5.22739 5.22434 5.17317 5.174525 4.97237 5.285715 5.60661 5.65373 5.605255 5.4683 5.67013 5.81201 5.99797 5.49774 5.02695 6.42693 5.91071 6.26328 NA 5.11893 5.587385 5.510315 5.22733 6.08741 NA NA NA 5.72481 5.18518 5.05217 4.81708 6.18961 6.11503 5.372685 5.78319 NA NA NA NA NA NA NA NA 17275 17275 5.03284 4.75303 4.68807 4.77228 4.73646 5.14381 4.79684 5.19815 4.87033 4.9095 4.58979 4.79482 5.48135 4.90025 4.8179 4.72858 4.71906 4.96873 4.896255 4.87522 4.91375 4.87468 4.807145 4.953355 4.91784 4.78012 4.73366 4.81089 4.74563 4.86759 4.76812 4.724285 5.75862 4.63287 5.60541 6.20301 4.78184 5.01389 4.68534 5.08502 4.8935 5.16513 5.10382 4.70914 4.78083 4.80092 4.76742 4.738275 5.5107 5.15529 5.23912 4.72398 5.04157 4.80288 4.73098 4.43226 4.81186 4.81855 4.84553 5.06829 18300 18300 4.99563 5.17147 4.83958 5.3749 5.57897 4.89172 5.0447 5.24808 5.6829 4.73837 5.07733 4.91896 4.71313 4.78836 4.85134 5.18763 5.00987 5.4876 4.74159 4.93367 5.42535 4.96026 4.98992 4.89193 5.10241 4.94646 4.80241 5.35671 5.44793 4.898985 5.04886 4.74427 5.74287 4.959225 5.42769 5.54952 4.73948 5.49659 4.90062 4.73564 4.74686 5.3221 5.3704 4.62617 5.42181 5.54851 5.1499 4.5705 5.58846 4.72971 4 NA 4 4 NA NA 4.16147 4 5.31034 4 19893 Fluorouracil (5FU) R.-anti-RNA-Ds-Nd-Rs-Ri 5.17358 4.76348 3.14811 4.89205 4.62036 4.96418 4.455535 4.87203 4.47167 5.71142 3.08975 4.53755 5.957655 4.91329 3.83138 3.943585 3.74457 4.31325 4.27906 4.26307 6.11428 5.14435 6.180835 5.347575 4.63865 5.194845 4.91658 4.38285 4.06634 4.80855 4.80629 3.60069 4.61415 4.797865 4.90571 5.402675 5.18378 4.6469 5.25616 5.37944 4.18324 4.909025 4.93894 3.39545 3.93559 3.56937 5.12169 3.574025 4.92005 5.35116 5.78298 4.63276 4.3777 5.11768 2.98539 3.637935 4.92597 5.01712 3.84829 4.20051 19994 Guanine 4.31538 3.77031 4.10447 4.24976 4.02188 4.208915 NA 4.328185 4.304955 4.12557 4.16225 4.18572 4.11016 4.25694 4.091515 4.15647 4.17013 4.09357 4.09621 4.162415 4.17068 4.17375 4.06789 4.12683 4.083815 4.092015 4.10136 4.07671 4.16226 4.166075 3.98696 4.01538 4.66727 4.12168 4.33649 NA 4.16294 4.15044 4.366645 4.13762 4.27016 NA NA NA 4.01541 4.13879 4.250465 3.98557 4.44573 4.57906 4.46497 4.06808 NA NA NA NA NA NA NA NA 20534 Thioxanthen-9-one 5.7223 5.58573 5.4212 5.50397 5.67409 5.17337 5.74105 5.75307 5.2071 5.40418 4.8984 5.31321 5.77786 5.30303 5.37655 4.83314 5.51786 5.38996 5.14885 5.48875 5.51644 5.56186 5.642625 5.43922 5.73499 5.26199 5.39405 4.92065 5.12103 5.39621 5.24791 5.247185 5.41409 5.7221 5.6083 5.22067 5.06749 5.25199 4.82306 5.49893 5.90379 5.45977 5.40094 5.02873 5.70942 5.55405 5.78351 5.20494 5.73354 5.35621 5.74354 5.51265 5.48049 4.99183 5.72619 5.64811 5.70751 5.75862 4.87211 5.52182 21075 7-Isoquinolinol 6.124425 5.93358 6.05877 6.37422 6.01747 6.04118 NA 6.121665 6.086755 6.08723 6.05081 5.90154 6.144065 6.05661 5.95387 6.17946 6.04295 6.09916 5.88183 6.03893 6.00823 6.046005 6.05677 6.20663 6.05422 5.47786 6.16154 5.604155 5.879085 5.86976 5.509095 5.67081 6.13345 6.08681 6.104125 NA 5.36972 6.05429 5.927355 6.08444 6.15699 NA NA NA 5.635845 6.37457 6.32606 5.31248 5.48451 5.56862 6.198825 5.30462 NA NA NA NA NA NA NA NA 21548 Thymidine 2.86179 2.54422 2.30103 2.30167 2.8876 2.83602 2.844715 3.15794 2.63294 3.103135 2.30103 2.70653 3.23023 2.82765 2.30103 2.54263 2.30103 2.771735 2.66998 2.30103 2.313475 2.30103 2.30103 2.643345 2.613915 2.34048 2.30103 2.39684 2.30103 2.69091 2.30103 2.30404 4.29105 2.66649 3.49084 2.30103 2.30103 2.84712 2.30103 2.84009 2.30103 2.83248 2.564665 2.30103 2.30103 2.30103 2.48702 2.3257 2.30103 2.51608 3.44004 2.6253 2.30103 2.30103 2.30103 2.45831 2.30103 2.408115 2.30103 2.38892 22070 Germacra-4 5.29889 5.57825 4.79008 4.91207 5.17546 4.85867 5.40832 5.05038 5.80187 4.75932 4.76962 4.79217 4.75156 4.73032 5.740945 4.606325 4.9159 4.73037 4.74869 4.78971 5.32889 5.40556 4.77316 5.30994 5.7836 5.25369 4.77375 4.89584 5.19745 5.18946 4.74927 4.66593 5.83707 5.6298 5.66216 5.51265 4.82879 4.9357 4.79951 5.60825 5.320435 5.45431 4.951105 5.47039 5.01569 5.12829 5.77774 4.78118 5.85079 5.67197 5.33816 4.94713 4.87968 4.8217 4.9071 4.87993 4.89979 5.21276 5.01346 5.4249 22842 6H-Benzofuro[3 4.312475 4.08983 3.90309 4.59832 3.90309 4.174025 NA 4.20311 5.283425 4.33134 4.08065 4.21295 4.41399 4.35196 3.90309 4.28544 3.95661 4.47762 4.07804 3.98813 4.21088 4.29562 4.25082 4.530045 4.245375 4.27873 3.91322 4.2908 4.04861 4.17297 4.117005 3.90309 5.09293 4.138345 4.8711 NA 4.25129 4.261005 5.957595 4.23479 4.23466 NA NA NA 3.963975 4.33159 4.57817 3.90309 5.40323 4.28991 4.01159 3.90309 NA NA NA NA NA NA NA NA 24500 p-Benzoquinone 5.368855 4.62969 5.175335 4.795485 4.517945 5.04434 NA 5.302875 5.107655 4.38351 5.17827 5.0916 4.51357 4.36191 5.358645 4.38857 4.48701 4.46185 5.30325 4.88135 4.426785 4.467265 4.39426 5.317065 5.20086 4.48845 4.78332 5.15093 5.34119 4.97094 4.965155 4.4728 5.98686 5.22275 5.979465 NA 4.39487 4.85681 4.60387 4.48808 5.00695 NA NA NA 5.074 5.23019 4.95017 4.39044 5.38197 5.199715 4.780155 5.306825 NA NA NA NA NA NA NA NA 24559 Mitramycin 8.470275 8.32315 8.54032 8.147015 8.15324 7.81017 7.740745 8.788315 8.55403 7.59423 7.334645 8.19796 8.5019 8.166565 7.52484 7.94684 8.24531 8.52361 7.82888 8.13021 8.38601 7.64048 7.74449 8.59415 7.88527 6.78382 7.974215 7.51599 7.553215 7.788405 7.500485 7.525015 7.60887 7.93214 7.650445 8.3069 7.42338 7.98138 8.13084 7.80766 8.01437 7.92899 7.83255 6.80285 7.82146 8.491015 7.809905 7.51292 7.45432 8.27918 8.535025 5.8297 7.519335 7.41393 7.382025 8.56528 7.75878 7.86083 8.20273 8.41106 25149 Podocarpa-7 4.26526 4.17353 4.292935 4.02875 4.22686 4.44449 4.23509 4.64592 4.46085 4.32469 4.41291 4.20669 4.43275 4.169 4.429285 4.17297 4.17056 4.39856 4 4.51186 4.15027 4.282625 4.096635 4.37164 4.43787 4.48245 4.42206 4.62559 4.28076 4.244855 4.2807 4 4.367845 4.27565 4.396085 4 4.45783 4.22463 4.30269 4.48291 4.206975 NA 4.37574 4.17831 4.37426 4.44085 4.58664 4 4.29685 4.331585 NA NA NA NA NA NA NA NA NA NA 25154 Pipobroman A7-ALK-A7-C2 4.25505 4.0094 3.9777 4.12989 4.00803 4.20731 4.19308 4.728805 4.146745 4.25852 3.96037 3.96456 4.96627 4.18633 3.95623 4.053455 4.11617 4.23056 4.316315 4.21333 4.17905 4.04019 4.069195 4.147465 4.05927 4.08224 4.06738 3.98742 4.08305 4.046875 4.00664 3.97933 4.695645 3.84962 4.82558 5.175325 3.92125 4.31272 4.07561 4.18972 4.129915 4.167845 4.524985 3.62829 4.03724 4.10758 4.04283 4.013375 4.81614 3.93414 4.25778 4.11144 3.99258 4.16661 3.92761 3.756675 4.02962 4.064895 4.11696 3.809275 26258 [1]Benzopyrano[3 7.27583 7.03737 6.80968 7.721105 6.78729 7.87971 6.57703 7.29967 7.598795 6.962345 6.145135 6.647375 6.96534 6.6777 6.92867 6.41092 6.736765 6.569405 6.43482 7.358425 6.78773 6.78377 6.4857 7.14583 6.78214 6.74408 7.04407 7.230325 6.050525 6.52008 6.617935 6.651815 6.33886 7.25137 6.546305 6.420775 6.67483 6.3722 6.48067 7.40186 6.950795 6.549305 7.328175 6.742375 7.52303 6.516395 6.900405 6.12908 7.1794 7.25427 6.832075 7.101685 6.61322 6.863825 5.926275 7.104885 8 7.2484 6.78352 6.65926 26647 1 5.89697 5.77353 5.00358 5.37353 5.840085 5.553515 6.20881 5.750535 6.220295 4.8229 5.55666 4.856625 5.569175 4.779365 5.757495 4.90627 5.562435 4.971645 5.47908 4.941005 5.674065 5.65981 5.38118 5.904155 6.46401 5.94356 5.206605 5.56847 5.73123 5.90333 4.90511 4.66513 6.700425 6.35605 6.68698 6.56542 5.50133 5.77631 5.66863 5.730795 5.7441 5.74148 5.75585 5.72973 5.81452 4.78373 5.85387 4.89437 6.534665 6.36119 5.63357 5.71559 4.89189 4.8288 5.65276 5.66411 5.4342 5.56044 5.68979 5.6852 26980 Mitomycin A2-ALK-A2-C2-Re 6.54285 6.07549 5.77834 6.438135 5.72194 6.90796 6.40159 6.92035 6.177225 6.70863 5.26081 5.990695 7.75413 6.970185 5.40171 6.48873 6.372685 6.44383 6.27943 6.81383 6.65397 6.101185 6.15206 6.153235 6.309885 5.86996 5.5855 5.44192 5.43416 5.91205 5.4921 6.01668 6.64888 5.68723 6.62435 6.90543 5.61546 6.62222 6.14637 6.55416 5.58242 6.35124 6.82955 5.294375 5.83195 6.13349 5.94757 5.8314 6.7195 5.525155 6.71785 5.22548 5.54335 6.72576 5.07043 5.45696 5.664945 5.6831 5.613885 5.65978 27640 Floxuridine (FUdR) DP-anti-DNA-Ds-Nd 7.64789 5 5 6.72466 5.690805 6.50007 6.75048 7.4939 5.667475 8.01479 5 6.306185 9 7.471205 6.07354 5 7.27622 7.04903 7.85958 7.42273 8.51986 5.80968 9 7.04162 5 5.446575 5.00179 5.374685 5 6.8824 5.55271 5.71356 8.16918 6.073315 7.36838 7.47958 7.113995 6.875845 5.78971 7.35517 5.376155 7.244045 7.401085 5.346005 5.31585 5 5.766145 5.01651 6.724155 5.789585 8.41101 5.86844 6.56608 6.592635 5.18272 5 5.31103 5.87817 5.958685 6.12773 28002 Naphtho[2 4.16546 5.81325 4.946975 5.14372 4.985825 5.29097 4.88473 4.84582 5.415905 5.473155 5.19493 5.33121 4.922435 5.06473 4.85808 5.559915 4.99353 5.789225 5.71858 5.33129 4.9341 4.56101 5.28646 4.79633 5.445475 4.22633 6.1365 5.235805 4.92023 5.31484 4.373875 4.79608 5.192565 4.993215 5.347445 5.48903 4.65022 5.53073 4 4.17319 4.65189 5.526645 4.289025 4.44379 5.08728 5.37665 5.11931 4.23214 4.476025 4.789025 4.981045 4.25767 4.57416 4.94372 4.67023 5.64499 4.899635 5.17258 5.528035 5.867445 30706 PBE 7.070735 6.7303 6.72503 6.75647 6.69153 6.9323 6.80664 6.56125 6.86463 6.17992 6.020585 5.75982 7.18598 6.86539 6.40299 5.70246 6.39504 6.73698 6.43506 6.58771 6.67361 6.70118 6.79423 6.85016 6.86694 6.77855 5.8897 7.050855 6.70821 6.27095 5.84022 6.281775 7.43648 6.6747 7.3433 7.58903 6.77056 6.911745 7.49667 7.83076 7.197935 6.84331 7.29171 6.60024 6.82214 6.5122 6.74769 6.3 7.40591 6.697 NA 6.12136 5.95331 6.46953 5.639 5.62167 5.9089 6.28797 6.45853 5.97874 30916 MP 5.89363 5.69857 4.88709 4.81886 4.77918 4.94285 4.86409 4.7823 5.91585 4.71329 4.70174 4.764955 4.76073 4.74308 5.79058 4.74109 4.76624 4.80969 4.7574 4.76507 4.79131 4.79444 4.753475 5.35026 5.78857 5.80982 4.75939 5.01241 4.84473 4.94204 4.7751 4.75399 5.9553 5.8685 5.74895 5.76948 4.76299 4.96694 4.72639 5.73947 5.05142 5.60185 4.84673 4.75187 4.86011 4.72872 5.72724 4.74512 5.76531 5.60859 5.43318 4.96428 4.81401 4.72479 4.71351 4.66198 4.77486 4.90372 5.1127 5.7254 32065 Hydroxyurea DR-anti-DNA-Ds-Nd-Rr 3.132375 2.99799 2.60206 3.28275 2.60206 3.11337 3.251775 3.51307 3.161265 3.27833 2.60206 2.60206 3.437945 3.01482 3.042795 2.75592 3.079695 3.22669 3.28494 3.34084 3.44203 3.32759 3.06196 3.015655 2.93966 3.11303 3.054405 2.90703 2.60206 3.27225 2.863605 2.70457 4.34364 3.06002 3.748215 3.64461 3.29104 3.113275 3.10996 3.50609 2.93662 3.57237 3.9438 2.60206 2.6999 3.09308 2.70479 3.236895 4.812635 3.65985 3.417025 3.40762 3.03652 3.09959 2.60206 2.84771 2.68004 2.71005 2.75423 2.90398 32946 Methyl-GAG 5.180315 4.44037 4.861245 3.60524 4.145985 4.559805 4.3326 4.24154 4.359695 4.164415 4.5282 5.145865 4.73195 4.60437 5.27405 4.38795 4.4467 4.56827 5.16497 4.05534 4.99681 4.771385 5.19708 5.0738 5.00607 4.009375 5.35825 5.178375 5.28506 5.144445 3.41281 4.077335 5.23842 4.77001 4.929015 5.709105 4.94414 3.93652 3.56963 5.00883 4.005895 5.56136 4.54262 4.18242 3.845375 4.51352 5.28664 4.82297 4.78453 4.96274 4.7059 5.16127 3.57429 4.40893 4.63526 4.62345 4.86709 4.83654 3.57528 5.72034 33530 33530 6.40956 5.69468 5.65699 5.72533 5.70272 6.20184 NA 6.34463 5.99107 5.59174 5.68368 5.689605 5.79453 5.546875 6.37244 5.64741 5.68268 6.18795 6.27614 5.75341 6.06844 5.321655 5.64712 6.5323 6.32575 6.13782 6.09961 6.539375 6.44578 6.42353 6.15789 5.6018 6.51825 6.401245 6.57317 NA 5.78453 6.008075 5.693705 6.06754 6.51601 NA NA NA 5.83292 5.71745 5.56113 5.519315 6.637715 6.50469 6.0212 6.52601 NA NA NA NA NA NA NA NA 34445 34445 4.77655 4.6848 4.61299 4.67931 4.766515 4.78142 4.72626 4.74211 4.72644 4.59579 4.58379 4.41723 4.70062 4.64366 4.94212 4.63839 4.62307 4.74296 4.98573 4.4703 4.6446 4.73314 4.31332 4.75898 4.71179 4.710855 4.622 4.77755 4.89882 4.78354 4.83723 4.3574 4.81572 4.71307 4.6413 4.70986 4.7339 4.74012 4.52924 4.61556 4.748965 4.79127 4.80987 4.610165 4.7047 4.69764 4.76549 4.74971 4.63462 4.54285 4.718915 4.646175 4.828215 4.78627 4.74793 4.442165 4.74733 4.708525 4.82787 4.682545 34462 Uracil mustard A7-ALK-A7-C2 4.86274 4.37033 4.03085 4.26535 4.13087 4.8651 4.69077 5.14307 4.90127 4.61669 4.02987 3.95266 5.4713 4.841935 4.59917 4.324905 4.56507 4.82041 4.869305 4.80155 4.923445 4.14579 4.13753 4.28475 4.26032 4.26727 4.0552 4.0572 4.08996 4.2966 4.0924 4.24961 5.63377 4.334015 5.77502 5.843475 4.34945 5.01888 4.11117 5.44485 4.717415 4.98714 5.50669 3.97048 4.239595 4.24357 4.16649 4.33344 5.772725 4.35928 4.75422 4.566495 4.26397 4.662135 4.04838 4.048075 4.19475 4.22775 4.2162 5.077 34821 34821 4.78721 5.1097 4.74849 4.73751 4.75366 4.75992 4.7852 4.73895 5.75357 4 4.361845 4 4.66445 4.41178 4.79414 4 4.59694 4.72884 4.69905 4.70918 4.47625 4.71635 4.52441 4.76134 4.77186 4.96637 4.76063 4.73003 4.76332 4.71891 4.67541 4.63581 5.65661 5.46317 5.49693 5.55157 4.74091 4.74624 4.23761 4.84749 4.80389 4.81478 4.77752 4.70604 4.81414 4.52206 4.88897 4.7158 5.59172 4.92123 4.84574 4.71741 4.75895 4.627215 4.73872 4.63989 4.79173 4.84038 4.78842 5.41655 36354 Benzo[a]heptalen-9(5H)-one 7.433255 7.316955 7.927185 8 5.61685 7.65443 7.68347 7.99699 7.7244 7.568395 5.86378 7.72722 7.734425 7.38103 7.20876 7.371235 7.94871 7.53125 7.35726 7.933425 7.78014 8 7.63018 7.814425 8 7.494335 8 8 4 7.454985 7.29313 7.49666 7.93989 8 7.53655 6.58992 6.732205 7.303105 7.37036 7.35772 7.75704 7.334905 7.10295 5.3184 6.44956 7.47249 7.822025 7.11078 8 7.6654 7.408275 6.860735 8 7.72115 7.742565 7.59565 8 8 7.45477 4 38270 C 7.60561 7.579715 7.726685 7.59518 7.51009 7.635285 6.846315 7.70073 7.612695 7.29863 7.25391 7.55018 7.4158 6.89248 7.24597 7.28856 7.7055 7.56725 7.39882 6.80272 7.6309 7.39783 7.146445 7.514025 6.98008 6 7.46991 7.48805 7.42581 7.25513 7.27615 6.51504 7.48446 7.411315 7.558965 7.50707 6 7.34532 6.74069 6.6345 7.27087 7.20914 6.41643 6.40948 7.390235 7.47342 7.488295 7.57708 7.42061 7.46858 7.33208 6 6.69676 6.99513 7.20278 7.43558 7.06849 6.95128 7.69481 6.90845 38535 38535 5.71347 6.29384 4.83126 4.71754 5.711 5.35359 5.6533 4.78514 7.223715 4.64516 5.65911 4.71382 4.71815 4 6.035685 4.7608 4.823 4.755 4.70645 4.67764 5.72711 5.75371 5.27772 5.88871 6.64425 5.81103 5.17495 5.43911 5.93323 5.42275 4.77607 4.68285 6.11919 6.52648 5.82985 5.27484 4.76887 5.67848 4.638515 6.40505 5.757485 5.86492 5.75492 5.69197 5.67904 4.687235 5.78697 4.7672 6.103725 6.22047 6.51905 5.66056 4.80778 4.76181 5.2236 4.63866 4.8425 5.35971 5.70819 5.94773 38721 Mitotane 4.67484 4.750645 4.72775 4.70961 4.71785 4.70822 4.721315 4.74036 4.752085 4.73797 4.68429 4.6957 4.70447 4.66079 4.79026 4.682 4.72585 4.70905 4.71277 4.7036 4.69137 4.781775 4.74945 4.805805 4.699065 4.73028 4.72622 4.73399 4.72314 4.687655 4.70514 4.6497 4.67341 4.72203 4.73008 4.7009 4.698405 4.70494 4.663655 4.7545 4.843485 4.717225 4.69127 4.682335 4.7063 4.71693 4.70069 4.72537 4.62681 4.71744 4.71504 4.71429 4.668625 4.68972 4.70349 4.745695 4.741315 4.74631 4.85124 4.7885 40341 40341 5.767755 5.72512 5.72272 5.74751 5.73746 5.84618 5.79413 5.75512 6.10768 4.83879 5.72078 4.93788 5.45623 4.87785 5.96556 4.81673 5.56438 5.754 5.76196 5.22759 5.76978 5.75387 5.55594 5.87186 5.83526 5.81591 5.42838 5.80877 5.78885 5.77065 5.71574 4.90876 6.69824 7.07286 6.47477 6.65002 5.83539 5.786 5.456995 5.75348 5.79495 5.74383 5.78197 5.73203 5.79596 5.61845 5.76948 4.95587 7.12121 6.37338 5.76352 5.71609 5.13605 5.30884 5.78402 5.65363 5.73015 5.73045 5.76282 6.13708 40665 9H-Purine 5.82638 4.57687 6.303575 5.20607 4.34407 5.35989 5.575 5.53051 4.93174 4.98847 5.076195 4.86954 5.73977 5.84071 5.87654 4.22509 5.34778 4.49515 5.26806 5.46927 5.25681 5.01503 5.556555 5.29067 4.32135 5.11753 5.23611 5.309505 4.784865 5.44744 4.79455 5.52309 5.51599 5.17128 5.34994 5.815605 5.78497 5.1469 NA 5.20775 5.55475 5.60306 5.01637 5.21827 4.59978 4.68037 5.105705 5.72514 5.03734 5.52587 NA 6.73864 5.81844 5.62791 6.10553 5.70583 5.82277 5.56385 5.07512 5.26859 43486 Aporphine-2 4.184255 4.17548 4.11555 4.18786 4.10281 4.07681 NA 4.12986 4.15305 4.12018 4.030315 4.24299 4.117645 4.234545 4.435595 3.98603 4.16699 4.20245 4.12302 4.14079 4.13437 4.06626 4.07826 4.567965 4.18778 4.13293 4.22072 4.23133 4.178285 4.48323 4.115635 4.03797 4.10944 4.167455 4.16044 NA 4.412745 4.08956 4.27148 4.18824 4.23295 NA NA NA 4.15837 4.26705 4.20871 4.0524 4.180895 4.14175 4.20941 4.137275 NA NA NA NA NA NA NA NA 44185 44185 7.86956 7.11065 7.272105 7.37435 7.422825 7.519575 7.54579 7.202195 7.63487 7.5248 7.15558 7.41452 7.5199 7.38511 7.43836 7.511715 7.37299 7.44715 7.21006 7.40753 6.953845 7.499185 7.49453 7.594805 7.5083 7.065485 7.48498 7.35112 7.863895 7.47385 7.4366 6.78116 7.548455 7.591805 7.585005 7.7604 6.93056 7.48093 6.91923 7.18341 7.511105 7.51439 7.26065 6.96452 6.59761 6.786705 7.81969 7.20531 7.621275 7.51476 7.48088 6.369335 7.42242 7.05263 7.96405 7.24171 7.43644 7.54753 6.518855 7.31566 45388 Dacarbazine 5.03165 4.309765 5.04599 4 4 4 4.51867 4.4711 4 4 4 4 4.091295 4.50618 4.36744 4 4.33988 4 4.17794 4.25864 4.140835 4 4.22552 4.40644 4.247 4 4 4.20745 4.493325 4.323695 4 4.71159 4.985745 4.829255 4.6613 4.66638 4.52733 4.03198 4 4.66414 4 4 4.13644 4.363905 4.2633 4 4 4 4.823345 4.74119 4 4.18391 4 4.083935 4 4 4.50374 4 4 4 46061 Phenothiazine 5.13277 5.62158 4.95445 5.73504 5.73645 4.78907 5.73873 5.67781 4.8815 4.8565 4.81744 4.8702 5.35488 4.89602 5.13925 4.79992 5.23663 4.98597 4.886 4.85006 5.25616 5.65301 5.418235 5.07381 4.97261 5.09537 5.28869 4.858695 4.85864 4.79758 4.96964 4.84214 4.95242 5.51514 5.31193 4.9465 5.28294 4.88507 4.867825 4.96276 5.389745 5.100665 4.9096 4.85378 5.54132 4.81769 5.45754 4.87705 5.24955 5.196105 NA 4.93724 5.32575 4.78393 5.76914 5.36215 5.47507 5.44354 4.83845 5.00045 49842 Vinblastine-sulfate TU-TU-Tu 9.60206 9.60206 9.52556 9.60206 9.15739 9.504695 9.48267 9.60206 9.60206 8.793 8.00402 9.14282 9.60206 9.590345 9.064565 9.15317 9.60206 9.60206 9.13841 9.60206 9.60206 9.60206 9.21101 9.60206 9.60206 7.55309 9.60206 9.60206 6.405 8.89731 8.9645 9.60206 9.46722 9.60206 9.54935 9.60206 6.83573 9.11524 8.6368 8.29125 9.20294 9.36049 8.03202 7.77269 9.49692 9.31316 9.60206 5.603955 9.60206 9.48665 9.60206 6.559005 9.60206 9.60206 9.26707 9.60206 9.60206 9.60206 9.60206 5.60206 51143 Pyrazoloimidazole DR-anti-DNA-Ds-Nd-Rr 2.530925 2.554475 2 2.86021 2.08578 2.64052 2.73587 3.278255 2.42043 2.73216 2.519 2.35323 2.8376 2.423925 2.31896 2.34989 2.47365 2.79036 2.551275 3.37329 2.99364 2.610275 2.412115 2.493355 2.34619 2.39815 2.49816 2.32535 2.12674 2.77691 2.136165 2.25393 3.50623 2.42293 3.33369 3.04873 2.60847 2.663325 2.7241 3.36075 2.68929 3.02022 3.335395 2 2.177695 2.30808 2 2.43236 3.38347 2.81238 2.895575 3.11314 2.29612 2.51147 2 2 2.404955 2.36529 2.31468 2.48243 51148 Cadmium 4.58631 5.213035 5.03778 6.45386 4.91131 5.6901 4.1075 5.138635 6.29913 4.4172 4.997 4.26796 5.934785 4.11055 4.83145 4.25083 5.00349 4.83845 5.08343 4.10538 4.88789 4.23031 4.11034 4.25502 4.69235 4.237565 4.96995 5.09927 5.06554 3.93065 5.06313 4.97084 4.94925 4.80011 4.83178 5.2106 4.09212 4.21328 4.853775 4.957555 4.81967 5.03868 4.06797 3.99549 4.69946 4.96032 4.89227 3.99294 4.74837 5.56336 5.0275 3.88479 4.97663 4.72064 4.77076 4.92219 5.11492 5.09963 5.00785 5.00468 52745 52745 5.7279 5.6917 5.82403 5.75984 5.74116 5.73662 5.5857 5.67409 6.33131 5.44904 5.61174 5.60745 5.46758 5.14802 5.6382 5.76531 5.4888 5.77193 5.79043 5.44745 5.67518 5.54046 5.646025 5.67848 5.6911 4.91646 5.66086 6.51034 5.80157 5.60968 5.84932 5.50896 5.8052 5.76471 6.22465 5.7691 4.85744 5.7809 4.914 4.80503 5.116125 5.39779 5.42366 5.11611 5.76645 5.32235 5.80477 5.67985 6.66503 5.91826 5.86241 5.68793 5.64731 5.73313 5.7991 5.75006 5.76008 5.75325 5.74717 5.78516 53396 Actodigin 5.51325 5.697205 4.48387 5.08601 4.610575 4.74271 NA 5.17469 4.82008 4.75725 4.66417 4.58278 5.44824 5.9565 5.653425 4.72873 5.173685 5.24038 5.085925 5.53642 6.36872 4.42856 4.30103 4.78502 4.71799 4.67651 4.788175 4.413195 4.47268 4.64657 4.6923 4.30103 4.591865 4.68253 4.76905 NA 4.441375 4.85874 4.86506 7.448945 5.28522 NA NA NA 4.512475 5.070745 4.83862 4.30103 5.24311 4.83705 4.998615 4.65271 NA NA NA NA NA NA NA NA 56030 Piperazine 7.36552 7.68137 7.52277 7.915 7.37709 7.13133 8 8 7.90141 7.39064 5.993095 7.05335 7.53378 7.80636 7.500025 7.11117 7.68659 7.34898 7.1021 8 7.769195 7.53837 7.20541 7.45315 7.5161 7.626985 7.63565 7.8926 5.61287 7.25603 7.29638 7.39324 7.30169 7.54108 7.01556 7.52487 7.29641 6.954305 7.53804 8 8 8 8 7.605885 7.46967 7.09814 7.73507 4.32908 7.587035 7.29817 7.7273 8 8 7.7093 7.35861 7.84175 8 8 7.44334 4.763205 56410 Porfiromycin A2-ALK-A2-C2-Re 5.817545 5.33731 4.85471 5.70779 4.861285 6.05217 6.182065 6.2239 5.149235 6.34561 4.66881 5.1687 7 6.441165 4.864365 5.61831 5.80833 5.82612 5.300955 6.28128 5.46823 5.465775 5.46312 5.45365 5.53024 5.259955 4.853285 5.0294 4.94665 5.15494 4.93901 4.9955 5.70109 4.77805 6.16626 6.63448 4.76919 6.060835 5.24486 5.73578 4.932985 5.75122 6.32652 4.87799 4.97921 5.08703 5.31908 4.99265 6.13311 5.08124 6.15684 4.51405 4.95101 6.591095 4.392485 4.75949 4.88399 4.905395 4.914535 5.03553 58368 733-2052 4.84528 4.62363 4.64253 4.72142 4.68295 4.5931 4.86497 4.7971 4.68977 4.72514 4.565415 4.30753 7.5375 4.23454 4.562535 4.250565 4.65133 4.73128 4.59239 4.76122 4.37415 4.69563 4.45425 4.87553 4.67839 4.62975 4.86119 4.41635 4.64188 4.34897 4.33147 4 4.65451 4.66848 4.58645 4.68725 4.60493 4.55415 4 4.3594 4.4252 4.68945 4.73426 4.23703 4.60084 4.52982 4.91959 4 4.71845 4.71112 4.51037 4 4.81904 4.45392 4.67085 4.3963 4.83497 4.68834 4.66531 4.73589 58514 Chromomycin 11.80837 11.86394 11.86111 13 9.96846 11.38159 NA 11.80437 11.423535 10.40196 9.717455 10.53517 12.013925 11.61359 10.954525 11.776575 11.95937 12.62522 11.835385 11.32633 11.838375 10.280975 11.28212 10.19298 9.78317 9 10.41129 10.735845 9.81304 10.44762 9.74859 9.058895 11.11973 9.795905 10.309695 NA 9 9.82842 9.97516 11.307925 11.910695 NA NA NA 9.66541 11.735575 11.64037 9.818535 10.0145 12.16724 12.54706 10.14534 NA NA NA NA NA NA NA NA 59220 59220 7.38901 6.35795 6.23575 6.39022 6.72957 7.02521 6.51424 6.512565 6.79867 7.91983 5.86735 7.43731 8 6.4475 5.95083 6.79418 5.784055 7.19121 7.41412 6.88725 7.37545 7.23473 6.98069 8 7.3624 7.42484 7.47656 6.22022 5.90841 7.17147 6.904325 6.01059 7.08541 7.35466 7.37141 7.37899 7.39822 7.0695 6.25893 6.963475 7.45376 7.279175 7.6052 5.91316 6.05327 7.18248 7.17075 5.91835 7.18661 8 NA NA NA NA NA NA NA NA NA NA 59729 Sparsomycin 6.02106 6.33855 5.92259 5.98235 6.03275 6.179375 NA 5.95436 6.11281 6.004015 5.778675 6.17818 6.31192 5.890165 6.74367 6.32421 6.53248 6.38799 6.57338 6.36475 6.07938 5.73381 5.865245 5.71437 5.653385 5.735415 5.8732 5.88076 6.62107 5.86082 6.229735 5.89021 5.9463 5.872375 5.70994 NA 5.77719 6.122595 6.33244 5.81977 6.08109 NA NA NA 5.922875 6.010335 5.85997 5.637845 5.92595 5.78391 5.72286 5.90438 NA NA NA NA NA NA NA NA 61586 61586 0.38553 0.15689 -1.33975 -0.24906 -1.52768 -0.50829 NA -0.11607 -0.64184 -0.61829 -1.36349 -1.31926 0.60714 0.501695 0.2477 -1.337805 -0.28648 -0.6665 -0.41832 0.5885 0.65714 -1.923175 -1.16917 -0.50885 -0.44366 -1.01225 -0.66249 -1.3382 -1.64786 -0.33324 -0.77829 -0.83948 -1.34151 -1.0953 -0.87088 NA -0.387015 -0.28067 -0.20313 1.689765 0.23224 NA NA NA -1.15498 0.020315 -0.87137 -1.26284 -1.07014 -1.214705 -0.51185 -0.380275 NA NA NA NA NA NA NA NA 63701 B181008 7.52485 6.99774 7.44113 7.13644 7.23113 7.30702 NA 7.49237 7.662365 7.36164 7.08141 7.17508 7.6955 6.712285 7.11341 6.9133 7.46274 6.9727 7.62095 7.34562 7.11782 7.59931 7.18435 7.82719 7.5701 7.51302 7.33001 7.56096 7.45195 7.35039 7.21938 7.36009 7.59084 7.59573 7.61826 NA 7.14041 7.22676 6.90729 7.265515 7.57382 NA NA NA 7.19287 7.31646 7.77105 6.83491 7.75305 7.48655 7.71514 7.60556 NA NA NA NA NA NA NA NA 63878 Cytarabine (araC) DP-anti-DNA-Ds-Dp-Di-Rs 6.72091 5.04772 3.30103 4.97543 3.30103 6.663955 6.840925 5.904075 3.30103 6.896835 3.30103 3.30103 7.28399 6.86757 5.29016 5.50398 3.30103 5.44811 5.61782 4.92001 4.523925 3.30103 3.30103 6.79239 4.17941 3.30103 3.30103 3.30103 3.30103 6.174885 3.30103 3.30103 7.30103 3.79032 7.30103 7.07069 5.57136 5.70015 5.175005 6.01952 3.30103 6.371995 6.6703 3.30103 3.30103 3.30103 3.30103 5.04239 6.7785 3.30103 6.909695 5.9022 3.64191 5.666245 3.30103 3.30103 3.805865 5.34402 3.30103 3.30103 65346 7H-Pyrrolo[2 7.57075 7.0082 7.63637 6.99755 6.98517 7.06788 NA 7.49231 7.48171 7.20609 6.93397 6.94492 7.26036 6.95511 7.405355 6.72572 7.37748 6.91745 7.059145 6.80138 6.841795 7.38272 7.26296 7.60716 7.53318 7.40317 7.26558 7.42004 7.26398 7.44666 6.90085 7.6939 7.63012 7.44841 7.56266 NA 7.30151 7.32664 6.827675 7.569215 7.42679 NA NA NA 6.969295 7.11034 7.54795 7.38895 7.69642 7.15809 7.29683 7.47789 NA NA NA NA NA NA NA NA 65381 Acetylenedicarboxamide 5.37575 5.09664 4.87659 4.793335 5.04883 4.095605 NA 4.84765 4.84227 4.12214 4.730955 3.727195 4.4715 4.21451 5.77404 3.911135 4.35099 4.50147 3.92389 4.84493 4.714765 4.74877 4.061885 4.78647 5.48365 4.57608 4.32221 4.633345 4.507665 5.03745 4.04603 3.93998 5.67401 5.538135 5.40783 NA 4.66376 4.7991 4.395535 4.9569 5.15882 NA NA NA 5.333195 4.29801 4.8257 4.74144 5.76046 5.56249 4.67075 5.01188 NA NA NA NA NA NA NA NA 67586 2-Naphthacenecarboxamide 6.18603 6.09519 6.66337 5.63911 5.775 4.47102 6.27839 6.55071 4.69177 4.29656 4.78089 4.56746 4.60219 6.27319 5.88501 4 5.24788 5.51359 5.95664 5.43085 6.15875 4.34441 4.193585 5.95972 6.3651 4.44661 4.3378 4.44662 5.063825 6.03891 4.29578 6.1928 6.6061 6.31606 6.46866 6.50086 6.32211 6.08492 4.03616 6.30226 6.285525 6.196465 4.50018 5.63926 5.82712 5.763255 4.67684 4.70949 6.63132 6.56512 4.17956 5.625 5.46577 5.89726 6.05364 5.70037 6.34462 6.40646 5.17357 5.26974 68075 Thalicarpine 5.108555 5.01882 5.028635 5.10415 5.03349 5.01127 5.79945 5.02039 5.00621 4.964735 4.89713 5.061765 5.060785 5.042415 5.37636 4.75467 5.121705 5.12159 4.99124 5.01955 5.10669 5.2699 5.13015 5.20772 5.0497 4.98859 5.10625 5.042535 5.03015 5.08966 4.98528 4.79486 4.96525 5.33406 5.10319 5.293565 5.24252 4.818635 5.011455 5.117905 5.22483 5.186985 4.97342 5.108785 5.13055 4.89098 5.247225 4.83426 5.19034 5.0719 4.84688 4.94121 4.95322 4.765175 5.137155 5.2199 5.169975 5.13215 5.186435 5.02957 68091 Ethylene 5.238735 5.73772 4.72703 4.74732 4.82345 4.77236 5.48537 4.76177 5.74481 4.68355 4.9301 4.75806 4.69249 4.75269 5.71963 4.73563 4.83229 4.76179 4.75828 4.74609 4.74345 4.7171 4.767225 5.19679 5.742 5.42885 4.75032 4.99062 5.5983 5.41059 4.73515 4.74956 5.88691 5.62099 5.7204 5.75922 4.74272 4.69376 4.744335 5.70047 5.261 4.75502 4.99367 4.84376 5.07954 4.7001 5.79043 4.75732 5.68376 5.74168 4.92569 5.15795 4.7711 4.76151 4.7221 4.61869 4.74305 4.81889 5.44225 5.71451 69187 AT 6.54129 5.77998 5.66653 5.91943 5.54925 6.414665 NA 5.91305 6.10223 6.61613 5.94403 6.57287 7.50251 5.90869 6.14922 6.10244 5.93251 6.16321 6.43314 6.278265 6.22057 6.64759 5.54878 7.37913 7.054325 6.615815 6.71699 6.32419 6.53737 7.03202 6.5347 6.05808 6.974725 6.78001 7.50116 NA 5.78433 6.4634 5.88913 5.929675 6.32154 NA NA NA 5.726945 5.84569 6.61563 5.914255 6.336665 6.44974 6.52579 6.82837 NA NA NA NA NA NA NA NA 69603 Quinoline 6.34829 5.682585 NA 6.55413 6.24095 6.47244 6.36466 6.41074 6.61352 6.11431 6.29966 6.19604 6.45125 6.347025 5.96877 6.15964 7.281 6.42371 6.26416 6.45984 6.64154 6.48484 6.12593 6.37489 6.47373 6.43777 6.53464 6.60465 5.62838 6.12561 6.04237 6.34696 6.45918 6.4354 6.29766 6.336415 6.53325 6.15782 6.33878 6.20551 6.43003 6.31959 6.32465 5.57948 6.29037 6.35158 6.5633 5.91449 6.549335 6.3478 6.39612 6.6138 6.22947 6.27928 6.19273 6.49936 6.66364 6.70964 6.24584 5.74841 70092 Purine-6-thiol 6.42266 5.207275 5.16612 4.87656 4.760845 5.318915 6.192055 5.68735 5.472405 4.325965 4 4.697425 5.114045 5.691285 5.89545 4.109945 5.39123 5.0084 5.24938 5.394585 5.34969 5.37328 5.3884 5.43911 5.158735 5.229895 5.07154 5.37896 4 5.426655 4.88037 6.08771 5.608335 5.737385 5.565285 5.518565 5.29275 4.5925 4.20071 5.5217 4.42241 5.43855 5.074365 5.60685 5.188315 4.23873 5.207375 5.024735 5.39897 5.43059 5.61186 5.268305 5.510155 4.71626 5.078545 5.178315 5.86426 5.8949 4.836345 4.326855 71261 beta-2'-Deoxythioguanosine DI-anti-DNA-Di 6.4486 5.915405 5.89644 5.49626 5.03742 5.94311 6.44944 6.42899 6.10945 5.428695 5.979 5.24761 6.2561 6.21888 5.638575 4.08095 5.419325 5.04798 6.12856 6.09513 6.174795 5.980055 5.836725 6.292585 5.79937 5.86085 5.7521 6.13194 6.16372 6.2782 5.3426 6.296725 6.551545 6.26302 6.43124 6.90309 6.122965 5.888745 5.40616 6.24642 6.197005 6.51394 6.0229 6.440945 5.35516 4.88543 5.68949 6.245085 5.6833 6.37419 6.26962 6.22943 6.15476 6.422305 6.204455 5.08475 6.31958 6.37929 5.39462 5.55614 71795 6H-Pyrido[4 6.26602 5.79167 5.60408 5.82492 5.834245 6.26781 NA 5.821395 5.95406 6.330185 5.981865 6.453775 6.85299 5.967915 5.87753 6.05084 5.79521 5.98783 6.148015 6.10553 5.93937 6.22595 5.544615 6.526285 6.43603 6.36134 6.29898 6.00497 6.07193 6.37269 6.03932 5.85691 6.35972 6.36011 6.55665 NA 5.722885 6.1056 5.87156 5.8944 6.16021 NA NA NA 5.69783 5.86586 6.193495 5.88336 6.06101 6.18208 6.17807 6.263845 NA NA NA NA NA NA NA NA 71851 alpha-2'-Deoxythioguanosine DI-anti-DNA-Di 4.622035 3.64714 3.76623 3.503095 2.52703 3.72424 4.04288 4.25539 3.79296 3.60128 3.59563 3.41642 4.07296 3.868585 3.49773 2.78076 3.36282 3.50701 3.65685 3.94538 3.71921 3.77472 3.911365 3.93725 3.597105 3.84661 3.70449 3.942565 3.90514 3.92591 3.7027 4.25192 4.63924 4.18072 4.33 4.43824 3.857615 3.56477 3.668 3.94547 3.71515 3.923245 3.752645 4.027715 3.586495 3.397955 3.75874 3.850535 3.78296 4.55772 3.96448 4.28146 3.828015 4.09204 3.602615 3.325165 3.69371 3.72287 3.09968 3.94111 72055 Sulfonium 5.54301 5.06999 5.3041 5.367 4.97026 5.35346 5.2894 5.19406 5.4729 4.93856 5.31647 4.85835 5.21025 5.3389 5.71181 5.09409 5.24623 5.24926 5.17451 5.29545 5.18022 5.467005 5.36118 5.205955 5.035475 4.81488 5.47404 5.32796 5.21678 5.35251 5.79555 4.9762 5.5262 5.40191 5.306045 5.06094 4.91839 5.411205 4.85336 5.80366 5.5803 5.77237 5.34075 5.50229 5.37603 5.750505 5.88995 5.11398 5.52156 5.38287 5.04455 4.356005 5.80157 5.79397 7.90722 NA 5.47367 5.91069 5.6599 6.28683 72151 Coumarin 5.22464 4.98076 4.81833 5.151245 4.787705 5.76745 5.55923 5.698885 6.712975 5.45558 5.15004 4.77831 7.77443 5.6946 4.75899 5.03913 5.36092 5.05402 5.30033 6.075335 5.34314 5.321995 5.68253 4.38992 4.80141 5.058955 5.14037 5.546445 4.81264 5.12714 4.8395 5.92983 6.08044 4.5953 6.49216 6.46103 5.99283 5.12159 5.69431 6.32552 6.12165 6.56002 6.38488 5.62212 5.18013 5.46805 5.70235 5.54668 5.804365 5.1413 5.48823 5.08228 4.75399 6.11409 4.532875 4.544125 4.951935 4.96457 4.924725 5.27566 73306 73306 5.48188 4.62474 4.26394 5.28902 4.36583 4.8777 4.44522 5.2756 4.72747 5.25928 5.03875 4.59469 5.45451 4.911835 4.20848 4.45378 4.11152 5.21752 4.757155 5.54167 5.15757 5.12739 4.65617 5.29695 5.16272 6.09443 5.18066 4.05562 4.96507 5.22474 5.03412 4.70111 5.57031 5.3507 5.35708 5.06972 5.34455 4 4.23737 5.2585 5.06337 5.18452 5.2508 4.65111 4.22844 5.12113 5.13036 4 5.58957 4.50326 5.04732 5.79463 4.77674 4.867275 4.45016 4.59375 4.24877 4 5.323605 5.098385 73735 Benzoic 6.0195 4.497535 4.72716 4.67083 4.517505 4.86867 4.520535 5.95338 5.056995 5.329245 4.158345 4.7931 5.74205 5.07976 4.56898 4.912705 4.650855 5.498305 4.707745 4.88021 5.233785 4.512155 4.80664 6.100175 5.12443 6.126135 5.122595 4.899175 4.58733 5.0905 4.72222 4.84825 5.723885 6.02772 5.986995 6.13558 4.94563 4.80588 4.326295 5.19296 4.699605 5.391575 5.059275 4.261385 4.67989 4.86485 4.15321 4 5.798765 5.55507 5.29403 4.335105 5.69782 5.06294 4.86281 4.94647 5.0659 4.998615 4.80045 4.952135 73754 Fluorodopan A7-ALK-A7-Cp 3.52105 3.47298 3.32135 3.384085 3.37147 3.464185 3.43197 3.49273 3.86595 3.25237 3.317755 3.26001 3.710065 3.28443 3.88863 3.21913 3.36151 3.40326 3.48834 3.364365 3.462265 3.368365 3.44127 3.38367 3.48988 3.37424 3.31629 3.32045 3.46658 3.39682 3.347 3.26235 4.09172 3.349385 4.23216 4.099365 3.2466 3.38608 3.30275 3.46699 3.566645 3.35369 3.66952 3.31987 3.29326 3.20089 3.38805 3.28227 4.17373 3.52867 3.5697 3.33898 3.43245 3.26263 3.297435 3.14825 3.3895 3.3967 3.50527 3.55249 77036 Fangchinoline 5.0898 4.53437 4.60256 4.98137 4.58155 4.54437 NA 4.58089 4.596425 4.5578 4.58754 4.437655 4.5989 4.414575 5.22287 4.32884 4.555355 4.66824 4.51986 4.54826 4.753665 4.69566 4.65051 4.95486 4.77983 4.76847 4.691945 4.64243 4.62481 4.60774 4.59475 4.39958 4.56373 5.17336 4.94522 NA 4.68436 4.58057 4.60842 4.688155 5.03514 NA NA NA 5.050715 4.388035 4.778755 4.36787 4.73613 4.76414 4.53027 4.52458 NA NA NA NA NA NA NA NA 77037 Tetrandrine 5.17528 5.02949 5.07242 5.119355 5.08176 5.00716 6.04063 5.0217 5.101 5.06419 5.0119 5.07416 5.1094 5.04624 5.2873 4.9571 5.14213 5.121925 5.10434 5.05385 5.14997 5.276965 5.24068 5.31884 5.13523 5.09333 5.15846 5.12576 5.12191 5.09106 5.057735 5.017445 5.18644 5.641935 5.2369 5.68968 5.197325 5.03493 5.08763 5.24692 5.25082 5.173485 5.072665 5.02764 5.15143 5.01774 5.26062 4.997505 5.11835 5.19247 5.081825 5.02533 5.07862 5.10162 5.178185 5.03546 5.358325 5.184195 5.12615 5.02147 79037 Lomustine (CCNU) AC-ALK-A6-C2-Ca 4.99879 4.1155 4.09856 4.19847 4.14139 4.13882 4.22347 4.85028 4.5228 4.23157 4.03312 4.090615 4.49644 4.088255 4.284105 4.2431 4.398775 4.44135 4.615395 4.47376 4.6618 4.21249 4.11322 4.36655 4.46376 4.52626 4.125935 4.12501 4.13576 4.21498 4.19097 4.054585 4.85815 4.64631 4.71651 5.01316 4.08089 4.28079 4.099385 4.32471 4.189735 4.56131 4.165975 4.11268 4.16329 4.17487 4.18992 4.04294 4.809555 4.750115 4.29629 4.22503 4.16718 4.12049 4.304055 3.92932 5.20372 4.249515 5.27857 4.44571 80466 1H-Naphth[2 7.08272 6.90953 6.94858 7.42456 5.99601 7.45448 6.50802 6.79282 7.71317 6.96712 7.0532 6.58943 6.95364 6.82535 6.10249 7.13657 6.45283 7.29511 8 6.37585 7.48172 7.7688 6.96778 7.46071 7.24633 6.5091 6.68784 8 7.37959 7.41004 7.4783 6.44397 6.64621 6.3656 7.35945 6.58398 5.88806 7.45531 6.495115 5.93222 6.091345 6.237605 6.39439 6.41375 7.48968 6.48998 8 6.45807 7.39279 7.08822 NA 5.61546 7.45764 6.69268 7.31308 6.24764 6.84609 6.78049 6.64436 7.43003 80469 1H-Naphth[2 7.15223 6.92764 6.80896 7.09957 6.57956 6.98267 6.514285 6.71523 7.73877 6.22481 6.65077 6.40734 6.48624 6.4609 6.55895 6.595445 6.43435 6.88775 7.13197 5.92825 7.37948 6.84621 6.62557 7.28715 7.35783 5.47147 7.13907 8 7.44289 7.29684 8 6.594425 7.27655 7.40405 7.27707 7.01877 5.39764 7.450525 6.21443 5.40847 6.498725 6.29323 5.58067 6.33208 7.48149 5.98679 8 6.29685 7.81255 7.308075 7.287495 4.27131 6.51926 6.41175 6.58442 5.7203 6.73082 6.64882 6.61785 7.401125 80756 Quinoline 6.210145 6.25552 6.61297 6.44629 6.102205 6.05625 6.300035 6.38839 6.51166 6.13763 5.71185 6.26749 6.40809 6.2352 5.92874 6.21654 6.43763 6.36881 6.21027 6.45023 6.47295 6.45068 6.15906 6.40763 6.20082 6.42007 6.33271 6.51767 5.15046 6.10359 6.14537 6.289415 6.33615 6.43139 6.22233 6.23859 6.03105 6.218645 6.282245 5.94322 6.37339 6.29453 6.07086 5.62295 5.17485 6.08696 6.48509 5.273325 6.44639 6.244755 6.429595 6.3966 6.26766 5.81724 6.15326 6.6581 6.806045 6.70021 6.38461 6.18314 80870 Hydrouracil 5.34962 4.45407 4 5.10903 4.98798 5.17208 4.63091 5.50484 4.649135 5.96698 4.11036 4.76794 6.33766 5.83815 4.53243 4.20251 5.12824 4.60569 5.93632 5.55952 6.70685 4.70934 6.45093 5.17124 4.51841 4.89947 4.62119 5.00838 4.228115 5.39604 4.74961 4.00258 5.452125 4.41892 4.87461 5.29841 4.96164 4.93681 6.08583 4.70246 4.42969 5.17896 5.57416 4 4.15174 4.054155 4.72203 4.09659 4.85906 4.68733 6.28402 5.17916 4.30629 5.31687 4 4.68571 4.46747 4.70561 4.60242 4 81052 Streptonigrin 5.481775 5.64575 4.74364 4.994775 4.86056 5.43061 5.53891 5.17357 5.75003 4.77705 4.80394 4.77677 4.78313 4.8124 5.889195 4.77881 4.87971 4.84738 4.82918 4.8099 4.78153 4.74838 4.766305 5.68283 5.71142 5.05509 4.79046 5.37115 5.74166 5.67165 5.35 4.78707 6.39802 5.65243 5.99658 5.627385 4.82489 4.824 4.765525 5.25348 5.41511 4.81094 5.37696 4.711 5.24142 4.6908 5.72335 4.69766 6.0177 5.72946 5.73993 4.9984 4.80983 4.68132 4.90771 4.73325 5.6727 5.71072 4.96489 5.67207 82151 Daunorubicin T2-T2-T2-Db-In 7.6018 7.26218 6.58208 7.18791 6.57608 7.18766 6.77042 7.14954 7.254545 7.240745 6.1612 6.44532 8.30103 7.627605 7.13677 7.40551 7.05513 7.57692 7.10699 7.18522 7.26399 7.09281 6.732855 7.6139 7.66457 6.103375 6.85337 6.747905 6.422155 7.24177 7.02184 6.82967 8.033835 7.362715 8.30103 8.30103 6.285415 7.44565 6.78539 7.017305 6.86563 7.57341 7.492955 6.39489 6.68602 7.44034 6.79955 6.665035 8.068485 7.57497 8.30103 5.207335 7.094955 7.006385 6.656925 6.81452 6.66057 6.77795 6.72565 7.18364 83265 Trityl-cysteine TU-TU-Uk 6.06521 6.120735 6.38804 6.31625 4.87366 5.96167 6.50906 6.20064 6.41348 6.17539 6.22188 6.352045 6.35499 5.9125 4.87024 6.14242 6.09998 6.326195 6.01027 6.51686 6.46467 5.536335 6.29679 6.37742 6.25722 6.182535 6.194725 6.123715 5.36499 6.13494 5.84148 6.229575 6.32614 6.28903 6.11597 6.41318 4.66989 6.07724 5.93825 5.838735 6.34543 6.25772 4.78876 4.69146 6.06934 5.28722 6.311795 4.82797 6.36298 6.34543 6.33946 5.308455 6.15714 5.152135 6.4022 6.23198 6.66922 6.41196 5.93241 6.2413 83292 6H-Pyrido[4 6.30583 6.015665 6.0798 6.45948 5.85093 6.26449 NA 6.28357 6.575855 6.22815 6.44542 6.25188 6.395405 6.14127 5.95962 6.15161 6.45132 6.30269 6.122205 6.51813 6.20281 6.43145 5.991535 6.25993 6.43121 6.38434 6.30288 6.47947 5.92012 6.15564 6.01775 5.928635 6.3483 6.51085 6.44481 NA 6.10596 6.61162 5.91219 NA 6.409885 NA NA NA 6.25549 6.31515 6.34127 4.55254 6.53719 6.27123 6.38572 6.57475 NA NA NA NA NA NA NA NA 85235 10.alpha.H-Ambrosa-2 5.74115 5.6751 5.3939 5.39277 5.647 5.56782 5.65251 5.74685 5.99357 5.08522 4.88747 5.3501 5.41189 4.72704 5.38742 4.92442 5.02428 4.91443 5.29072 4.99809 5.47813 5.69432 4.921705 5.77825 5.73396 5.740025 5.62678 5.62422 5.12482 5.69584 5.2747 4.47089 5.79661 5.64768 5.5857 5.821825 5.30604 5.41617 4.91726 5.61501 5.73589 5.72209 5.7617 5.5151 5.705005 5.42592 5.72622 5.37066 5.849705 5.65116 5.40714 5.85124 5.34781 5.59663 5.65943 5.5906 5.7614 5.75147 5.78709 5.60985 85700 Quinolinium 5.992965 5.070975 4.952025 5.039695 5.12253 5.163575 5.05193 5.402155 5.713115 5.028105 4.82398 5.12775 5.60486 5.327855 4.895465 5.020945 4.8135 5.461575 5.759645 5.06043 5.46784 5.15561 5.53281 5.541895 5.56557 5.006035 5.53184 6.451055 5.528605 5.83664 5.18803 5.10764 5.9832 5.759455 6.192725 5.95561 4.47045 5.15205 4.913405 5.39483 4.88698 5.48993 5.30291 4.991625 5.420055 4.85795 5.37473 4.707965 4.76929 5.26844 5.13256 4.30498 4.596805 4.492885 4.47865 4 4.517345 4.61971 5.080825 4.772035 86100 86100 5.17139 5.18288 5.09572 5.18481 5.16513 4.78352 NA 5.0812 4.9045 4.8187 4.52792 5.06883 5.05772 4.3298 5.07147 4.8656 4.89825 4.87507 4.7688 4.93372 5.19037 5.125465 4.63619 5.22434 5.088375 4.914825 5.072005 5.915145 4.799575 4.94099 4.72125 4.43565 5.11335 5.1851 5.11411 NA 4.611825 4.68026 4.903795 5.00352 5.11017 NA NA NA 5.17459 4.6264 5.134625 4.64192 5.23399 4.94262 5.0473 4.91086 NA NA NA NA NA NA NA NA 86715 86715 5.87546 5.44431 5.58251 5.77825 5.39903 5.739245 NA 5.69879 5.68545 5.507145 5.446035 5.50544 5.64625 5.554195 5.612825 5.406445 5.48169 5.610405 5.41174 5.59046 5.6203 5.53484 5.47206 5.69026 5.617595 5.791725 5.55314 5.60374 5.36089 5.57967 5.56575 5.518205 5.52951 5.85072 5.60414 NA 5.71563 5.50103 5.57159 5.660135 5.605975 NA NA NA 5.533885 5.577595 5.695495 5.49445 5.689165 5.57619 5.65111 5.823375 NA NA NA NA NA NA NA NA 87206 6H-Pyrido[4 5.605965 5.25013 5.1976 5.33573 5.48134 5.362705 NA 5.245415 5.52004 5.496955 5.3521 5.52025 5.70934 5.33907 5.23262 5.21415 5.30538 5.546655 5.35644 5.32225 5.58266 5.20088 5.299995 5.63059 5.64545 5.411525 5.329085 5.34658 5.185645 5.41843 5.25583 5.21989 5.5 5.584705 5.63677 NA 5.33816 5.445295 5.40078 5.462485 5.50272 NA NA NA 5.315 5.15259 5.65155 5.37058 5.54212 5.550775 5.639535 5.47528 NA NA NA NA NA NA NA NA 88468 ETAMYCIN 4.422345 4.353415 3.90309 4.57675 3.90309 4.03945 NA 4.29796 3.90309 4.23671 3.90309 4.16412 4.96189 3.90309 4.01667 3.911445 4.37864 4.25244 4.290295 4.03202 4.11223 4.38158 4.07372 4.55053 4.36772 3.90309 3.991765 3.96994 3.97605 4.11733 4.651785 3.90309 4.03797 4.19821 4.16 NA 3.99684 4.18854 3.90309 4.09833 3.90309 NA NA NA 4.302845 4.140875 4.16778 3.90309 4.275225 4.29526 4.85194 3.90309 NA NA NA NA NA NA NA NA 89671 Cyanein 7.75082 7.73999 7.47994 8.21969 7.58018 7.529525 7.432865 7.589325 6.842085 7.391665 7.46737 7.331695 6.918175 7.19405 7.083565 7.02867 8.03396 7.17387 7.476675 7.285935 7.56529 7.61839 7.01059 7.63906 7.53679 7.33459 7.76657 7.53791 7.48917 7.513275 7.00909 7.37582 7.4544 7.303785 7.42436 7.46233 7.597035 7.07547 7.758515 7.485165 7.81721 7.75328 6.90253 7.489865 7.599325 7.49874 7.76825 7.387975 7.05653 7.221035 7.64301 7.50996 7.28805 6.70139 7.66738 7.95833 7.45399 7.42698 7.03178 6.95301 91874 p-Benzoquinone 5.29355 5.27245 5.30417 5.30205 5.21758 5.23463 NA 5.43028 5.13228 5.23463 5.14805 5.130075 5.55045 5.2152 5.32329 5.17699 5.158015 5.332505 5.40657 5.2288 5.15707 5.101715 5.219 5.05248 5.01542 5.21028 5.20672 5.2929 4.92882 5.21267 5.07156 5.05654 5.350925 5.06607 5.197785 NA 5.25674 5.31159 5.21741 5.180265 5.05844 NA NA NA 5.20637 5.233065 5.16195 5.089805 5.3492 5.35855 5.117415 5.200655 NA NA NA NA NA NA NA NA 92937 1H-Benzo[a]carbazole-1 5.54698 5.449115 4.83349 4.816715 4.856895 4.889215 4.948075 4.84092 5.725225 4.58617 4.74936 4.6698 4.728745 4.723175 5.59453 4.693035 4.7573 4.85456 4.794225 4.753425 4.816395 4.88167 4.97384 5.439585 5.699625 5.356375 4.618585 5.115535 5.71903 5.16053 4.79743 4.77036 6.248715 5.7333 6.177355 6.1255 4.87986 4.91192 4.34523 5.413695 5.594855 5.445115 5.587275 5.395515 4.911915 4.765575 5.614775 4.7573 6.307055 5.613935 5.480755 5.28669 5.251965 4.79695 5.17171 4.73513 5.29168 5.165825 5.155835 5.484675 93134 Hellebrin 7.7896 7.66636 7.71943 8.18906 7.41989 8.4119 7.67773 7.57073 8.47622 8.25836 8.244325 7.902825 8.169135 8.03158 7.52012 7.348065 7.714425 7.621645 8.35668 8.04428 8.14302 7.657615 7.47268 8.31321 7.682545 7.710375 7.51191 8.474485 8.116575 7.866385 7.69144 7.583175 8.22897 7.51258 8.48336 8.22146 7.596485 8.236475 7.55425 7.88155 7.81136 8.34565 8.37416 8.46022 7.627955 7.65123 7.56832 7.63392 8.321965 7.71943 7.80977 7.778775 8.02816 8.57686 7.4211 8.1849 7.96962 7.65125 8.29283 7.78035 93419 Steffimycin(USAN 5.676455 6.095925 5.48649 5.845395 5.40775 5.56943 NA 5.676045 5.61631 5.417255 5.4001 5.618825 5.676215 5.391785 5.43129 5.53169 5.27536 5.48049 5.69842 5.62836 5.58683 6.01031 5.54914 5.87043 5.95354 5.5741 5.52143 6.26083 5.96281 5.82982 5.55726 5.47625 5.44656 5.24899 5.7997 NA 5.546795 5.66286 5.49498 5.853365 5.73506 NA NA NA 6.128925 5.47263 6.112795 5.395395 5.54761 5.42691 5.56662 5.414625 NA NA NA NA NA NA NA NA 93739 Basic 5.65968 5.61863 5.56413 5.89594 5.11553 5.44747 5.37592 5.37154 5.61618 5.49618 5.32577 5.39637 5.67549 6.3117 5.45341 6.23594 6.10426 6.36771 6.255485 6.28266 6.26503 5.46276 5.52261 5.46095 5.48679 4.87053 5.63017 5.57846 5.073555 5.8899 4.77136 5.54372 5.41885 5.55611 5.19479 5.31368 4.81826 6.56955 4.48792 4.77585 5.145465 5.94362 5.02873 5.03702 5.37722 5.52061 5.85206 4.89567 5.493375 5.60714 5.505335 4.93195 5.45932 5.26846 5.201135 6.30616 5.388825 5.32604 6.085635 5.997145 94600 CPT T1-T1-T1 7.63805 6.768895 6.46891 7.52587 6.685125 7.66723 7.68451 8 7.74759 7.899025 6.939955 6.769625 8 8 7.21967 7.835875 7.46352 8 8 8 8 7.256995 6.68834 7.71354 7.492425 6.85542 6.88388 6.74523 6.637095 7.59498 6.68315 7.675975 8 7.22152 8 8 7.57459 7.94061 7.6173 8 7.62289 7.67047 7.93415 5.87847 7.196695 7.885415 6.57351 6.98894 8 7.56446 8 8 7.19132 8 6.02817 6.08842 7.18153 6.83799 6.93993 7.64661 94743 Cucurbitacin 6.69548 6.4786 7.038805 6.510855 6.777 6.26225 6.400585 6.23152 6.578825 6.40829 6.50603 6 6.40474 6.576545 6.56887 6.60895 6.809625 6.613955 6.43594 6.497255 6.538365 6.480615 6.48209 6.312545 6.39899 6.297755 6.05567 6.367425 6.43107 6.21756 6.15191 6.39787 6.56622 6.35794 6 6.186585 6.493255 6.360715 6.67052 6.623975 6.717005 6.498925 6.542835 6.68402 6.463455 6.54799 6.55477 6.1465 6.50056 6.44799 NA NA NA NA NA NA NA NA NA NA 95382 "CPT,20-acetate" T1-T1-T1-Pr 5.94781 5.47425 4 5.78662 4.854675 5.87666 5.90827 6.59722 5.92278 5.95252 5.14888 5.33271 6.55725 6.56431 4.79079 6.05095 5.84844 6.56748 6.23204 6.07529 6.33359 5.439505 5.41837 5.6204 5.32843 5.18446 5.09791 5.03473 4.38251 5.59608 5.2159 5.68522 6.788625 5.5087 6.57898 6.55927 6.0749 6.22824 5.61165 5.97402 5.47535 6.24857 6.31055 4 5.29196 5.99166 4.13848 5.61418 6.376405 5.37671 NA NA NA NA NA NA NA NA NA NA 95441 Semustine (MeCCNU) AC-ALK-A6-C2-Ca 4.709235 4.34633 4.331 4.39817 4.34495 4.274105 4.39454 4.969365 4.32937 4.21672 4.092725 3.94134 4.41195 4.241385 4.40833 4.43885 4.41488 4.51967 4.575 4.56525 4.55002 4.269145 4.3448 4.38694 4.493745 4.350315 4.255275 4.35866 4.33397 4.31126 4.40211 4.03334 4.59333 4.352 4.46685 4.976345 4.28483 4.360185 4.25634 4.340715 4.369485 4.506915 4.31397 4.225315 4.32669 4.199555 4.344315 4.23392 4.38598 4.43635 4.34616 4.30776 4.33332 4.010215 4.303455 4.22446 4.430675 4.346035 4.3441 4.3144 95466 PCNU AC-ALK-A6-C2 4.33081 3.64687 3.578815 3.67647 3.40596 3.57831 3.506665 4.779115 3.634405 3.81766 2.90309 3.25923 4.09355 3.80423 3.62698 3.95497 4.126415 4.27169 4.37035 4.65021 4.293095 3.133975 3.14472 3.69978 3.78643 3.52329 3.56408 3.03849 2.90309 4.157885 3.50421 3.193175 4.04538 3.659225 4.23779 4.9526 3.12418 3.64734 3.65588 3.56692 3.616435 4.223365 3.33637 3.367195 3.460845 3.356235 3.605155 3.039855 4.12834 3.67489 3.46447 3.57617 2.99223 3.45534 3.51376 3.48949 3.712225 3.62613 3.63048 3.59435 95580 Acetamide 2.21515 2.55509 2 2.15859 2.12829 2 2.2386 2.33861 2.53919 2.30823 2 2 2.09952 2.20705 2.090045 2 2.52433 2 2 2 2.12397 2.23193 2.23421 2 2 2.214095 2 2 2.04912 2 2 2 2 2.11562 2 2.00926 2.22222 2 2 2.3211 2 2 2 2.303795 2.03724 2.02314 2.129835 2 2.44325 2.34938 2.41005 2 2.076315 2 2 2.3113 2.17779 2.123605 2 2.245525 95678 3-Hydropicolinaldehyde-thiosemi DR-anti-DNA-Uk 5.91558 5.58291 4.51154 5.948955 5.34665 6.260135 6.370795 6.19573 5.7595 5.511155 5.58851 5.54859 5.87571 5.915865 6.19273 5.57352 5.5604 5.65406 5.87705 6.18609 6.44154 5.62079 5.47385 5.62467 5.76855 5.75282 5.520695 5.739505 5.48891 6.07993 5.605305 5.34447 6.09937 5.65897 6.05118 6.38159 5.9262 5.96149 5.62905 6.0343 6.12691 6.485265 6.59117 5.35339 5.63184 5.46868 5.47619 5.54003 5.98641 6.021025 6.073475 6.08764 5.99326 6.31448 5.38168 4.46012 5.87514 5.772165 5.80064 5.46141 98542 Pseudocoralyne 3.712705 4.245455 3.52288 4.16134 3.90123 3.794275 NA 4.51385 4.9578 3.52288 3.52288 4.40111 3.81184 4.534845 3.648115 3.52288 5.51045 5.46066 5.80621 3.52288 3.978475 3.791415 3.98523 3.89648 3.69633 3.55396 3.85819 4.51814 4.597485 4.89326 3.83549 3.52288 4.31671 3.774585 3.52288 NA 3.52288 5.7544 3.52288 3.52288 3.52288 NA NA NA 4.169305 4.96551 4.73731 3.52288 4.21635 3.533585 3.76232 3.52288 NA NA NA NA NA NA NA NA 98949 9-Methylellipticine 6.050745 5.76019 5.756205 5.78047 5.76433 5.912755 5.77621 5.772895 6.00363 6.04703 5.808185 6.2705 6.424185 5.87192 5.94408 5.89775 5.78179 5.887085 6.06343 5.91937 5.90986 6.02356 5.810455 6.439335 6.44673 6.23474 6.15004 5.953075 5.95274 6.234815 5.9723 5.834925 6.433055 6.337685 6.49921 6.27666 5.78268 5.985 5.81697 5.86921 5.88764 NA 5.96412 5.41917 5.81507 5.81158 5.99772 5.86516 5.83651 5.879025 6.04498 6.26856 NA NA NA NA NA NA NA NA 99733 Reumycin 3.95141 4.349205 3.92521 4.044685 3.33854 3.88641 NA 4.411775 3.720255 4.09569 3.893 3.53918 4.51556 4.467685 4.5847 4.281815 4.561315 4.55032 4.04762 4.0042 4.16768 4.03463 4.22912 4.52668 4.17219 3.49969 4.22507 4.094515 3.8285 4.14247 4.51591 3.813735 3.66759 3.66737 3.75142 NA 4.38744 3.798905 3.994955 4.77878 4.651035 NA NA NA 4.137175 4.58225 4.239425 3.569795 4.72336 4.05701 3.65693 3.69214 NA NA NA NA NA NA NA NA 100045 100045 -0.411765 -0.62103 -0.41758 -0.38119 -0.33609 -1.10461 NA -0.3758 -0.76668 -0.55104 -0.4716 -1.24617 -0.72893 -0.452905 -0.52133 -1.254705 -1.143845 -1.022155 -0.64812 -0.628395 -1.14167 -0.54621 -1.06717 -0.60932 -0.62506 -0.61816 -0.71047 -0.73885 -0.76599 -0.601155 -0.70887 -1.27433 -0.71591 -0.50749 -0.59589 NA -0.4018 -0.85083 -1.17006 -0.41527 -1.078295 NA NA NA -0.38601 -0.5352 -0.77731 -1.02901 -0.188635 -0.76759 -0.77249 -0.68294 NA NA NA NA NA NA NA NA 100046 Elephantopin 6.13572 5.680605 5.36186 5.33692 5.763135 5.82414 NA 5.47565 6.16158 5.04163 5.41959 5.34166 5.30301 4.31875 5.823455 4.97802 4.95499 5.286345 5.41519 5.25993 5.415585 5.3623 5.28464 5.953895 6.12488 6.05294 5.40162 5.87595 5.33366 6.16203 5.34461 4.90519 6.40076 5.92439 6.09518 NA 5.31286 5.392725 5.263345 5.64416 6.20265 NA NA NA 5.71732 4.96074 6.07035 5.20167 6.28682 6.22607 5.830555 5.952095 NA NA NA NA NA NA NA NA 102004 CATHARANTHINE 4.260025 4.300255 4.36305 4.42981 4.277265 4.33114 NA 4.356075 4.3527 4.285995 4.3243 4.38452 4.27967 4.324235 4.85728 4.27631 4.30877 4.33024 4.26765 4.3669 4.30642 4.42242 4.27978 4.450375 4.38305 4.349175 4.34824 4.377 4.4335 4.34066 4.35268 4.18137 4.25781 4.36554 4.4163 NA 4.449085 4.32872 4.33316 4.67138 4.424535 NA NA NA 4.271295 4.90686 4.41506 4.348495 4.57545 4.62552 4.350665 4.341355 NA NA NA NA NA NA NA NA 102627 Yoshi-864 A7-ALK-A7-C2 3.0623 2.76817 2.64116 2.8205 2.61596 2.89733 2.837655 3.407895 2.71503 3.12944 2.648435 2.67373 3.72987 3.16803 2.81749 2.78954 2.77203 3.004655 3.0804 3.32868 2.815105 2.738635 2.769355 2.8647 2.820725 2.72767 2.72305 2.69029 2.63751 2.71121 2.60495 2.65028 3.480935 2.71813 3.656265 3.74798 2.607795 3.222425 2.76758 3.213675 2.7154 3.044135 3.342475 2.636975 2.71683 2.65857 2.76391 2.65776 3.61244 2.82238 3.183455 2.75255 2.91427 3.157585 2.537825 2.58694 2.64408 2.604045 2.82446 2.94026 102811 1H-Pyrazolo[4 6.91862 6.403475 6.9315 5.716865 5.637295 5.94025 NA 5.71552 6.74237 6.25684 7.05265 7.17095 6.98227 7.226475 7.22175 6.832105 6.45904 5.8432 6.2324 6.58653 6.26822 6.70157 7.42597 7.14741 6.81279 7.3158 6.69673 7.12964 6.256085 7.42597 6.05639 7.16544 5.49547 6.97351 5.27223 NA 7.17611 7.102975 6.254825 7.19958 6.811745 NA NA NA 5.70349 6.78899 5.74287 6.54394 7.386965 6.90656 7.170365 7.14472 NA NA NA NA NA NA NA NA 102815 7-o-Methylnogalarol 6.3736 6.53111 6.549315 6.43366 6.20955 6.42017 NA 6.59715 6.389965 6.354225 6.238725 6.54835 6.85921 6.38945 6.8339 6.492705 6.54357 6.415865 6.276515 6.50993 6.44294 6.34485 6.57894 6.69941 6.74238 6.16161 6.305805 6.453105 6.74462 6.68951 6.4309 6.22451 6.65898 6.470845 6.85055 NA 5.7987 6.49321 6.54193 6.58904 6.39476 NA NA NA 6.440795 6.50701 6.486015 6.29001 6.848155 6.70763 6.37068 5.6808 NA NA NA NA NA NA NA NA 102816 Azacytidine RO-anti-RNA-Di-Me 6.41456 6.07142 6.60206 5.80718 5.89531 5.55158 6.337855 6.350935 6.10684 6.02586 5.53694 6.07498 6.60206 6.314215 5.54715 5.6732 5.67486 6.02682 5.88541 5.83877 6.05805 6.00347 6.16641 6.60206 6.120245 5.98267 6.07927 6.08507 6.26851 6.24478 6.16516 5.649375 6.28435 6.1969 6.018515 6.10766 6.12698 6.22586 6.02143 6.601415 6.21027 6.00134 6.366145 5.932945 5.76244 6.05206 6.17231 5.43025 6.60206 6.60206 6.063835 5.93718 6.18234 6.548945 6.37146 6.09298 6.245345 6.18254 6.14906 6.60206 102817 Elephantin 5.62335 5.60707 5.33984 5.160975 5.33909 5.50152 NA 5.53541 5.78867 4.721865 5.1736 4.89908 5.1688 4.60491 5.59215 4.702625 4.692775 4.82535 4.82478 4.86061 5.358585 5.36632 4.75748 5.67906 5.80466 5.715425 5.274825 5.730605 5.344395 5.627485 5.01487 4.654105 6.07476 5.599595 5.66694 NA 5.239405 5.49651 4.88943 5.51895 5.67991 NA NA NA 5.68194 4.6399 5.78311 4.76626 6.37844 5.986475 5.49752 5.63287 NA NA NA NA NA NA NA NA 104801 Cytembena 4.73011 4.74304 4.91878 4.74174 4.66741 4.64798 4.290515 5.046045 5.00488 4.38358 4.41605 4.39129 4.607815 4.728945 4.504835 4.27776 4.319145 4.80619 4.51109 4.49292 4.69453 4.26088 4.71991 4.62381 4.67659 4.733295 4.82161 4.74013 4.61262 4.7776 3.90895 4.06689 4.95647 4.491795 4.6706 4.28975 4.56851 4.48877 4.5174 4.48307 4.80042 4.537965 4.10505 3.9379 4.68147 4.547955 4.74166 4.4583 4.55393 4.822765 5.09042 4.69376 4.088355 4.19854 4.270015 4.37026 5.087295 4.31228 3.61674 4.302355 105014 Adenosine 5.62101 4 4 5.21773 4 6.021055 NA 6.50251 4.74384 5.46709 5.82803 4.101275 5.290685 6.48181 6.029305 6.04991 4.49939 4.980515 4.48684 4.043395 4.83175 4.50581 4.614795 5.394415 4.18893 4 4 4.598005 4 6.89847 4 4.253395 7.062755 4.86495 6.78114 NA 6.27387 5.99837 5.646195 6.176525 4.84342 NA NA NA 5.67124 4.79591 4 5.84295 7.12573 4.07265 5.147105 7.15223 NA NA NA NA NA NA NA NA 106399 19-Nor-9.beta. 7.90014 7.47375 7.60449 7.38293 7.6722 6.65335 7.38479 7.19741 7.43662 7.49499 7.13839 6 7.518575 7.2308 7.44912 7.20603 7.67242 7.48718 7.53848 7.40083 7.64479 7.55018 7.43637 7.54177 7.41481 7.50145 6.188535 7.36411 7.5785 6.66963 7.53269 7.31264 7.515 7.19721 6.57518 7.13453 7.49154 7.12864 7.613895 7.65315 7.64995 7.49648 7.50697 7.39682 7.42887 7.545295 7.4619 6.04667 7.51629 7.47796 7.01663 7.32587 6.58641 7.5814 7.26975 7.32451 6.21933 7.28586 7.56884 NA 106408 1H-Pyrrolo[2 7.88984 7.54532 7.75089 7.74732 7.70236 7.55792 7.96218 7.947725 7.7002 7.512265 7.60657 7.16625 7.56852 7.67252 7.70941 8 7.69614 7.5925 7.67324 7.47335 7.675415 7.76078 7.20517 7.6109 7.74013 7.518135 7.68504 7.46809 7.41267 7.64785 7.5625 7.30903 7.71679 7.42471 7.63719 7.631135 7.807005 7.51403 6.70566 7.214 7.72773 7.6689 7.66911 7.53367 7.3076 6.92344 7.62261 7.42462 7.41342 7.49364 7.58157 7.72097 7.63426 7.45261 8 7.986095 7.95938 7.97992 8 7.438045 107124 "CPT,10-OH" T1-T1-T1 8.08003 7.244505 6.353855 7.61545 6.784195 7.927995 NA 8.12494 8.12494 7.21423 7.052995 6.97418 7.78629 8.12494 7.31171 8.12494 7.85439 8.12494 8.12494 7.65481 8.12494 6.80213 7.13059 7.806605 7.58857 6.6025 6.93271 7.25071 6.83604 7.964795 6.3009 7.64213 8.12494 7.22837 8.12494 NA 7.784315 8.049125 6.94298 8.12494 7.333295 NA NA NA 7.38615 8.0964 6.49621 7.547745 7.64571 6.593195 8.12494 7.71949 NA NA NA NA NA NA NA NA 107392 5-Hydroxypicolinaldehyde-thiose DR-anti-DNA-M2 5.33372 5.16952 4.058305 5.17867 4.67257 5.05151 5.28299 5.42626 5.39486 4.388445 4.916045 5.078355 4.6335 5.302545 5.20492 4.85704 4.77045 5.21116 5.27544 4.559625 5.50939 4.54834 4.891415 5.14995 4.878575 5.0115 5.07914 5.54052 5.08184 5.46327 4.69971 4.59645 5.701475 5.20901 5.45574 5.81179 5.018405 5.24693 4.48402 4.97805 5.093665 5.3308 5.73748 3.947425 4.66087 4.629975 4.97821 4.52728 5.40113 5.02751 5.42617 5.37943 5.13498 5.489675 4.62028 3.518575 5.05652 5.032625 4.20976 5.298285 107658 Cytochalasin 6.22725 4.88673 4.6266 5.00753 4.6462 5.22859 4 4.608685 4.8782 5.57667 5.19142 4.49488 5.5851 6.036205 6.412925 4.8852 7.009195 5.61919 5.88207 5.95553 6.30997 5.29442 4.27875 5.09217 4.59869 6.19643 4.27392 5.129695 5.07469 5.3474 5.31211 4.53947 5.60577 5.08577 5.434545 4 6.48529 5.409995 5.70824 6.465035 5.94271 5.11756 5.35732 5.39243 4.59921 5.65537 6.140085 4.18949 4.64552 5.718035 4.81735 4.77265 5.42536 4.5223 5.27544 5.23026 4.66193 4.84688 4.81337 5.53541 109229 L-Asparagine -0.06403 -1.23499 -0.04615 -0.821735 0.06238 -0.45346 -0.78553 -0.52028 -0.04036 0.022665 0.22549 -0.135085 -0.05195 0.18998 -0.51567 -0.64313 -0.81817 0.02818 -0.41212 -0.03227 -0.252295 -0.47529 -0.44004 -0.50415 -0.65746 -0.570225 -0.2058 -0.994275 -2.39794 0.11218 -1.20162 -0.22938 1.60206 -0.76131 1.60206 0.476895 -0.69544 0.41564 0.288645 0.015255 0.03518 -0.16797 -0.5782 -0.67837 -0.54362 -0.06868 -0.42062 -0.05137 0.39936 -0.27729 -0.12563 0.50584 -1.33751 -0.60297 -0.92963 -0.86781 -0.96131 -0.879715 -1.3059 -1.07733 109350 Emetine 5.72375 5.76591 5.56908 5.76381 5.69148 4.90932 5.73219 5.20294 5.71449 5.32387 5.11898 5.20613 5.64752 5.49085 5.58168 4.9651 5.587085 5.67471 5.2425 5.54035 5.65328 5.69893 5.57959 5.80543 5.51528 5.60676 5.64097 5.77632 5.768715 5.49939 5.762465 5.478605 5.5305 5.54493 5.63391 5.6581 5.54832 5.5225 5.17667 4.99525 5.57395 5.58413 5.44901 4.9435 5.75214 4.87405 5.80539 4.7614 5.67896 5.67144 5.63652 5.78866 5.50613 5.61646 5.66486 5.68245 5.74934 5.70512 5.47374 5.73257 109351 5 5.787835 5.34143 5.00404 5.45345 4.87305 5.342225 NA 5.293605 5.51192 5.19457 5.20938 5.19211 5.84245 5.34987 5.113805 5.09526 5.02665 5.402615 5.298985 5.23328 5.37642 5.23396 4.89738 5.64202 5.59498 4.98891 5.153025 5.120275 5.25885 5.56973 5.52582 4.91995 5.703325 5.47209 5.886795 NA 5.102865 5.299325 5.46088 5.19923 5.138555 NA NA NA 4.95299 5.14617 5.56606 4.92111 5.54615 5.63706 5.98344 5.21543 NA NA NA NA NA NA NA NA 112152 2H 6.51814 5.668305 5.788325 5.678625 5.977695 6.10198 NA 5.90514 6.13317 5.38657 5.74823 5.51577 5.69763 5.13787 5.748435 5.51121 5.491085 5.58292 5.594805 5.60378 5.559295 5.62882 5.60899 6.22086 6.29736 6.06075 5.614655 6.163065 5.62753 6.27018 6.02427 5.35457 6.401805 6.18985 6.313565 NA 5.55763 5.60089 5.60397 5.79786 6.40623 NA NA NA 6.174 5.631935 5.966695 5.49986 6.50348 6.395475 6.00471 6.17108 NA NA NA NA NA NA NA NA 112167 19-Norlanosta-1 6.568575 6.48316 6.567355 6.51711 6.705785 5.81149 6.516615 6.185575 6.56262 6.5626 6.026465 5.30325 6.538675 6.386075 6.57632 6.49356 6.71827 6.683425 6.59048 6.54642 6.635095 6.46029 6.52481 6.411635 6.3731 6.59003 6.029035 6.389725 6.519945 5.834795 6.555 6.43454 6.584485 6.32019 5.799375 6.38655 6.703165 6.33822 6.70633 6.63599 6.67675 6.649795 6.591465 6.63528 6.49816 6.59112 6.5647 5.39715 6.59759 6.48139 NA NA NA NA NA NA NA NA NA NA 113764 U 5.2365 5.24405 5.39411 5.47793 5.25372 5.21489 5.46409 5.39758 5.613335 5.11752 5.03231 4.79848 5.41422 5.1485 4.05 5.193145 5.555365 5.4311 5.20157 5.28119 5.440855 5.419325 4.91974 5.38238 5.47654 5.50282 5.217335 5.59491 4.739185 5.24666 5.21077 5.46143 5.37831 5.68374 5.31762 5.40744 5.129505 5.26537 5.245835 5.47026 5.40315 5.34082 5.16794 5.11041 4 4.98746 5.64341 4.83854 5.66222 5.42262 5.29484 5.62434 5.4771 5.03958 5.15875 5.44962 6.010595 6.2646 NA 4 117180 Scillirosidin 7.19517 7.27249 7.14399 7.60206 7.203565 7.60206 NA 7.335585 7.60206 7.60206 7.48399 7.50836 7.60206 7.356305 7.288655 6.960785 7.19894 7.10938 7.60206 7.462675 7.49499 7.0402 6.973115 7.60206 7.461155 7.33835 7.128055 7.60206 7.318545 7.60206 7.07298 7.0938 7.60206 7.19681 7.60206 NA 7.18911 7.551165 7.009955 7.60152 7.60206 NA NA NA 7.26399 7.038385 7.09509 6.86826 7.366455 7.25246 7.17035 7.49468 NA NA NA NA NA NA NA NA 117188 117188 5.06431 5.44577 4.136 5.15039 4.19795 4.868795 4.70554 4.76944 5.352115 4.67161 5.59406 4.59135 5.07917 4.88328 NA 4.31187 4.95569 4.8485 5.07026 4.95752 4.77737 5.20655 4.4848 4.49912 4.24121 4.5331 5.19151 4 4.91906 4.99065 5.97486 4.65074 4.336825 4.61385 4.32143 5.22207 4.79488 4.14145 4.56786 4.898515 4.49644 4.75133 4.92485 4.7949 4.2602 4.48049 4 4.41232 4 4.77043 4.63067 4.98945 4.38196 5.00368 5.30407 5.14176 4.69974 4.67826 4.55341 4.71591 117194 117194 4.96753 4.86745 4.70121 5.48257 4.9595 5.44859 5.17192 4.72553 4.811175 5.46127 5.45933 4.93057 5.42345 5.32493 NA 4.80441 5.13131 4.45082 4.7102 5.25118 4 5.13784 4.88698 4.68378 4.42897 4.75822 5.066 5.38855 5.13708 4.99589 6.48736 4.67816 4.92677 5.07483 4.29236 5.13093 4.89412 4.94674 4.552675 5.11348 4.48481 4.83708 5.41696 5.32408 5.0884 4.867515 5.05194 5.21281 4.5386 5.08457 4.89776 5.14564 4.97302 5.2822 5.67911 4.84982 4.85969 4.99467 4.512755 4.75935 117917 117917 5.39139 5.016455 5.00466 5.159485 4.27136 5.41238 4.79717 5.07882 6.059595 5.34825 5.69662 5.03281 5.32444 5.50771 5.62351 4.57823 5.30918 5.62624 5.28601 5.27753 5.673555 5.36239 5.29586 4.95916 5.23352 5.11301 5.26741 5.1974 5.67032 5.41383 5.85675 5.53293 5.19836 4.9944 4.83739 5.59643 5.45695 5.46162 4.505 5.54602 5.43719 5.63455 5.54552 5.43791 5.05863 4.987935 4 4.79767 4 5.15745 5.39395 5.32384 5.34602 4.87396 5.65923 5.601 4.69669 4.85227 4.691375 5.53766 118742 Pentamethylmelamine 2.964715 2.86229 2.841755 2.91205 2.88525 2.90777 2.878575 2.975065 2.88425 2.79455 2.86317 2.85551 3.1172 2.9164 3.15449 2.91712 2.94698 2.952235 2.78205 3.240805 2.892965 3.32199 2.90644 3.14031 2.809615 3.04504 2.856025 2.94069 3.17908 2.86738 2.92045 2.79073 2.1287 3.085095 3.00284 2 3.09428 2.89073 3.02955 3.026455 3.012685 2.537545 2.58348 2.776425 2.8202 2.93419 2.877775 3.0305 3.2567 3.11779 2.78666 2.94518 2.90235 2.7811 2.93379 2.97473 2.98062 3.026355 2.95813 3.18378 118994 Inosine-glycodialdehyde DR-anti-DNA-Uk 4.00344 3.49401 3.454 3.41959 3.41721 3.6028 3.275145 3.40504 3.831505 3.111425 3.43446 3.37124 3.17994 3.185665 3.58255 3.15291 3.21139 3.120685 3.363915 3.16562 3.16351 3.373355 3.407905 3.80382 3.85961 4.15802 3.47577 3.82694 3.47425 3.4298 3.77194 3.20656 4.10823 4.11276 3.97891 3.79125 3.36965 3.53049 3.15177 3.42879 3.54591 3.226365 3.29524 3.23599 3.42732 3.23693 3.48028 3.20905 4.478125 4.13468 4.121845 3.3559 3.40817 3.63009 3.93023 3.26803 3.62991 4.03794 3.36323 4.06288 119875 Cisplatin A7-ALK-A7-C1 5.75486 5.73754 5.07841 5.4124 5.138155 5.98138 5.550535 5.784585 5.52435 5.32778 4.943765 5.040055 6.11622 5.593315 5.28546 5.32508 5.50978 5.62449 6.05623 5.92509 5.712955 4.963395 5.1063 5.1906 5.20551 5.03838 4.90482 5.45923 5.76648 5.1967 5.65768 5.07786 5.81575 5.08895 5.77467 6.15103 5.24592 5.18793 5.00676 5.6295 5.26167 5.7323 5.704275 4.91054 5.195575 5.138265 4.84675 5.123795 6.29571 5.19095 5.47088 5.22787 5.179875 5.65766 4.740675 5.13424 5.15693 5.18072 5.20942 4.810845 122301 1H-Pyrido[4 4.750125 4.751345 4.704095 4.75173 4.767505 4.19191 4.762945 4.561765 4.7376 4.020425 4.290875 4.4561 4.70537 4.48441 4.73714 4.09989 4.2488 4.654885 4.31706 4.53059 4.671105 4.763095 4.811695 4.69576 4.616075 4.596275 4.48228 4.428705 4.42485 4.27192 4.42229 4.13498 4.595 4.72382 4.64642 4.659135 4.645325 4.434145 4.60019 4.457185 4.459955 4.65828 4.46978 4.621565 4.73779 4.45674 4.77308 4.59244 4.81823 4.623285 4.76631 4.44301 4.59568 4.50817 4.57405 4.48845 4.6403 4.65629 4.51558 4.82601 122750 Geldanamicin 7.06309 7.352285 6.2532 6.37308 6.88624 7.34238 6.43916 6.92859 7.831705 5.11155 4.96072 4.96054 5.91807 5.191875 6.372035 4.88176 5.419705 5.1856 6.040415 4.961825 6.66301 7.79577 5.851295 7.19236 8 6.520255 6.50772 5.988045 5.78268 6.60711 6.05658 5.74715 7.434855 8 7.4569 7.58973 6.51501 7.29943 4.80016 5.40405 7.231965 7.050895 6.322985 6.93629 6.75164 5.50461 8 4.964675 7.829685 7.17082 7.51142 4.95102 6.05555 6.704875 7.36383 5.83533 7.07116 7.38703 5.21568 7.249 122819 Teniposide T2-T2-T2 6.76244 6.18809 6.010515 6.407825 5.828735 6.33676 6.23591 6.53179 6.24462 6.80984 6.07452 5.33735 7.901195 6.858515 6.92574 6.720035 6.24627 6.78019 6.324875 6.78951 6.5279 5.84531 6.203765 6.04541 6.438285 5.761345 6.134605 5.81005 5.26794 6.21827 5.599305 6.17124 7.2667 6.15513 7.77599 8.58685 5.38403 6.48476 6.287335 7.05074 6.155715 6.59096 6.63749 5.83345 5.66774 6.09525 6.38913 5.75264 7.27573 6.83111 7.29338 4.60206 5.921125 6.455605 5.8649 6.38031 5.904725 5.98971 6.27722 6.79117 122864 Styrene 5.71395 5.43436 5.11157 5.39475 4.98525 5.44522 5.78502 5.55736 5.76226 4.81269 5.25343 4.772135 5.42564 4.8884 4.80587 4.94328 4.74429 5.6523 5.36543 4.74346 5.69918 5.14587 5.462095 5.35312 5.72587 5.88383 5.6265 5.7208 5.44793 5.61417 5.43767 4.681075 5.50947 5.63458 5.97203 6.03038 5.42481 5.54882 4.7839 4.91132 4.98181 5.78807 5.1928 5.42113 5.64694 4.72644 5.73133 4.78107 5.61952 6.076555 5.786275 5.56496 5.27524 4.87105 5.64459 5.02468 5.66997 5.66169 5.66045 5.68649 123115 T 5.80679 5.26098 5.00666 5.92936 4.65627 6.14857 NA 6.3832 5.27523 6.35163 5.203135 5.406275 7.39723 6.52556 5.04115 5.662815 5.78426 5.604555 5.258435 5.67324 5.299055 5.14974 5.4016 5.45308 5.45155 5.37258 5.032555 5.04251 5.1585 5.0141 5.29386 4.84311 5.494745 4.93539 5.96523 NA 4.38022 5.615695 5.28667 5.23336 5.09115 NA NA NA 5.31566 5.231635 5.35625 4.889045 6.60927 5.238825 7.52288 4.05819 NA NA NA NA NA NA NA NA 123127 Doxorubicin T2-T2-T2-Db-In 7.30854 7.148295 6.51598 7.130645 6.47513 6.94782 6.631485 7.149525 7.19364 7.039205 6.19914 6.28299 8.60206 7.228665 7.026575 7.21116 7.03994 7.27969 6.9707 6.99374 7.124235 6.676575 6.56379 7.11139 7.0465 5.84093 6.504315 6.29347 6.13308 6.81925 6.89075 6.587055 7.39052 7.028795 8.00555 7.78565 6.12831 7.02061 6.7949 6.75929 6.549425 7.22922 7.12049 6.2593 6.55784 7.30286 6.57343 6.145145 7.250365 7.269345 7.72946 4.73697 6.57545 6.90791 6.33764 6.523315 6.50742 6.52207 6.45805 6.96347 123976 Neriifolin 8.91908 9.36879 8.62321 8.76941 8.36789 9.41428 8.36052 8.54157 9.820625 9.37571 9.34738 8.65835 9.2881 9.56919 8.43646 9.0265 9.316075 8.62993 9.31862 9.34529 8.99763 9.211175 8.0267 8.88914 8.73109 8.45611 8.56063 9.45875 9.55287 8.54234 9.27887 8.54775 9.53905 8.70165 9.283 10 8.72889 9.67633 8.06364 9.24535 NA 9.357825 9.80897 9.065845 8.34001 8.225315 8.36417 8.38948 9.37835 8.43759 9.118965 9.26284 9.140025 10 8.783475 10 10 10 9.367195 9.201575 125066 Bleomycin 6.68316 6.402015 4.60206 6.052385 4.60206 6.1692 5.829475 6.331875 6.18192 6.14153 4.60206 4.68449 7.156035 7.060625 7.04214 5.354565 6.43235 6.12383 5.847525 6.966465 7.736795 4.84293 4.901835 6.40186 5.04489 5.398725 4.67462 5.28916 5.280755 5.41577 5.541605 5.13722 5.109855 5.004515 5.878235 7.6253 6.27725 6.055865 5.35377 7.60916 6.58167 5.90576 8.273465 4.87744 4.84706 6.613705 5.19803 5.580705 5.264095 4.60206 5.56871 6.149145 5.04171 5.33427 4.60206 5.62912 4.60206 4.62899 5.05293 5.234955 125973 Paclitaxel---Taxol TU-TU-Tu 7.5404 7.314775 7.2204 7.94079 7.31826 7.461235 7.466845 7.55137 7.81547 7.407155 6.53323 7.39313 7.8351 7.2008 6 7.30643 8.20873 7.573635 7.53196 7.05661 7.713495 8.034785 7.55095 8.207 7.51153 6.281935 7.896925 7.54343 6 7.50907 7.45607 7.37271 7.48643 7.51623 7.47477 7.630825 6 7.423895 6.550935 6.2547 7.34341 7.34083 6.12428 6.62953 7.10235 7.296905 7.65835 7.43593 7.74642 8.300865 7.81158 6 7.40785 7.40306 7.225955 7.8056 8.3025 8.364925 7.424305 7.010545 126728 Ver 9.98334 9.325395 8.887425 9.63428 9.150965 8.692295 9.131965 8.754625 9.67829 8.786965 8.35617 8.22427 9.524615 9.37363 8.962195 8.915765 8.77226 8.98713 8.607865 8.761135 9.211555 9.461765 9.59924 9.56223 8.87557 9.604025 9.55193 9.138275 8.75926 8.74548 8.840925 8.64865 9.53688 9.57307 9.567695 9.35514 8.695325 8.52962 8.75423 8.52548 8.54389 9.069535 9.181685 8.920395 9.17188 9.043585 8.87482 8.54181 9.733405 9.1108 9.32544 8.99887 8.66861 8.64176 8.462025 8.66901 8.773225 8.95546 8.73699 8.923535 126765 B633407K028 7.69897 7.69897 7.189585 7.69897 7.65956 7.69897 NA 7.40765 7.69897 6.37892 7.29025 6.519375 7.32141 7.282445 7.59291 7.31215 7.33031 7.69897 7.36224 7.28786 7.69897 7.323535 7.225335 7.69897 7.305195 7.20583 7.55707 7.58413 7.11616 7.34996 7.64559 6.41935 7.40119 7.69897 7.69897 NA 6.503135 7.164105 7.201225 6.77102 7.47303 NA NA NA 7.341035 7.23846 6.713805 6.57986 7.69897 7.53738 7.69897 5.56795 NA NA NA NA NA NA NA NA 126771 Dichloroallyl-lawsone RO-anti-RNA-Rs-Ds-Nr 5.734455 4.93593 4.47787 5.244375 4.53049 4.68857 4.53223 5.50025 4.93919 5.3694 4.32057 4.49998 5.85011 4.91386 4.386455 4.923625 4.385565 5.65223 4.65737 5.50286 4.9351 5.465295 4.52533 5.88475 4.944725 6.11214 5.166385 4.825725 4.835575 5.27107 5.150885 4.389425 5.623065 5.75954 5.76818 5.97673 4.667065 4.83481 4.42622 4.720575 4.4694 5.254925 4.918905 4.43224 4.6317 4.4623 4.58549 4.36643 5.701865 5.69263 5.04012 4.596535 5.11897 4.665735 4.896275 4.36419 4.77248 4.80301 4.743845 4.64153 126849 3-Deazauridine 4.736865 3.53094 2.60206 3.58363 3.62929 3.65484 3.620045 4.20631 3.366395 4.97614 2.60206 3.72306 6.01995 4.247835 3.40985 2.97568 2.646205 3.53725 3.52221 4.11555 4.11332 4.6222 3.60789 5.830445 4.505745 4.82837 4.60493 3.25717 3.03003 4.331625 3.72762 2.67028 5.28385 5.77037 5.07955 5.3766 4.52084 5.00529 3.09664 4.877815 3.08943 4.82204 4.367545 2.649595 2.94589 2.77 4.579365 2.60206 5.18541 5.50101 5.278485 3.98785 3.77628 4.885655 3.252195 3.27663 3.976635 4.157185 2.60206 3.70064 127755 Triazinate 5.89308 5.18019 5.0762 6.08351 5.28015 5.40076 5.641155 6.57127 5.27099 6.09588 4.74761 5.30162 6.52593 5.276755 5.14214 5.34401 5.02873 5.8541 5.87889 5.76633 5.72424 6.06553 5.22664 5.92536 5.62395 5.61183 5.44643 5.40656 4.7521 5.56652 6.44136 4.07065 5.868325 6.47799 6.22025 7.30103 4.20992 6.04206 4.511245 5.52722 4.91115 6.779105 5.627175 4.29713 5.34634 4.68044 5.29154 4.19192 6.44184 5.51431 5.688045 4.178725 6.09243 5.515135 4.98003 4.130725 5.34802 6.03837 5.17142 4.98175 128895 128895 6.29334 5.821875 5.89767 5.7809 5.778155 5.89411 NA 5.99361 5.962335 5.825 5.74623 5.70368 6.07105 5.724905 6.00151 5.83508 5.921455 5.84097 5.697425 6.04428 5.94042 5.95773 6.01507 6.12647 6.03708 6.00947 5.98149 5.962895 6.15277 5.672355 6.06405 5.912655 5.88449 6.433475 5.904985 NA 5.96254 5.772795 5.91409 5.94199 5.96808 NA NA NA 5.939095 5.9347 6.17648 5.875395 6.31485 5.944835 6.0191 6.13041 NA NA NA NA NA NA NA NA 129943 ICRF-159 3.566185 4.05141 3.12799 3.76025 3.12494 3.79935 3.6549 3.48076 4.0323 4.38687 3.640925 3.31826 4.938995 3.92076 3.73328 3.576165 3.34975 3.64037 3.464955 4.02312 3.160055 3.90772 3.28525 3.958345 4.28857 3.98196 3.32528 3.388475 3.5371 3.370525 3.488825 3.36197 4.424595 3.6453 4.52221 3.16612 3.31826 3.85918 3.64475 4.00104 3.15118 4.02009 3.67866 3.90138 3.12494 3.930795 4.71638 3.40618 4.13966 3.576345 4.38706 3.543815 4.22607 3.88479 3.818155 4.1188 3.262755 3.54227 3.13628 3.42562 132313 Dianhydrogalactitol A7-ALK-A7-C2 4.65496 4.08721 3.82391 4.21294 3.82391 4.63271 4.81604 4.973865 4.13314 4.64003 3.82391 3.82391 5.420225 4.77561 3.82391 4.04345 4.34864 4.47651 4.42548 4.873665 4.37016 3.82391 3.99671 4.25041 3.82391 4.00179 3.82391 3.88954 3.82391 4.06216 3.82391 4.13509 5.05458 3.890355 5.23086 5.715355 3.85332 4.611615 3.82391 4.67708 3.992195 5.101245 5.3469 3.998295 3.902 3.96636 3.82391 3.88108 5.2747 3.902695 4.90423 4.19363 4.38402 5.0299 3.84713 4.02884 4.336585 4.551115 4.52982 4.646025 132791 Butyric 7.757455 7.81593 7.427105 7.71654 7.54556 7.35102 7.266585 7.06434 7.94276 5.775925 5.740195 5.867995 7.25501 7.11098 7.31308 7.326725 6.72998 7.47422 7.025315 6.67905 7.86205 6.81624 7.39279 7.519615 6.884765 6.97653 6.75998 7.26265 6.70649 7.00056 7.427425 5.94652 7.30911 7.557905 7.773985 7.78121 6.330045 6.783115 6.02255 6.491595 6.545135 7.122005 6.58359 6.56502 7.204445 6.66097 5.85449 6.42332 7.59917 7.480615 7.203025 7.710825 6.339165 6.08445 6.023675 6.77683 5.854805 6.372275 6.63996 6.75409 133100 Rifamycin 4.763625 4.38656 4.6127 4.39698 4.66686 4.75827 4.811565 4.719465 5.187205 4.42629 4.35163 4.39511 4.6636 3.718365 4.77581 3.93571 4.34986 4.2636 4.64066 3.86808 4.57584 4.724065 4.685195 4.9069 4.90894 4.73807 4.58756 5.31291 4.741205 4.79013 4.678 3.78223 5.44276 4.98414 4.89123 5.39504 3.91277 4.770485 4.44439 4.45356 4.797015 4.81682 4.7539 4.69849 4.78753 4.37238 5.57519 4.582785 5.029155 5.19475 4.813215 4.59678 4.797575 4.72383 4.63391 4.55341 4.700625 4.829205 4.53753 4.7171 135036 SCILLIGLAUCOSIDIN 7.515945 7.63665 7.61723 7.67015 7.28404 8.223405 NA 7.46616 8.58016 8.1109 7.45108 7.62651 8.0863 8.82344 7.14055 7.21981 7.46862 7.468 8.816415 7.56443 7.930355 7.399085 6.92941 8.25894 7.61981 7.43863 7.36559 8.22189 7.69306 7.58585 7.6308 7.42034 7.95122 7.609315 8.55607 NA 7.4634 8.07501 7.579905 7.95841 8.71479 NA NA NA 7.48563 6.75127 7.27313 8.196115 8.16887 7.587105 7.60863 7.70742 NA NA NA NA NA NA NA NA 135037 3a.beta. 5.93373 5.98616 5.61854 5.76779 5.82736 5.83367 6.26674 5.6882 6.59947 5.46707 5.78816 4.99811 5.57967 5.0395 5.81948 4.76185 5.51925 4.97348 5.253115 4.88035 6.07137 5.79524 5.58887 6.26881 6.26449 5.9319 5.80335 6.64719 5.82037 5.79426 5.88098 4.89467 6.63507 5.820265 6.55604 6.63184 5.78174 5.8037 5.50884 6.07122 6.14601 6.24261 5.72571 5.691985 5.72099 4.80489 5.92799 5.57524 6.53174 6.48678 6.62308 6.45188 5.57593 5.2396 5.92056 5.52805 5.92594 5.84498 6.05998 6.26361 135075 19-Norlanosta-5 6.5461 6 6.108235 6.177445 6.268605 6.598595 6.34785 6.40169 6.68057 6 6.207665 6 6.28985 6 6.575625 6 6.579125 6.0383 6.42995 6 6.545205 6.46368 6 6.598595 6.569385 6.47427 6.334575 6.44921 6.07147 6.476855 6 6 6.62937 6.553035 6.52675 6.72285 6 6.387115 6 6.4318 6.57032 6.66097 6.26004 6.325145 6.246605 6.006485 6.48361 6 6.632815 6.584635 NA NA NA NA NA NA NA NA NA NA 135687 5.beta.-Bufa-20 5.85734 6.05232 5.343025 6.16624 5.39663 6.31112 NA 5.54643 6.303045 6.292375 6.011835 6.05549 6.21507 6.079285 5.57166 5.33367 5.89641 5.69854 6.17749 5.937565 6.13665 5.79733 5.48082 6.156155 5.96737 5.636645 5.470555 6.2112 5.676535 5.99103 5.514425 5.42809 6.19058 6.06813 6.37006 NA 5.64444 6.105965 5.80699 6.10322 6.22756 NA NA NA 5.48068 5.26656 5.36867 5.346385 6.30483 6.069275 5.66839 6.12325 NA NA NA NA NA NA NA NA 135688 135688 6.20327 6.28127 5.558615 6.36991 5.60108 6.44337 NA 5.98219 6.49204 6.622725 6.27672 6.31441 6.545205 6.271355 6.1887 5.79317 6.02443 6.02781 6.45421 6.30257 6.39381 5.96008 5.86147 6.335115 6.20432 5.97633 5.64577 6.36352 6.06814 6.2895 5.9479 5.67156 6.44282 6.17379 6.613725 NA 6.13036 6.37099 6.071385 6.45802 6.4222 NA NA NA 5.8993 5.62316 5.439915 5.504595 6.53785 6.23636 5.84732 6.36626 NA NA NA NA NA NA NA NA 135758 Piperazinedione A7-ALK-A7-C2 6.66624 5.9233 5.50518 5.90325 5.5103 6.6553 6.81625 7 5.95141 6.58163 5.43171 5.20964 7 6.69686 5.834545 5.85122 6.061035 6.45612 6.45977 6.81094 6.343755 5.60443 5.763005 6.026 5.766035 5.74202 5.39474 5.585965 5.57969 5.97107 5.35164 5.82511 7 5.65076 7 7 5.73717 6.74477 5.64113 6.51439 5.875975 7 7 5.354725 5.52327 5.75869 5.69416 5.703385 7 5.58245 7 5.880275 5.8834 7 5.65339 5.296015 5.972885 6.1368 5.78908 6.65317 136036 AT 4.73515 5.22368 5.56602 4.52028 5.705825 4.572935 5.03436 4.87597 5.864385 4.58453 4.34489 4.678905 4.718285 4.80143 5.084155 5.21292 4.69519 4.991845 5.32028 4.607305 4.82337 4.751675 4.77943 4.726075 4.83935 4.60044 5.196945 4.512605 4.853345 4.773025 4.6247 5.35187 5.204795 5.37688 4.74073 4.62037 4.55086 5.4671 4.60826 5.015865 5.44975 5.282325 4.541565 4.511835 4.528715 4.65048 4.648465 4.5354 4.80747 5.63512 4.41503 4.81465 4.929955 4.550495 4.941675 5.51781 4.58441 4.637715 5.29958 5.33806 136037 AT 5.841195 6.5303 6.636545 6.11067 6.741295 5.43583 6.46686 5.95759 6.62902 5.663665 4.67196 5.73448 6.19753 6.36124 6.49894 6.27875 6.20312 6.14813 6.4347 5.831875 6.148735 6.15585 5.91901 5.92299 6.034235 5.56901 6.38405 5.442835 6.16245 5.975785 5.709005 6.38491 6.435315 6.36251 5.765485 5.64445 5.569385 6.42494 5.956085 6.402645 6.371385 6.40207 5.49969 5.53521 5.501535 6.06646 5.57111 5.710845 5.97316 6.559805 5.40136 6.20152 6.113855 5.676945 5.983225 6.526165 5.653605 5.708695 6.11169 6.299 136044 Rhodomycin 7.64255 7.43356 7.75146 7.47133 7.40713 7.23043 7.38111 7.59733 7.8502 7.53834 7.25936 7.34239 7.54827 7.384 7.20321 7.33677 7.71921 7.63183 7.21889 7.43464 7.43374 7.62538 7.54594 7.58207 7.40879 7.34625 7.64334 7.291795 7.37489 7.56323 7.31395 7.40051 7.17962 7.46651 7.23966 7.2859 7.56017 7.29151 7.56665 7.65079 7.593295 7.65196 7.53945 7.35337 6.86417 7.63214 7.4694 7.1212 7.05317 7.4204 7.36134 6.78403 7.40366 6.56719 7.56024 7.23901 7.47577 7.43977 7.47784 7.221785 136513 Furan 6.263755 6.304555 6.327575 6.52098 6.153045 6.25357 6.32628 6.45301 6.55873 5.27401 5.41892 5.61592 6.2901 5.78138 5.60598 6.086265 6.508165 6.40233 6.10724 6.52884 6.45145 6.5607 5.28104 6.40517 6.5461 6.44305 6.63684 6.5804 4.590245 5.85313 6.08225 5.65708 6.441585 6.88233 6.09546 6.49134 5.798085 6.06375 5.33987 6.364185 6.09717 6.34009 6.218605 5.438365 6.46384 5.64396 5.340705 4 6.87364 6.0641 6.62913 6.75232 6.48545 5.79942 5.90535 6.568475 7.08237 7.41612 6.82657 5.220845 137442 2-Cyclopentene-1-carboxylic 5.65017 5.6761 5.5654 5.39351 5.55782 5.33341 5.50453 5.782105 5.97538 5.00621 5.43753 4.86056 5.31063 4.81189 5.73172 5.22942 5.05878 5.20559 5.38022 4.90987 5.69924 5.46145 5.6353 5.54597 5.9759 5.76263 5.10741 5.6374 5.679045 5.70709 5.51325 4.91917 6.03962 6.22054 5.43714 5.73524 5.376715 5.58646 5.29167 5.621165 5.67153 5.3057 5.6181 5.50423 5.78012 4.98208 5.82322 4.91356 5.76962 5.46103 5.82883 5.66739 NA NA NA NA NA NA NA NA 138333 138333 5.71809 5.829475 5.028085 4.893495 5.556015 5.60446 5.79677 5.45486 6.08896 4.803715 4.898075 4.78598 4.87375 4.78102 6.07483 4.765635 5.32337 4.77739 5.09143 4.796405 5.24447 5.503785 4.82391 5.903305 6.416875 5.69066 4.81453 5.53692 5.78107 5.514245 4.81734 4.776275 6.27355 6.299075 5.862195 5.792285 5.78472 5.27514 5.48527 5.98062 5.933105 5.893375 5.912155 5.804205 5.62681 5.225125 6.162785 5.24174 5.977685 5.848955 5.83029 6.16138 5.128355 5.347085 5.19377 5.145525 5.615585 5.56121 5.66425 5.94043 139105 Baker's-soluble-antifoliate RF-anti-RNA-Ds-Nd-Nr-Af 7.33497 6.28173 4 8 5.512875 7.78269 7.0862 8 7.16591 8 4.035255 5.961995 8 5.659115 4 6.59973 6.034465 7.21896 7.45727 6.35302 7.575035 7.24076 5.375 7.42637 7.11403 4.43668 7.26421 4.9127 4.07078 6.02158 8 4 7.293235 8 7.36121 7.692485 4.000415 8 4.783905 4.50267 6.46748 7.388725 5.39983 4.414285 5.16988 4 6.25555 6.1617 7.39568 6.50146 7.563255 4 8 7.711985 4 4 7.61881 7.64842 4 4.874435 139490 Emofolin 5.435915 2.8194 2.802115 2.8593 2.98839 2.80676 5.13962 3.710305 3.09019 2.958465 2.9009 2.79107 4.50794 2.90894 2.81169 2.827295 2.824765 4.80469 2.92637 3.13406 3.54012 4.79787 2.852475 4.56469 4.293185 2.83899 2.9194 2.9209 2.936375 2.891055 2.89925 2.899455 4.34499 5.45908 4.516625 4.39808 2.8786 2.96904 2.83268 2.942685 2.93143 5.61454 4.401145 2.877 2.95447 2.77934 2.88655 2.81336 4.265 4.01092 3.34839 2.73742 5.15341 2.88555 2.83059 2.66027 3.98155 3.920605 2.8415 2.729475 140377 Arnebin 6.53827 6.3908 5.645935 5.678595 5.954105 5.978625 NA 6.19545 6.61437 5.28274 5.93523 5.51484 5.563555 4.76585 6.36101 5.13204 5.34228 5.551005 5.59473 5.55378 5.567055 5.722575 5.65798 6.323625 6.513665 6.39034 5.557115 6.210805 6.33853 6.463555 5.68899 5.31776 7.69107 6.55427 7.255585 NA 5.51113 5.722435 5.56862 6.21223 6.643055 NA NA NA 6.1356 5.505495 6.385985 5.4764 7.31136 6.65494 6.09862 6.40384 NA NA NA NA NA NA NA NA 141527 141527 4.94944 4.951685 4.90643 4.94401 4.971575 4.48266 NA 4.868405 4.69253 4.466795 4.281545 4.68038 4.90414 4.31405 6.13451 4.258545 4.72069 4.57907 4.59608 4.87476 4.95381 4.829035 4.91907 4.862045 4.778725 4.6747 4.696915 4.278405 4.280725 4.60357 4.57831 4.76684 4.92103 5.02756 4.99521 NA 4.7287 4.745015 4.90927 4.97362 5.082395 NA NA NA 4.96547 4.846755 4.96415 4.841075 4.84595 4.896135 4.8455 4.55793 NA NA NA NA NA NA NA NA 141537 Anguidine 8.428135 7.9571 7.75906 8.159695 7.74318 7.753395 7.818975 7.72296 8.28812 7.774485 7.52659 7.48972 8.53386 7.694685 7.63979 7.895655 7.770395 7.811705 7.55723 7.732495 7.79055 7.75028 8.39395 8.11389 7.78313 8.11222 7.72155 7.79798 7.794915 7.687085 7.87631 7.601865 8.33287 8.02874 8.507085 8.9424 7.80143 7.60826 8.10039 7.657865 7.812105 7.681095 7.90028 7.59548 7.63888 7.97455 7.71418 7.587005 8.3262 8.3529 8.33139 7.683845 7.70837 7.664855 7.56099 7.73868 7.996245 7.74577 7.60881 7.651455 141540 Etoposide T2-T2-T2 5.69324 4.997045 4.83747 5.3915 4.74434 5.426545 5.99769 5.61028 5.42365 5.66868 4.72 4.13385 6.496605 5.88986 5.377145 5.473435 5.133245 5.7157 5.31629 5.504175 5.76125 4.76774 4.91635 4.955575 5.24646 4.78153 4.81435 4.484695 3.80608 5.18567 4.58669 5.06078 6.279545 5.11107 6.6539 6.51567 4.47409 5.49062 5.0291 5.663555 4.81436 5.94798 6.236885 5.56573 4.50391 5.61243 4.59834 4.75481 6.51662 5.73197 5.94109 4.21581 6.203675 6.05452 5.75726 6.088605 4.5491 5.94281 5.60674 6.076605 141633 Homoharringtonine 7.89738 7.916545 7.15569 7.74584 7.45845 7.462005 5.903255 7.23673 8.15463 7.4979 7.339755 6.8609 8.18478 7.206055 7.35197 7.47854 7.31373 7.51193 7.12551 7.21642 7.52725 7.83193 8.04152 7.91423 7.440645 6.985345 7.58848 7.26375 7.50488 7.34066 7.62486 7.48367 7.96317 7.84813 8.2809 7.5168 6.18209 7.129 7.449685 6.66645 7.466245 6.037475 6.240915 5.28136 7.28737 7.25067 7.43831 6.852865 8.002865 7.89343 8.12042 5.54605 5.5184 6.13305 5.29358 5.928485 5.351485 5.60818 5.44432 6.35794 142055 142055 5.77941 5.2222 5.34444 5.563945 5.47513 5.39852 NA 5.43141 5.69201 5.43482 5.30486 5.38097 5.75019 5.31632 5.30361 5.1648 5.08019 5.492395 5.21971 5.62883 5.56153 5.54956 5.656485 5.75064 5.65122 5.69034 5.478945 5.53426 5.444635 5.565345 5.509225 5.02294 5.5381 5.699615 5.71685 NA 5.54474 5.16514 5.142 5.63368 5.61293 NA NA NA 5.6801 4.96531 5.80453 5.076895 5.77153 5.696015 5.61215 5.73712 NA NA NA NA NA NA NA NA 142227 GEIPARVIN 5.76241 5.24944 5.40305 5.46598 5.36223 5.427545 NA 5.41386 5.55433 5.13267 5.10752 5.463965 5.43035 5.180745 5.362365 5.22831 5.324385 5.375305 5.33727 5.40957 5.606365 5.37719 5.39266 5.55859 5.52294 5.503055 5.706385 5.38249 5.43036 5.176575 5.3053 5.06062 5.88688 5.329275 5.36806 NA 5.288955 5.354285 5.31789 5.28447 5.71965 NA NA NA 5.37803 5.337125 5.390505 5.00266 5.75947 5.817035 5.963005 5.65412 NA NA NA NA NA NA NA NA 142982 Hycanthone AI-ALK-Db-In-A2 5.262385 5.236625 4.82198 4.88368 4.83803 4.90695 NA 4.83492 5.06728 5.12124 4.79356 5.03142 5.496635 4.92612 4.99963 4.85796 4.886695 4.93798 4.99921 5.15378 5.080795 5.15503 5.02704 5.37369 5.263835 5.03627 4.945715 5.049555 5.185415 5.20532 4.86532 4.87649 5.343035 5.45475 5.501385 NA 5.20041 5.1327 5.21519 5.52113 5.30227 NA NA NA 5.05584 5.00024 5.378 4.96578 5.010635 5.00824 5.2543 5.14104 NA NA NA NA NA NA NA NA 143095 Pyrazofurin RO-anti-RNA-Rs-Ds-Nr 6.30103 3.326495 4.12461 4.07986 3.21584 4.90858 4.190915 5.229 4.10501 6.30103 5.05269 5.87538 6.30103 5.84099 4.53377 6.30103 3.995415 6.07484 5.57592 6.30103 4.85438 6.23666 4.481425 6.30103 6.30103 6.30103 5.20157 4.66584 4.299365 6.30103 6.2095 3.83487 6.30103 6.30103 6.30103 6.30103 5.49061 5.993595 4.14119 6.30103 5.267435 6.30103 6.30103 3.92181 2.77237 3.85711 5.22392 3.79381 6.30103 6.30103 6.13585 5.539855 5.76451 6.30103 5.078935 4.04065 4.777135 5.61102 3.739675 4.95232 143147 Urea 5.07472 4.491135 4.407725 4.494975 4.18206 4.46693 4.01414 6.683245 4.83073 4.48156 4.198115 6.089555 4.69174 4.5648 4.580675 4.912995 4.779715 4.96456 5.25974 5.05099 5.30609 4 4 4.521425 4.63327 4.39879 4.134825 4.55646 4.539895 4.40459 4.52435 4.50773 5.23322 4.60668 4.95611 4.74568 4.33561 4.545805 4.502785 4.50524 4.72569 4.87909 4.41886 4.48841 4.44885 4.10133 4.3181 4 4.78607 4.75581 8 4.614895 NA NA NA NA NA NA NA NA 143241 Dibenzo[de 5.64907 5.539285 5.68073 6.175145 5.29487 5.474495 5.48248 5.928215 6.203485 5.702925 5.19973 5.194185 6.026755 5.4978 5.419825 5.220095 5.78633 5.53722 5.17742 6.1945 5.81299 6.29724 5.63034 5.90775 5.96244 6.07364 6.16 5.965985 5.067955 5.451245 5.330295 5.56788 5.342875 6.07737 5.37337 6.40486 5.11044 5.29419 5.67283 5.65361 5.67156 5.54473 5.449025 5.08683 4.898135 5.343705 6.10691 4.68985 6.25266 5.39783 5.943705 6.18054 5.6882 5.46834 5.294195 5.65644 6.58034 6.71239 6.23936 5.55263 143491 Daunomycin 6.36993 6.10625 5.84224 6.14432 5.78154 5.78529 5.55505 5.92161 6.48551 5.98915 5.42705 5.33246 6.44068 5.89917 6.00125 5.96926 6.38973 6.03422 5.90134 5.95269 6.00365 5.78709 5.841365 5.95748 6.29337 4.57771 5.6451 5.71963 5.26467 5.99454 6.1961 5.58287 6.77051 6.24444 7.25449 7.0567 4.77158 6.08206 5.849805 5.72542 5.70142 5.99887 5.72662 5.46978 5.6935 5.66066 5.94803 5.5384 6.70286 6.13614 6.13561 5.84263 5.79569 5.70566 5.41775 5.58838 4.22606 5.57339 5.77806 5.8839 143648 Sauzivamycin 7.91505 7.52603 7.82713 7.46467 7.62908 7.475315 NA 7.77321 7.75209 7.38671 7.46265 7.48126 7.63794 7.34344 7.608655 7.00395 7.62135 7.40684 7.50244 7.12885 7.380335 7.57418 7.43839 7.91576 7.80809 7.67743 7.55623 7.66915 7.68361 7.72863 7.44778 8.10577 7.73711 7.66694 7.7375 NA 7.61108 7.518745 7.31085 7.472075 7.59657 NA NA NA 7.4675 7.45696 7.86595 7.573845 8.01339 7.48999 7.512255 7.71235 NA NA NA NA NA NA NA NA 144153 Datiscoside 6.40038 6.19914 6.36282 6.03513 6.55781 5.20686 6.32202 5 6.28927 5.67747 5.295505 5 5.89163 5.69112 6.014115 5.93555 6.466075 5.90588 6.34371 5.68259 6.48171 6.13816 5.80917 5.62641 6.07262 6.16752 5 5.7378 6.0566 5.24156 5.587585 5.54126 6.47391 5.47346 5.47809 5.89522 5.57681 5.6196 6.47529 5.80329 6.390965 5.88483 5.65914 5.63293 6.18672 6.44568 6.22005 5 5.881055 6.37251 NA NA NA NA NA NA NA NA NA NA 144168 2(1H)-Quinoxalinone 6.03577 5.7917 4.89006 4.98925 4.8785 4.81363 4.96176 4.99334 6.68659 4.79509 5.48111 4.71554 4.81334 4.79415 5.54084 4.69893 4.81 4.818 4.96629 4.77689 4.81659 5.243 4.68631 5.13271 5.3998 4.89954 5.59107 5.80529 5.29193 4.87587 4.97327 4.69496 6.24868 5.66737 5.74677 6.29476 4.9399 4.97996 4.66078 5.135275 5.60543 5.76523 4.89358 4.78953 4.88116 4.80214 5.21133 4.7075 6.7321 5.59326 NA 4.70477 4.90078 4.71747 4.95201 4.91737 4.90915 4.92204 5.03268 4.90307 144173 Quinoxaline 5.74495 5.70586 5.48519 5.242425 5.44297 4.90099 5.71009 5.53273 5.71916 4.7398 4.75521 4.74096 4.8274 4.81391 5.69826 4.74802 4.850755 5.28376 4.79322 4.85665 4.78485 5.48715 4.76561 5.42604 5.75029 5.66249 4.92312 5.06246 5.140535 5.57867 5.25791 4.8071 6.51645 5.844345 6.19434 6.2822 5.14083 5.47399 4.765855 5.62076 5.55167 5.72366 5.15653 4.79213 4.93911 4.795705 5.75246 4.795045 5.72725 5.728135 NA 5.41026 4.89814 4.71212 5.69384 5.47609 5.47222 5.46676 5.61893 5.68805 144310 144310 5.90577 5.48415 5.60459 5.72421 5.561 5.69574 5.50846 5.75888 5.69604 5.72512 5.25608 5.3627 5.58873 5.56051 5.10938 5.64848 5.05147 5.81419 5.73659 5.61537 5.68837 5.78894 5.589545 5.94619 5.78448 5.77736 5.92363 5.73652 5.81453 6.0756 5.66926 5.35322 6.071085 5.847505 5.760425 6.081595 5.52772 5.73774 5.30719 5.47573 5.475855 5.72692 5.65675 5.42659 5.51721 5.71584 5.61069 5.61142 5.98733 6.32617 5.65279 5.78091 5.51944 5.54046 5.48447 NA 5.52664 5.58806 5.54089 5.65475 144872 144872 5.79179 5.7601 5.265805 5.37408 5.67076 5.65799 5.72534 5.38278 6.43498 4.72102 5.230855 4.75058 4.90072 4.71754 5.69483 4.71915 4.94354 5.60739 5.10875 4.76653 5.448725 5.70534 4.73883 5.78701 5.85403 5.776425 5.084165 5.72181 5.741235 5.53965 5.035185 4.72348 6.26712 6.14952 6.09121 6.06845 5.74071 5.67145 4.73919 5.67933 5.79935 5.74271 5.72782 5.70228 5.68441 4.72877 5.79567 5.46205 6.3047 5.68102 5.57025 5.64185 5.22431 4.78515 5.77852 5.364815 5.77279 5.73382 5.69943 5.66662 145150 U 5.01455 5.112215 5.151635 5.05122 5.281595 5.069275 NA 5.27105 5.53401 4.6674 4.63722 4.965135 4.992825 4.96612 4.99829 4.93708 4.780435 4.95875 5.01009 4.75181 5.031255 4.94673 4.94647 5.001795 4.99425 4.95997 4.980255 4.897885 5.07595 5.059305 4.92151 4.754125 5.080385 4.9844 5.135585 NA 4.943525 5.027885 5.08557 4.790445 5.124215 NA NA NA 4.73974 4.71242 4.930275 4.529335 5.12711 5.19231 5.07656 5.07231 NA NA NA NA NA NA NA NA 145668 Cyclocytidine DP-anti-DNA-Ds-Dp-Di-Rs 6.18865 5.749405 3 5.05939 5.33251 6.14469 6.56885 5.58418 3 6.54419 3 3 6.936 6.4417 4.62911 4.69032 3.03125 5.03438 5.08077 4.63978 4.48689 3.18939 3 6.42804 5.04706 3.536135 3 3 3 6.117885 3 3.92886 7 4.050105 7 7 5.31183 5.4426 4.72592 5.54746 3.51924 6.19033 6.51505 3 4.21226 3 3.3125 5.15468 5.91855 3.32738 6.225125 5.621135 5.7793 5.64545 4.131865 3 4.61338 5.190905 3 3 146208 146208 4.6039 5.378175 4.60206 5.2322 4.60206 5.330105 NA 5.31087 5.21946 5.06996 4.60206 4.60206 6.091685 6.160365 5.61161 4.60206 5.16959 5.200385 5.422545 5.8718 6.33309 4.60206 4.60206 5.291515 4.60206 4.60206 4.60206 4.60206 4.64722 4.60206 4.788085 4.609695 4.60206 4.60206 4.81872 NA 5.30874 4.99738 5.13257 7.59669 5.54995 NA NA NA 4.60206 5.60275 4.60206 4.60206 4.80964 4.60206 4.63297 5.22603 NA NA NA NA NA NA NA NA 146396 [1 5.23489 5.52982 5.73823 5.65803 5.40694 5.77695 5.48136 6.0217 6.641555 6.789205 5.7311 5.49936 6.14726 5.8046 5.60371 6.131445 5.96147 6.39735 6.97239 5.46288 5.73532 5.87968 5.88929 5.70485 6.36022 4.31045 5.97012 5.80602 5.364305 5.80903 6.00579 5.96133 6.19946 5.82143 6.32742 6.2955 4.73557 6.1021 6.37329 5.62531 5.743085 5.72975 5.32916 5.17135 4.875265 5.92364 6.07805 5.75998 5.61502 5.93584 5.92244 4.48191 5.87581 5.64641 5.85442 NA 4.16136 4.8648 5.51431 NA 146397 Nitidine 5.40067 4.92231 5.60963 5.29918 5.22804 5.99242 4.92956 5.82985 6.52745 6.80043 5.6754 5.45122 5.72731 5.67857 5.61632 6.21742 6.65838 6.42974 6.84673 5.18487 5.68313 5.80569 5.684025 5.25684 5.78087 4 5.59837 5.80205 5.49906 5.70646 5.92141 5.92794 6.24873 5.21743 6.4408 6.021 4 6.34408 5.96167 5.62456 4.90743 5.41237 4.13699 4.57835 4.17774 5.44255 5.80734 5.84565 5.50644 5.66318 5.94464 4.56899 5.63247 5.59782 5.58116 5.53688 4 4.19442 5.18674 NA 146604 FUR 7.37966 7.222405 5.7246 6.33516 6.17929 6.456635 6.5174 6.769985 6.72488 7.981085 4.21162 6.09387 8 7.00556 4.76942 7.088615 5.773885 7.36833 6.976735 6.800405 7.726825 7.274525 7.46554 7.95999 7.61698 7.58839 7.11678 6.724055 6.143285 7.06579 7.32834 5.11761 7.09756 7.652965 7.08878 7.375385 7.3778 7.084425 5.92633 7.279705 6.665335 7.518 7.419245 5.56582 5.96165 7.15256 7.241865 5.87121 7.04168 7.193995 8 7.193265 6.791215 6.976235 5.99365 5.24456 7.558585 7.629605 7.01253 7.072535 148290 Alanine 5.33391 5.55026 5.64735 6.27991 5.23309 5.40956 6.48777 5.930745 5.85772 5.36757 5.24631 5.59497 5.49637 5.24449 5.0291 5.44344 5.261045 5.38136 5.52847 6.12099 5.74123 5.50506 5.52044 6.34951 5.60384 5.37288 5.48544 5.75774 5.0122 5.43166 5.51621 6.11122 5.55283 5.50835 5.19401 5.35512 4.9262 5.30908 4.73118 5.28324 5.25102 5.86351 4.8711 5.01471 5.33122 4.95585 5.62683 5.23523 5.58318 5.61094 6.03806 4.80663 5.59552 5.41502 5.63591 5.49524 6.52016 6.41391 5.30399 5.47268 150014 Hydrazine 4.09421 3.11504 3.09671 3.21825 3.24297 3.399355 3.358665 3.444095 3.44758 3.78178 3.14772 2.94224 3.86012 3.278215 3.31486 3.09477 3.156305 3.468165 3.36029 3.2697 3.26963 3.70725 2.93134 3.84818 3.48193 3.58758 3.47749 3.28653 3.25905 3.352355 3.46902 2.90707 4.17493 3.99505 3.82838 4.00298 3.32308 3.421 3.35809 3.41503 3.3839 3.63133 3.334975 3.06865 3.19412 3.27869 3.45057 3.10788 3.7208 3.643 3.809175 3.19145 3.02853 3.20805 3.50312 3.115865 3.67803 3.8746 2.9657 3.20597 150094 150094 5.47979 5.74724 4.72501 4.78508 5.47186 4.99722 5.71802 4.79034 6.35367 4.68914 4.70646 4.77713 4.74482 4.75197 5.68061 4.71998 4.76585 4.79936 4.85284 4.71394 4.77078 4.89399 4.80444 5.71827 5.75192 5.72305 4.78103 5.70266 5.68995 5.12416 4.69353 4.77198 5.64034 5.33869 5.61472 5.49101 5.74065 5.65939 4.77452 5.67938 5.648175 5.7005 5.75173 5.02975 5.4985 4.86534 5.73895 5.34313 5.59305 5.66968 5.53795 5.70797 4.69783 5.18878 4.60784 4.53792 4.80917 5.23993 5.64172 5.71732 150834 6H-Pyrido[4 5.124785 5.12508 4.72429 5.12387 4.788425 5.1903 NA 4.962305 5.22709 4.939805 5.088 5.00927 5.359285 5.02124 5.25276 4.83702 4.78283 5.01528 5.12087 5.070305 4.96761 5.16944 4.944945 5.353325 5.181005 5.187555 5.34626 4.959825 5.06166 5.267055 5.05947 5.305775 5.41806 5.232825 5.45411 NA 5.452965 5.134945 5.258555 5.26111 5.35271 NA NA NA 5.09078 5.28875 5.1748 5.25401 5.533465 5.438795 5.35798 5.31761 NA NA NA NA NA NA NA NA 152731 6H-Pyrido[4 6.32216 5.763835 5.7882 5.86467 5.75419 6.38713 NA 5.8482 5.87982 5.7933 5.998255 5.79012 6.45906 5.7674 5.745185 5.64664 5.74377 5.800875 6.68775 5.95938 5.87762 5.716395 5.7244 6.535455 6.48551 5.815975 5.84885 5.75131 5.735005 6.2843 5.84224 5.61614 7.508 6.062055 7.757 NA 5.80825 6.262115 5.738 5.82182 6.23765 NA NA NA 5.76312 5.78403 5.88979 5.66624 8.05799 5.9972 7.844855 6.07311 NA NA NA NA NA NA NA NA 153353 L-Alanosine RO-anti-RNA-Rs-Ds-Nr 6.50183 4.178365 3.97916 5.87325 4.55746 5.74004 4.7333 5.499625 4.558145 6.696065 4.37261 4.930235 6.21104 5.09236 3.92262 6.12219 4.13303 6.16836 5.1102 5.305945 4.995345 4.93298 4.86268 6.01394 4.76088 5.69211 6.477725 4.86278 4.70196 4.969195 6.51392 4.23751 5.024475 4.84449 4.70264 4.95236 5.79582 4.76705 5.42076 5.34162 4.5117 5.821585 5.55535 4.6448 4.27407 4.21586 4.589695 5.340805 5.054215 4.72634 5.97621 4.68916 5.406045 3.917015 3.30103 4.92065 5.218415 5.162335 5.03814 3.77851 153858 Maytansine TU-TU-Tu 8.89226 7.92825 7.75543 8.67346 7.62191 8.28824 8.02157 8.1926 8.54702 8.11158 8.07762 7.857365 8.53303 8.43465 8.53999 7.967225 8.35101 8.23584 8.22889 8.42955 7.80326 7.857455 8.56881 8.057705 8.29415 8.49655 8.06568 8.38744 8.16592 8.42933 8.50536 8.51737 8.54954 8.47066 8.50724 8.56059 7.940225 8.173215 8.14981 7.91826 7.92195 7.88972 8.24989 7.65706 8.118 8.294765 8.0382 7.84928 7.95684 8.39787 8.411045 8.22242 8.53438 8.03179 8.222765 8.23925 8.00668 7.96357 9.67809 8.122745 154756 4(1H)-quinazolinone 6.3166 6.85479 6.58533 6.81731 6.24947 5.64849 6.49223 6.74683 6.59632 6.22056 5.91234 5.81771 6.40654 6.11562 5.122105 6.32957 7.265495 6.47214 6.30669 6.43419 6.58568 6.52646 6.02924 6.48957 6.57651 6.51358 6.82313 6.92225 6.465745 6.075 6.38141 6.421595 6.39109 6.90319 6.22925 7.28578 6.32994 6.16625 6.506015 6.66267 6.64335 6.379895 6.33583 5.38474 6.327575 6.12886 6.54799 6.12533 6.84286 6.74177 6.83622 6.62752 6.55772 6.38229 5.95938 6.62951 7.55986 7.51529 6.32181 6.34959 155246 Benzamide 4.711265 4.74514 4.66798 4.789735 4.72123 4.268475 4.754985 4.685675 4.56043 4.357485 4.15107 4 4.41717 4.49771 4.60807 4 4.76053 4.35551 4.120115 4.62951 4.489725 4.70378 4.51597 4.71805 4.73329 4.70814 4.41076 4.33607 4.20053 4 4.17664 4.49213 4.52935 4.710375 4.538365 4.59149 4.705405 4.148385 4.23874 4.684435 4.17612 4.459445 4.151395 4.14576 4.716885 4.5147 4.75643 4.489 4.716395 4.59533 4.651415 4.47576 4.343695 4.044605 4.4489 4.543005 NA 4.702355 4.445635 4.6849 155693 9-Methoxy-2-methylellipticinium 5.21962 6.0916 5.558205 5.916495 5.56575 6.23255 4.88932 5.67144 6.27805 6.48865 6.10752 6.3071 5.78526 6.38386 5.681585 6.802635 6.85153 6.95891 7.049015 6.74491 6.60778 5.467 5.71725 5.80925 6.18321 4.471 5.90979 5.554685 5.7025 6.68481 5.58957 4.99663 5.88589 5.854275 6.6171 4.44103 4.45194 7.000505 4.80496 5.537425 6.32184 6.79401 5.39311 4.61412 4.9954 6.60463 6.33061 5.16511 4.80677 5.279285 5.77221 4.65745 5.34154 6.35703 5.72443 NA 5.23188 5.65877 5.80269 6.59091 155694 9-Methoxy-2 6.41194 6.66637 6.74711 6.4735 6.59759 6.934055 NA 6.89255 7.38147 6.80745 6.441445 6.87299 7.334095 6.82074 6.84229 7.24897 6.91693 7.66043 7.91277 7.291685 7.11702 6.26359 6.302065 6.917045 7.32568 5.33586 7.213465 6.73466 6.45051 7.317555 6.514315 6.17461 6.86055 6.60965 7.05085 NA 5.513685 7.514255 6.52751 6.53813 6.82079 NA NA NA 6.449015 7.542175 6.99866 6.300245 5.84915 6.51355 6.420235 4.99609 NA NA NA NA NA NA NA NA 156130 MELAMPODIN 4.41272 4.30528 4.2552 4.238735 4.23979 4.237335 NA 4.273765 4.78942 3.98148 4.08585 4.208755 4.158465 3.954645 4.23309 3.87491 4.04979 4.18316 4.16781 4.053 4.08338 4.16887 4.22304 4.340345 4.37657 4.220875 4.23777 4.26423 4.19157 4.148605 4.20558 3.882035 4.832785 4.11339 4.27394 NA 3.986595 4.106285 4.16095 4.257695 4.40463 NA NA NA 4.27507 4.144775 4.295045 4.014235 4.70425 4.42084 4.2619 4.10294 NA NA NA NA NA NA NA NA 156305 Methanesulfonamide 5.847145 5.66373 5.35945 5.70742 5.29291 5.6127 5.5177 5.918515 5.649475 6.32692 5.17002 5.26859 6.605055 5.99565 5.55997 5.795465 5.533315 5.731935 5.629215 5.791745 5.50418 5.546525 5.341995 5.64912 6.08103 5.630965 5.46517 5.313775 5.41194 5.5785 5.68086 5.80389 6.267045 5.60885 6.814465 6.92241 5.59855 6.173335 5.41343 6.519885 5.353945 5.59177 6.331235 5.18598 5.5064 6.080995 5.71813 5.409615 6.23975 5.72858 5.86997 5.39567 5.55741 6.44012 5.49851 5.14181 5.01622 5.14241 4.93564 5.52679 156625 CORALYNE 4.368925 5.13357 4.61829 4.84969 4.70338 4.83407 4.12035 5.119845 5.42014 4 4 4.476815 4.27472 4.43317 4.61538 5.44058 5.02775 5.3009 5.940695 4 5.07994 4.064915 4.8245 4.51245 4.67877 4 4.552185 4.85777 4.99181 4.712795 4.29679 4.315685 5.069265 5.01402 4.63946 4.84807 4.06842 5.259285 4.10749 4 4.22828 4.32254 4 4 4.7353 5.00196 5.317645 4.19267 4.50818 4.32994 5.005325 4.41865 4.74637 4.84896 4.69723 5.318415 5.37021 5.00503 5.41888 5.292225 157004 Nybomycin 5.90047 5.887355 5.745045 5.80129 5.734605 5.75243 NA 5.887225 5.93518 5.79504 5.59646 5.89158 6.13355 5.805765 5.65374 5.700805 5.73239 5.88232 6.04435 5.80615 5.857805 5.760565 5.84249 6.322795 6.24075 5.63666 5.894265 5.77774 5.93905 6.10439 5.962565 5.3455 6.010045 5.858695 6.354045 NA 5.697745 5.704925 5.69822 5.7748 5.831745 NA NA NA 5.67386 5.78736 5.89548 5.59925 5.63364 5.87832 5.66965 5.94493 NA NA NA NA NA NA NA NA 157035 2513-77-1 5.09198 4.87665 4.908095 4.86155 4.85963 4.795285 NA 4.8386 5.0716 4.08652 4.765215 4.67723 4.85753 4.284115 4.874205 3.98335 4.3653 4.30498 4.603285 4.62448 4.788725 4.53562 4.64121 4.92794 4.85422 4.899215 4.81222 4.879325 4.79262 4.75227 4.82106 4.179595 4.94251 4.65961 4.827605 NA 4.483765 4.8268 4.74109 4.980015 4.91711 NA NA NA 4.89617 4.75591 4.845285 4.755005 5.16984 5.01538 4.85772 4.83694 NA NA NA NA NA NA NA NA 157365 157365 -1.96284 -1.850285 -2.30103 -1.70875 -1.895325 -2.05231 -1.86501 -1.96091 -1.77165 -2.14623 -2.103235 -2.118465 -1.79955 -2.055415 -1.98555 -2.24349 -1.59515 -1.93818 -2.10548 -1.81968 -1.75918 -1.854635 -1.98585 -2.05123 -1.8493 -2.30103 -1.980855 -1.72399 -2.30103 -2.18123 -2.11505 -1.96596 -1.98175 -2.15219 -1.70814 -0.84985 -2.30103 -2.25709 -1.88566 -2.02587 -1.72715 -2.04108 -2.11224 -2.261525 -2.30103 -1.94814 -1.77036 -2.30103 -1.79917 -2.23616 -1.781845 -2.30103 -1.83853 -2.197575 -2.04262 -1.68854 -1.64133 -1.40602 -2.30103 -2.30103 157930 Sulfonium 5.67782 5.59983 5.8022 6.98343 5.46492 5.606945 6.43814 6.187875 6.48204 5.51561 6.8451 4.86958 5.63148 6.95749 5.37651 5.393095 5.6455 5.61163 5.62204 6.26923 7.18448 5.675435 5.622945 5.84781 5.46536 4.46417 6.29736 6.163945 6.42131 6.248175 6.11533 5.58549 5.65613 5.90057 5.196935 5.32541 4.64396 5.50435 6.46308 6.10479 5.152465 5.39294 5.15867 5.49892 6.15321 5.35312 5.91295 5.75937 6.09868 5.9723 5.55635 4.244295 5.869235 5.358815 4.90282 5.68502 5.638375 5.511165 NA 6.092295 157995 Fagaronine 4.12494 4.77683 4.40272 5.366585 4.12494 5.03636 NA 5.8177 6.65138 4.629555 4.332895 5.11065 4.990035 5.593515 4.618045 5.825835 5.55481 6.57036 7.011925 5.02088 5.54306 4.12494 4.39746 5.274425 4.84253 4.12494 4.12494 5.246875 5.22214 5.85826 4.67948 4.641195 5.672965 5.377955 5.92423 NA 4.12494 6.146035 4.93429 4.140495 4.616305 NA NA NA 4.12494 5.728885 4.829615 4.136645 4.12494 4.12494 5.49899 4.12494 NA NA NA NA NA NA NA NA 158036 1 5.79818 5.05817 4.699905 4.90307 5.20083 4.90815 4.98365 5.237795 5.49958 4.83923 4.92312 4.56793 4.85873 4.67333 4.83317 4.66553 4.94511 5.37915 5.39111 4.88293 5.35477 4.972435 4.81249 5.57582 5.71622 5.36814 4.89797 5.5317 4.90734 4.99776 4.93195 4.442305 5.61278 5.430865 5.36139 4.85441 4.81425 5.05372 4.40374 4.85967 5.510755 5.41412 4.85931 4.6183 4.96533 4.634675 4.91042 4.6556 5.26152 5.20654 5.577735 5.493215 NA NA NA NA NA NA NA NA 158382 4(1H)-Quinazolinone 5.38174 5.71348 5.5769 6.05112 5.05338 5.14205 5.64334 5.88053 5.74871 5.22536 5.09843 5.13141 5.47441 5.2223 5.32127 5.40173 5.71712 5.51943 5.17004 5.45803 5.731 5.659605 5.07875 5.58835 6.01864 5.965685 5.49309 6.00779 5.57156 5.2883 5.38292 5.65446 5.78925 6.42248 6.13266 6.27942 5.25185 5.16144 5.297935 5.51899 5.41781 5.3898 5.10371 5.09063 5.27811 5.10858 5.65308 5.0646 6.34375 6.27809 5.97055 5.67683 5.90896 5.29646 5.13062 5.620485 6.76738 6.72581 NA 5.221435 158383 4(1H)-Quinazolinone 5.65436 6.15676 5.80802 6.51509 4.92091 4.94565 6.086535 5.57402 5.93781 5.79224 5.53237 5.224585 5.7282 5.5 4.5085 5.699205 6.83054 5.7937 5.80124 5.82816 6.21401 6.33303 5.38262 6.42829 6.39127 6.302525 5.233085 6.61877 5.11905 5.22615 5.75 5.499285 6.1232 6.646445 6.40488 5.383535 5.15204 5.207645 5.289295 6.1633 5.95875 5.75968 5.19533 5.295 4.286325 5.32573 6.17324 5.21889 6.76104 6.2717 6.34145 5.80938 5.98698 5.77575 4.83835 5.966 7.212195 6.81967 5.43596 5.56481 158389 4(1H)-Quinazolinone 6.60839 7.21002 6.86444 7.24563 7.18851 5.82802 6.77104 7.28576 7.05658 6.41305 6.4767 5.96216 6.7108 6.3454 4.84292 6.36145 6.932545 6.67119 6.34739 6.81146 6.90683 7.03464 6.33096 7.02641 7.25555 7.29878 7.069845 7.61129 4.88476 6.3572 6.93832 6.98872 6.70146 7.69891 6.93308 7.599135 5.851195 6.31193 6.674245 6.68325 6.795465 6.39986 6.35223 6.273875 6.408715 6.51425 6.92041 6.07881 7.606625 7.38584 7.52938 6.97376 6.81217 6.47104 6.18382 7.018335 7.90539 7.86372 NA NA 161128 161128 4.65829 4.76012 4.52133 5.22029 4.77296 4.49162 5.13664 5.38822 6.79651 4.81273 4 4.5634 5.71544 4 5.29809 4 4.53003 4.49405 4.28383 4.37559 4.48565 6.03082 4.45615 4.54653 4.88428 4.40859 5.32891 6.586045 4.71536 4.48912 4.4 4 6.1047 6.4264 5.50137 4.96012 4.11881 4.48241 5.90975 4.43782 5.650375 5.20379 4.27786 4 4.208385 4.35734 4.66383 4.46851 5.80235 4.805175 4.87129 4.91493 4.68625 4.26405 4.42421 4 4.42986 4.83935 4.38474 5.897585 162907 6-(5-Hexen-1-yl)ellipticine 5.23068 5.008175 4.85034 5.30114 4.972 5.333905 NA 5.00139 5.350225 5.08258 4.78134 4.83784 5.18631 4.79014 5.453405 4.7549 4.88247 4.89803 4.89719 5.045935 4.87646 5.20746 4.95201 5.332475 5.357155 5.225385 5.01325 5.29834 5.26475 5.39009 4.990535 4.74527 5.41067 5.438185 5.562365 NA 5.21221 5.10076 5.0755 5.15561 5.256545 NA NA NA 5.368825 4.96198 5.43171 4.75597 5.67777 5.570245 5.09657 5.32388 NA NA NA NA NA NA NA NA 163027 Diketocoriolin 5.96483 5.46969 5.45377 5.43845 5.46235 5.49335 NA 5.46916 6.02012 4.514975 5.441245 4.53235 5.34395 4.634595 5.61967 4.527815 4.51069 5.02686 5.208 4.68788 5.095235 5.254215 5.26789 5.61444 6.11551 5.478375 5.10945 5.496695 5.35493 5.47599 5.377665 4.43105 7.164645 6.240675 6.46006 NA 4.61595 5.392735 5.11054 5.552415 5.5921 NA NA NA 5.51413 4.867825 5.967825 5.1559 6.92835 6.38008 5.447815 5.8617 NA NA NA NA NA NA NA NA 163088 Berbinium 3.99561 5.182565 4.4836 5.338725 4.70561 5.02476 NA 4.489815 5.204385 4.17851 4.16492 4.36697 4.84331 4.80795 4.31675 5.23138 4.37582 5.2185 5.31637 5.059125 4.42286 4.38288 4.75324 4.76295 4.44499 3.68273 5.0788 5.36833 5.015445 4.8734 4.44842 4.06342 4.84081 4.84507 5.06518 NA 3.81458 4.99931 3.98518 4.18806 4.15167 NA NA NA 4.908965 4.80466 5.10671 4.266825 4.81605 5.06897 4.8205 3.48812 NA NA NA NA NA NA NA NA 163443 163443 5.06341 4.92345 4.918015 4.896285 4.85818 4.89667 NA 5.03613 5.00262 5.0424 4.88583 4.915945 5.48963 5.12915 4.617045 4.9509 4.67241 4.85216 5.01259 4.97737 5.13191 4.82521 5.042685 5.36069 5.258765 5.038125 4.935305 4.85324 4.78857 5.22838 5.000425 5.30308 5.119785 5.07866 5.37881 NA 5.41029 5.48561 5.10662 5.27777 5.04514 NA NA NA 4.96884 4.9331 5.07435 4.95437 5.22362 5.162365 5.00432 5.17736 NA NA NA NA NA NA NA NA 163501 Acivicin RI-anti-RNA-Et-Nr 5.77186 5.53145 5.01723 5.61696 5.38153 5.364635 5.429355 5.536165 5.26537 6.060655 5.7643 5.1327 6.35303 5.731335 4.615605 5.36635 4.78846 5.6124 5.93384 5.883065 5.40708 6.053205 5.447805 6.171725 6.0526 6.09737 6.20903 5.49418 5.247035 5.620425 6.18311 4.888495 5.87239 5.54969 5.642615 6.1277 5.2777 5.33932 5.18978 5.52493 5.170995 5.43252 5.88543 5.48021 5.304565 5.209365 5.23901 5.21693 5.41132 5.41195 6.1825 5.33187 5.77048 5.642985 3.15132 5.48374 5.409395 5.414305 5.13073 5.17816 164011 Zorubicin (Rubidazone) T2-T2-T2-Db-In 7.131035 6.85852 6.34938 6.5627 6.24076 6.66285 6.627235 6.60845 6.648955 6.66449 6.10595 6.00856 7.53109 6.73285 6.89991 6.795165 6.531105 6.76567 6.5638 6.75029 6.528365 6.194595 6.264095 7.069255 6.89671 5.65309 6.39596 6.26806 5.848225 6.53058 6.599195 6.30665 7.20051 6.58599 7.39564 7.90309 5.59281 6.85165 6.38144 6.80482 6.611405 7.2582 7.082825 6.287095 6.28564 6.85847 6.31496 6.15368 7.25364 6.769865 7.257565 4.70564 6.678005 6.88973 6.26221 6.457075 6.44057 6.470305 6.51685 6.7218 164017 164017 5.968935 5.61969 5.663075 5.625085 5.62837 5.70695 NA 5.642075 5.698345 5.747705 5.66875 5.83182 6.20694 5.670835 5.69344 5.687195 5.70184 5.688885 5.928235 5.73049 5.7164 5.85884 5.721205 6.15745 6.09497 5.875045 5.8062 5.688615 6.103805 5.91197 5.72584 5.66846 6.27515 6.260945 6.59894 NA 5.700465 5.82211 5.67278 5.71977 5.72431 NA NA NA 5.69899 5.66316 5.830445 5.665915 5.758665 6.18635 5.7935 6.04093 NA NA NA NA NA NA NA NA 165563 Bruceantin 8.59871 8.609705 7.97992 8.63793 8.36891 8.391465 8.36179 8.34577 8.622065 8.21747 7.61175 7.53335 8.60793 8.04401 7.8721 8.48625 8.45416 8.4129 7.74078 7.73367 8.57286 8.42455 8.604725 8.47426 7.99407 7.618675 8.23156 8.44286 8.37814 7.90068 8.37993 8.280465 8.46779 8.49185 8.620255 8.5952 7.78126 7.794355 7.89499 7.525555 8.18047 7.72762 8.235945 7.74305 7.82732 8.46753 8.03027 7.77583 8.60142 8.55007 8.561275 7 7.8894 7.82549 7.546535 8.47671 8.02818 8.02317 7.582235 8.12073 167406 Urs-12-en-28-oic 5.10307 4.83624 4.92256 4.70962 4.95688 4.91587 NA 4.911705 4.87526 4.99904 4.912245 4.95829 4.89002 4.82967 4.90093 4.86074 5.450415 5.027575 5.389045 5.58625 4.97846 4.948865 4.96552 5.098115 5.29734 5.274885 5.018515 4.99402 4.89463 5.018 4.81795 4.81965 5.326435 5.454475 5.51998 NA 5.088865 4.88699 4.89254 5.024475 5.193865 NA NA NA 5.28915 4.90608 4.87015 4.93009 5.45173 5.209055 4.9053 4.99703 NA NA NA NA NA NA NA NA 167780 Asaley A7-ALK-A7-C2 5.588755 5.598635 5.60337 5.46394 5.22577 5.35069 5.54795 5.751415 5.77378 4.83439 4.72548 4.661255 5.465335 5.26533 5.7995 4.86167 4.8975 5.11878 5.37966 5.18218 5.55292 4.76997 4.83524 4.7864 5.10449 4.99057 4.68642 5.38939 4.7542 5.086545 4.86254 4.7786 6.1655 5.29867 6.3916 5.97853 5.164445 5.4972 4.72911 6.006 5.67488 5.64394 5.60434 4.79285 5.44832 4.78924 5.45753 4.78529 6.43045 5.52674 5.36727 4.721655 4.7942 5.22155 5.18739 5.409305 5.47429 5.56995 5.26979 5.6445 167781 Benzamide 4.91465 4.149385 4.26452 4.47887 4 4.859455 4.40799 5.15515 4.60317 4.622515 4.010945 4 5.475765 4.75296 4.09744 4.2093 4.41751 4.605655 4.56741 4.58468 4.63074 4.26226 4 4.361425 4.23248 4.016675 4 4.350965 4.08652 4.48814 4.34107 4.559955 5.274095 4.185995 5.272195 5.561245 4.557345 4.54615 4.28384 4.652365 4.39812 4.654345 5.2206 4 4 4.43326 4 4 5.270565 4.237155 4.419645 4.633065 4.171645 4.80633 4 4.00541 4.49051 4.13339 4.26983 4.639585 169627 2H-Pyran-3-carboxylic 4.87995 4.86806 4.85576 4.88056 4.890325 4.834485 NA 4.87184 5.49827 4.819725 4.90703 4.874495 4.85588 4.81129 4.86389 4.86193 4.881135 4.866455 4.864675 4.8484 4.88201 4.831245 4.859425 4.971865 4.92968 4.830525 4.85494 4.91508 4.95537 4.86715 4.87666 4.7058 5.20875 4.7758 4.97753 NA 4.86463 4.87052 4.85947 4.766165 4.87386 NA NA NA 4.88874 4.88185 4.99048 4.87169 5.51139 5.020515 4.83583 4.742615 NA NA NA NA NA NA NA NA 169716 2 5.20093 4.84324 4.77283 4.94244 4.72191 5.27602 4.83799 5.30331 5.12108 4.99284 4.61468 4.78195 5.64726 4.88011 4.84936 4.86911 4.86581 5.0645 5.01397 4.926 4.94671 4.9429 4.8166 4.91928 4.93964 4.87029 4.715785 4.90882 4.704 4.93731 4.84016 4.78037 5.65807 4.96715 5.64718 5.69192 4.83223 5.19282 4.90943 5.115425 4.82872 5.3362 5.41833 4.64249 4.859155 4.887965 4.81776 4.84497 5.89772 5.4726 5.057885 4.838395 NA NA NA NA NA NA NA NA 169780 ICRF-1 3.54368 3.61139 3.47381 3.714075 3.2683 3.84131 3.44898 3.53202 4.23402 4.65463 3.60206 3.38289 5.14795 3.96062 3.54249 3.53334 3.412505 3.585135 3.425945 3.56547 3.505315 3.916275 3.50374 4.01632 4.34995 3.83557 3.303645 3.53848 3.5503 3.50986 3.483335 3.26149 4.78663 3.5479 4.74716 3.43276 3.413965 3.57844 3.57108 4.086125 3.45858 3.53103 3.89728 3.64694 3.34232 4.07189 5.048755 3.40842 4.43084 3.47003 4.6788 3.49399 3.60191 3.594905 3.69057 3.540445 3.38956 3.55705 3.63394 3.92945 170365 Thiactin 5.95818 5.80171 5.78227 5.86562 5.86832 5.64463 5.77631 5.90784 6.58148 5.36077 4.739135 5.21097 5.74187 5.02895 6.0599 5.57069 5.741285 5.802815 5.8184 5.47578 5.760835 5.844015 5.175725 6.29975 6.38612 5.38505 5.7768 5.756145 4.85594 5.80155 5.01213 4.98948 6.41809 5.9783 6.43459 6.52022 4 5.713115 5.759045 5.534205 6.45492 5.81172 5.6347 5.56033 5.81915 5.72154 6.29017 4.70247 5.56987 6.1096 5.7007 4.234165 NA NA NA NA NA NA NA NA 170984 Pimozide 5.45745 5.63844 4.92877 5.57143 5.67902 5.02354 5.57449 4.94808 5.57108 4.98694 5.02363 5.00305 5.4216 4.82963 5.40877 4.87529 4.94252 5.12063 4.92897 5.33376 5.43301 5.56987 5.72118 5.24879 5.27476 5.509045 4.99724 5.45443 4.9538 4.91782 4.85842 4.91198 5.42044 5.47138 5.42769 5.60152 5.52835 4.90278 4.913075 4.93844 5.64234 5.43601 4.90629 4.9755 5.4804 4.92342 5.75155 4.91073 5.741 5.3612 4.92996 5.6367 4.95385 4.76136 4.87962 4.68693 4.99523 5.00973 NA 5.30589 172112 Spiromustine A7-ALK-A7-C2 4.0254 3.60206 3.60206 3.60206 3.60206 4.072045 NA 4.18796 4.24087 3.76483 3.60206 3.60206 4.118445 3.79921 4.19041 3.65687 3.60356 3.656265 4.06377 3.96783 4.09594 3.60206 3.60206 3.64719 3.680505 3.60206 3.60206 3.60206 3.60206 3.60206 3.60206 3.60206 4.3745 3.60206 4.482955 NA 3.60206 3.96455 3.60206 4.385305 4.141025 NA NA NA 3.60206 3.60206 3.60206 3.60206 4.50751 3.86548 3.99809 3.60206 NA NA NA NA NA NA NA NA 172610 METHYLUNDECYLPIPERIDINE 4.74043 4.02608 4.093475 4.32662 4.085725 4.230365 NA 4.42572 4.29948 4.04532 4.120015 4.06512 4.259465 4.11082 4.35802 4.09329 4.20143 4.19989 4.142845 4.06397 4.13433 4.71184 4.12054 4.418625 4.220165 4.399115 4.455845 4.071035 4.11893 4.119805 4.18879 4.0265 4.61501 4.734195 4.84092 NA 4.35559 4.17761 4.08785 4.304445 4.50363 NA NA NA 4.06095 4.127875 4.438235 4.131535 5.00513 4.755765 4.27561 4.12309 NA NA NA NA NA NA NA NA 172946 Colchicine 7.046855 7.4609 7.35948 7.5055 7.48812 6.863405 NA 7.11011 7.357555 6.07823 7.22112 6.80272 7.03612 6.65814 7.5055 6.71839 5.31383 7.043525 7.20852 7.083825 7.32643 6.97221 6.92282 7.059415 7.225285 6.448735 7.1561 7.48812 6.421095 6.92745 6.788485 6.75196 7.48812 7.5055 7.0675 NA 5.233955 6.62069 6.85084 7.018885 7.073555 NA NA NA 5.35097 7.0483 7.074765 3.5055 7.5055 7.48812 7.5055 5.156585 NA NA NA NA NA NA NA NA 174119 Cytochalasin 6.087925 5.72256 5.742775 5.46068 5.863505 5.52337 NA 5.588545 5.979705 5.35725 5.61107 4.913645 5.27054 5.6908 6.1234 5.60924 6.56776 5.56366 5.8473 5.591795 5.880775 5.67564 5.336135 5.61849 5.8864 5.909865 5.32745 5.75092 5.64097 5.61288 5.54745 5.232115 6.54374 6.06388 5.98922 NA 6.126785 5.77496 5.84819 6.27635 6.43339 NA NA NA 5.84668 5.67209 5.8706 5.0393 6.28215 5.99238 5.90152 5.64671 NA NA NA NA NA NA NA NA 174589 174589 6.608435 5.48523 5.65384 6.070415 5.38623 5.086305 5.562095 5.64441 5.46758 5.26995 5.38124 4.57294 5.2662 5.5478 5.27717 5.500185 5.851985 5.619495 5.23018 5.252835 5.71806 5.528075 4.54535 5.6222 5.63297 5.81978 5.528975 5.645635 4.370805 5.150765 5.32405 5.51396 5.86218 5.972205 5.77885 5.904025 5.18253 5.36126 5.48559 5.353595 4.97005 5.530695 5.15965 5.099285 5.21384 4.4103 4.98489 4.54121 5.98642 5.576165 5.45563 5.53375 5.41808 5.20042 5.12177 5.79163 6.27999 6.664015 5.97049 4.701645 175151 21 8 7.675535 6.3141 7.633355 7.57109 6.83691 7.35984 7.48362 7.34267 7.46905 7.83313 6.35264 7.932875 7.65968 7.610575 7.323705 8 7.81269 7.55077 7.30568 7.70013 7.85501 7.07009 7.18907 4.66453 8 4.766815 6.81617 8 4.58162 7.3518 7.55739 7.74088 5.59343 4.92098 7.18713 7.69349 5.300595 7.79567 7.922535 7.978445 6.94338 8 8 6.77721 7.5138 8 4.71082 7.084 6.270515 7.87015 4.67879 7.85122 8 8 7.76818 4.72397 7.63654 7.40672 NA 176324 Hydroxy 5.81229 4.759795 4.50571 6.04573 5.4612 5.51517 NA 5.49034 5.73407 5.753485 5.80993 5.342705 5.516025 5.57908 4.493725 5.28506 4.489955 5.51947 5.73497 5.55618 5.96575 6.63182 5.95437 5.679445 5.55948 5.876965 6.13107 6.23617 5.16874 5.496355 5.53045 5.09407 5.94257 5.752645 5.77743 NA 4.91656 5.403205 5.87865 5.686145 5.23497 NA NA NA 5.17586 4.41295 6.346955 5.35362 5.48156 5.675995 6.46059 5.21611 NA NA NA NA NA NA NA NA 176326 9-Chloroellipticine 5.86639 5.13422 5.73585 5.43281 5.08981 5.527255 NA 5.50227 5.68185 5.469515 5.391305 5.81157 5.88215 5.45648 5.33641 5.65895 5.52719 5.68021 5.71274 5.618795 5.67377 5.721825 5.12903 5.980925 5.836045 5.86871 5.74229 5.72365 5.725825 5.93961 5.552545 5.2772 5.87725 5.795485 6.00354 NA 5.57412 5.53072 5.42682 5.81942 5.86907 NA NA NA 5.217995 5.54181 5.64065 5.0975 5.784335 5.779935 5.77219 5.95562 NA NA NA NA NA NA NA NA 176327 Ellipticine 7.12323 6.216955 6.38485 6.39736 6.3197 6.554725 NA 6.366985 6.45907 6.56784 6.455875 6.98805 7.30242 6.36705 6.703255 6.436445 6.49217 6.75389 6.91976 6.543705 6.42146 6.915095 6.47374 7.25589 7.31691 6.99486 6.92906 6.350685 6.97459 6.735175 6.444145 6.31523 7.12996 7.01954 7.09896 NA 6.272805 6.550355 6.32566 6.26234 7.041715 NA NA NA 6.30935 6.20244 6.62719 6.383345 6.35624 6.797505 6.575325 6.56037 NA NA NA NA NA NA NA NA 176328 Ellipticine 6.87628 6.01407 6.091785 6.11771 6.084865 6.2617 NA 6.11576 6.46502 6.400385 6.21198 6.72907 7.01694 6.210265 6.13585 6.37083 6.13546 6.56605 6.74173 6.45081 6.20332 6.70576 6.388015 7.03983 7.118205 6.76831 6.814875 6.140435 6.782845 6.60446 6.31667 6.20109 6.83801 6.76475 7.353435 NA 6.09609 6.42712 6.07477 5.87445 6.522285 NA NA NA 5.9926 6.092355 6.77451 6.119255 6.09943 6.71959 6.65248 6.51577 NA NA NA NA NA NA NA NA 176503 Fastigilin 6.09677 5.23229 5.334105 5.421365 5.55627 5.504075 NA 5.89454 6.2067 5.056865 5.46955 5.290255 5.66973 5.102125 5.345215 5.11957 5.25236 5.40273 5.25812 5.25313 5.426345 5.41033 5.27829 5.70058 5.73 5.690135 5.32038 5.672575 5.31991 5.891995 5.35741 5.092615 6.05427 5.708235 5.88945 NA 5.22857 5.446975 5.23299 5.44968 5.9575 NA NA NA 5.3872 5.291755 5.69208 5.15167 6.09569 5.98073 5.4696 5.33713 NA NA NA NA NA NA NA NA 177365 1-Propanesulfonamide 4.81587 5.00733 4.69262 5.23564 4.72463 5.27657 4.62559 4.99498 5.150915 5.32465 4.78248 4.93162 6.53227 4.840115 5.31001 5.60467 4.86366 5.38706 5.13614 4.69505 4.71161 4.76865 4.83364 4.85871 4.84265 4 4.98253 4.83789 4.64324 4.68902 4.7073 4.74486 5.15173 4.71744 5.66305 5.26618 4 5.31785 4.75777 4.45002 4.681895 4.81428 4.71001 4.72104 4.65004 4.93181 4.88385 4.53369 4.53679 5.28817 5.59728 4.70732 4.93308 5.03044 4.45382 4.90329 4 4.67153 4.56459 6.13793 177499 5H-Pyrrolo[2 8.43907 8.33982 8.57788 8.39391 7.760985 8.499275 8.29953 8.44057 8.69819 7.72127 7.75476 7.52717 8.530225 8.47602 8.213055 8.20466 8.222855 8.451945 8.42168 8.414455 8.53614 8.01218 7.815535 7.80925 8.16735 8.37099 7.83491 8.550205 8.45044 8.163625 7.59046 8.17549 8.691565 8.324835 8.43902 9.36456 8.656715 8.336875 7.74642 8.26333 8.70893 8.414235 8.652155 7.5642 8.104465 6.936555 8.087695 8.08238 8.5389 8.656105 8.15994 8.031535 7.655325 8.4586 7.88209 7.846915 8.08647 7.852925 8.35954 7.85162 178249 7H-Furo[3' 4.8082 4.77607 5.73678 5.71139 4.09868 7.079295 NA 6.447265 4.93543 5.63162 6.57028 5.454905 6.59793 5.984835 5.644445 4.73167 5.42018 5.05783 5.32482 5.059475 5.15309 4.32079 5.228195 5.442965 5.15309 6.50884 6.491005 5.81414 5.37435 5.39687 5.827205 5.42239 3.90309 3.90309 3.90309 NA 5.23502 5.286245 5.00404 5.95344 4.915155 NA NA NA 5.35075 4.92296 5.662625 6.496285 4.19348 3.90309 7.90309 5.28897 NA NA NA NA NA NA NA NA 180510 Daunorubicineal 6.26639 6.328485 5.8735 5.97065 5.718805 6.256905 5.52974 5.882815 6.280555 6.038895 5.73671 5.32845 6.5092 6.073135 6.275505 5.99904 5.71528 6.092485 6.03076 5.93302 6.03033 5.67912 5.68124 6.08326 5.80778 5 5.618705 5.62 5.35306 5.912845 5.64182 5.53214 6.78894 5.96433 6.920185 6.795745 5 5.959825 5.65845 6.359575 5.828905 6.236335 5.78249 5.59441 5.839365 6.36477 5.84959 5.48366 6.784795 6.44183 NA NA NA NA NA NA NA NA NA NA 180973 Tamoxifen 5.386685 5.36963 5.36906 5.39154 5.36702 5.34929 5.3801 5.38249 5.357055 5.37675 5.30449 5.369225 5.35197 5.35659 5.41919 5.36027 5.420625 5.40313 5.379395 5.34442 5.334355 5.45905 5.406395 5.40285 5.41526 5.35718 5.39333 5.39783 5.36358 5.31711 5.35988 5.338485 5.391535 5.48661 5.40947 5.31595 5.42996 5.351445 5.37086 5.37008 5.38596 5.387925 5.33606 5.396055 5.355505 5.31007 5.409725 5.38875 5.37283 5.319765 5.748855 5.37901 5.43032 5.30584 5.35229 5.34251 5.38861 5.36271 5.34373 5.52316 182986 Diaziridinylbenzoquinone A7-ALK-A7-C2-Re 5.60611 5.249655 5.207575 5.42889 4.86943 5.73808 5.597765 6.29253 5.45907 5.72817 5.22325 4.74165 6.79421 6.07567 5.29237 5.363165 5.354975 5.57458 5.535445 5.94859 5.82013 5.15437 5.17369 5.45364 5.340685 5.07794 5.03446 5.289635 5.317895 5.41142 5.248365 5.3016 5.90345 5.29893 5.83878 6.27073 5.263085 5.84989 5.41167 5.85522 5.35327 5.82599 6.150555 4.46715 5.33642 5.407915 5.13024 5.146045 6.39323 5.39785 5.65426 5.35112 NA NA NA NA NA NA NA NA 192965 Spirogermanium 6 5.81192 5.81994 5.902305 5.9508 5.72633 6 5.94065 5.74929 5.67125 5.61603 5.72503 5.89906 5.820645 6 5.8241 5.87774 5.798225 5.696115 5.77582 6 5.898615 6 5.926115 5.81432 5.85763 5.76688 5.68252 5.58843 6 5.76125 5.63251 5.86082 6 5.80785 6 5.870235 5.80423 5.95471 5.77554 5.90708 5.96368 5.78323 5.780125 5.82988 5.66014 6 5.68943 6 5.95758 5.857265 5.77208 5.84139 5.55811 5.919025 5.94851 6 6 5.78437 5.90471 194617 Isoquinocycline 6.30446 6.04182 5.79051 5.51405 5.76449 5.80688 5.88601 5.93481 6.51262 6.40031 5.99429 5.70534 6.39519 5.98845 5.78622 5.630975 5.74098 5.815875 5.70268 5.80317 5.92306 6.1533 5.9552 6.24163 6.06685 5.6571 5.98241 5.99327 5.65216 5.96116 6.28662 5.68205 6.469125 6.028625 6.476025 6.541615 5.753275 5.8253 5.89586 5.82416 5.97832 5.95322 6.21314 5.76562 5.80183 6.153985 6.07561 5.50682 6.22335 6.02292 5.95246 5.462685 5.90394 5.96978 5.81583 5.74398 5.78059 5.72475 5.25508 5.56399 201241 201241 4.10551 4.76474 4.556595 4.15147 4.060845 4.07623 NA 4.348745 4.87708 3.888205 4.54592 4.42961 4.187385 4.196365 4.47546 4.41275 4.25968 4.765975 4.601905 3.98404 4.19428 4.011115 4.56432 4.49266 4.11177 3.826445 4.46324 4.81866 4.85961 4.38341 4.04121 4.266 4.712775 4.28885 4.466185 NA 4.179515 4.40979 4.065205 4.46388 4.25454 NA NA NA 4.04445 4.1856 4.31827 4.14344 4.094765 4.08606 4.77208 3.34679 NA NA NA NA NA NA NA NA 204985 7H-Furo[3' 4.76299 4.35348 5.32433 3.90309 4.043455 5.992835 NA 6.10957 4.46519 5.55937 6.01191 4.18562 5.414475 5.11601 4.921805 4.501285 5.06045 4.82519 4.862145 4.83108 4.8637 5.63298 6.36424 4.63012 5.24837 4.87904 5.61403 4.83721 4.27051 5.15509 4.81255 4.826205 4.7917 3.90309 5.49457 NA 5.384595 5.764235 5.04908 5.83268 4.69026 NA NA NA 4.438615 4.78386 5.62741 5.11951 5.21954 3.90309 7.597255 5.2763 NA NA NA NA NA NA NA NA 207111 207111 3.924925 3.613395 3.62216 3.569235 3.62883 3.76073 NA 3.835955 3.86904 3.506905 3.6233 4.022925 3.88972 3.520115 4.79139 3.565755 3.69506 3.77257 3.67807 3.517325 3.659195 3.55858 3.64666 3.92827 3.658355 3.829 3.698195 3.67327 3.564025 3.61245 3.74218 3.77682 4.00485 3.58026 3.747035 NA 3.857895 3.831495 3.69535 4.06062 3.85718 NA NA NA 3.62414 3.62102 3.63719 3.544455 4.00182 3.854985 3.77666 3.86747 NA NA NA NA NA NA NA NA 208734 Aclacinomycin 9 8.300675 7.9883 8.270605 8.253885 8.148185 7.818785 8.40905 8.29478 8.93152 7.428845 8.180795 9 8.22518 8.28332 8.11854 8.194655 8.28107 8.65479 8.205245 8.48301 9 7.958665 9 9 8.365715 8.901535 8.238385 8.481445 9 8.741985 7.79118 9 9 9 9 9 8.962995 7.834295 9 8.57068 8.969655 9 7.88385 7.97845 7.99575 8.54952 8.212565 8.70899 8.25931 9 7.65173 8.332145 8.16036 8.80476 8.14562 8.69088 8.942005 7.90431 8.23378 208912 CC 3.97129 3.87132 3.98084 3.9838 3.679665 3.815045 NA 3.99455 3.90717 3.77538 3.65328 3.779215 3.843985 3.854215 4.080865 3.79981 3.89035 3.91633 3.7665 3.85617 3.9152 3.952555 3.79145 3.94053 3.88816 3.90556 3.81303 3.92879 3.67534 3.81012 3.696265 3.82763 3.87549 3.93924 3.92198 NA 3.83094 3.78643 3.93536 3.82349 3.81593 NA NA NA 3.92876 3.83556 3.9415 3.874295 3.97049 3.93163 3.84918 3.84573 NA NA NA NA NA NA NA NA 208913 CC 3.8654 3.72513 3.63391 3.95693 3.465235 3.690685 NA 3.757105 3.84407 3.71199 3.330425 3.30103 3.65138 3.32786 4.001325 3.30103 3.93144 3.47951 3.514835 3.693485 3.47396 3.67653 3.4989 3.74765 3.66514 3.736575 3.627145 3.827805 3.69555 3.60831 3.39463 3.37001 3.82097 3.77689 3.94359 NA 3.79215 3.383 3.93837 3.63895 3.83583 NA NA NA 3.82612 3.67528 3.66652 3.30103 3.99913 3.88976 3.77483 3.8336 NA NA NA NA NA NA NA NA 208914 CC 3.64668 3.88425 3.90007 3.87051 3.7701 3.735395 NA 3.905885 3.84508 3.625075 3.63659 3.549395 3.84761 3.699455 4.04174 3.566325 3.8483 3.530635 3.56647 3.48601 3.73423 3.52349 3.73838 3.764045 3.61808 3.659635 3.786125 3.84073 3.572865 3.309995 3.78863 3.25964 3.762785 3.637025 3.73969 NA 3.77916 3.59179 3.82129 3.77402 4.03535 NA NA NA 3.79606 3.54137 3.8678 3.390455 3.748845 3.59551 3.87601 3.48603 NA NA NA NA NA NA NA NA 208915 CC 3.923635 3.83723 3.87608 3.97289 3.56433 3.60488 NA 3.97051 3.82561 3.68514 3.57462 3.65802 3.68487 3.63262 4.1097 3.43076 3.867565 3.53376 3.53811 3.60871 3.585445 3.801385 3.65423 3.744025 3.551975 3.677925 3.54555 3.77598 3.71682 3.544265 3.62208 3.594525 3.70017 3.6982 3.84117 NA 3.8264 3.54767 3.7805 3.72766 3.744795 NA NA NA 3.86989 3.80925 3.86136 3.7768 3.940615 3.84727 3.77087 3.70855 NA NA NA NA NA NA NA NA 209835 [11]Cytochalasa-6(12) 7.05375 4.51836 4.60432 6.396205 5.647025 4.81099 5.497 5.58561 5.272455 6.571275 6.23444 4.216485 6.472735 7.40993 6.766385 6.5835 7.769055 7.18671 6.05474 6.50464 6.88182 7.01318 4.2867 4.79276 4.063605 5.23197 4 4.24035 5.74173 4.05588 6.09016 5.79365 4.95893 4.44958 4.814075 4 6.32361 4.411605 6.8118 7.54902 7.24659 5.68868 5.89362 6.13555 4.76584 5 6.25611 4.07527 5.53557 5.396355 5.27271 4 4.93132 4.71865 6.71467 7.25891 5.63483 5.75603 NA 5.28943 210717 6H-Pyrido[4 1.625525 0.78478 0.67898 0.88981 0.734895 1.543145 NA 1.078915 1.21548 1.88799 1.178905 1.43263 2 1.45787 2 1.206625 0.911715 1.59602 1.36395 1.546245 1.28705 0.73511 0.664695 1.70522 1.74497 1.6945 1.416165 0.968835 1.116605 1.710245 1.09326 1.26514 1.81661 1.51964 2 NA 1.06729 1.760715 0.24107 1.72764 1.00132 NA NA NA 0.567075 0.38674 0.81282 0.611785 1.497685 1.57229 1.4691 1.43208 NA NA NA NA NA NA NA NA 210753 19-Formylgeldanamycin 5.28823 5.844905 5.31699 5.456085 5.37647 6.0237 NA 5.227835 6.48873 5.640185 5.37776 5.213725 5.66282 5.069825 6.5644 5.40533 5.4936 5.82418 5.247105 5.26657 5.748335 5.41072 5.800935 5.451705 5.386955 5.2365 5.36716 6.24896 5.34892 5.329225 4.915575 4.49055 5.855215 6.067395 5.51683 NA 4.824695 5.64029 5.42642 5.29537 6.42603 NA NA NA 5.63927 5.72289 5.91256 4.359685 6.381605 6.08441 5.43171 5.27163 NA NA NA NA NA NA NA NA 210760 Streptovaricin 4.75541 4.368965 4.68185 4.33459 4.50591 4.38917 NA 4.65082 4.63269 4.12494 4.12494 4.31709 4.27197 4.12494 4.144325 4.12494 4.41109 4.16855 4.336075 4.12494 4.12494 4.447795 4.12494 4.70576 4.62455 4.65778 4.46887 4.348815 4.12494 4.50065 4.12494 4.12494 4.71889 4.54581 4.72917 NA 4.12494 4.157155 4.12494 4.42333 4.644445 NA NA NA 4.523925 4.15217 4.576495 4.12494 4.7335 4.785295 4.68702 4.20879 NA NA NA NA NA NA NA NA 210761 Streptovaricin 4.69747 4.52976 4.58421 4.49087 4.497915 4.62635 NA 4.672695 4.53356 4 4.43154 4.31213 4.485285 4 4.98369 4 4.34295 4.24473 4.310235 4 4.33166 4.36579 4.42273 4.720315 4.525605 4.526025 4.575625 4.590795 4.03615 4.375785 4.465055 4 4.641565 4.606575 4.6491 NA 4 4.44172 4 4.390185 4.67553 NA NA NA 4.65441 4.28666 4.75603 4 4.663615 4.67922 4.7467 4 NA NA NA NA NA NA NA NA 211500 Nagilactone 6.11878 5.74803 5.670505 6.154295 5.87427 5.86006 NA 5.92723 5.992175 5.567575 5.620105 5.78529 5.8876 5.6776 5.828245 5.88694 5.686205 5.785395 5.715715 5.65751 5.970265 5.79214 5.890185 5.95052 5.859355 5.689765 5.85805 5.823465 5.76752 5.735615 5.60175 5.57659 6.08145 6.005815 6.06075 NA 5.18351 5.754055 5.655075 5.773865 5.57587 NA NA NA 5.801345 5.79765 5.9174 5.15537 6.28121 5.936285 5.88519 4.86125 NA NA NA NA NA NA NA NA 212509 Ergosta-2 NA 6.54525 6.28836 6.53238 6.641745 6.79664 NA 6.81849 7.372035 5.30659 6.12165 5.88799 6.01381 5.98728 7.53584 5.68054 7.31974 5.84197 6.41937 5.46732 6.02845 6.75907 5.76792 6.748 6.79849 6.80766 6.196215 7.226035 6.36639 6.80248 5.95081 5.18644 7.074 7.41216 6.90099 NA 5.96289 6.0364 6.42534 7.60206 7.189915 NA NA NA 6.47314 4.959285 7.33664 5.83198 7.60206 7.24257 6.72365 5.18828 NA NA NA NA NA NA NA NA 215139 10H-Benzo[b]xanthene-7 6.27173 5.93662 6.04902 6.00476 5.59162 5.951645 NA 5.89023 6.19524 5.75055 5.80545 5.68117 5.89611 5.95995 6.11779 5.5774 5.96836 6.05982 5.35148 5.94916 5.80509 4.70241 5.003575 5.92242 5.777335 5.92097 5.48895 6.01701 5.896245 6.415825 5.9398 5.76795 6.11606 6.098275 6.07369 NA 5.94243 5.83054 5.82961 5.9673 5.99784 NA NA NA 5.9391 6.798945 4.740005 5.5803 6.424225 6.241195 5.77425 5.98248 NA NA NA NA NA NA NA NA 217906 2-propenamide 5.8063 6.139465 5.74597 5.54368 5.85831 5.56612 5.40062 5.55917 5.38695 5.38122 5.50182 5.58029 5.44225 5.46735 5.453825 5.36858 5.74918 5.31379 5.68542 5.48687 5.649735 5.5722 5.40469 5.89361 5.55225 5.48505 5.54128 5.51141 5.388235 5.542645 5.417485 5.402985 5.57643 5.4597 5.62927 5.51977 5.69113 5.37984 5.587915 5.5109 5.70247 5.5068 5.5668 5.47353 5.39244 5.54079 5.665735 6.82307 5.62742 5.62662 5.4847 5.539335 5.524565 5.46392 5.431385 6.82513 5.44539 5.419035 5.65811 5.455955 224131 N-phosphonoacetyl-L-aspartic-ac RO-anti-RNA-Rs-Ds-Nr-Dd 4.262325 2.43266 2.137205 4.09128 3.72188 2.40465 3.53903 4.09584 3.00622 4.35972 2.77004 2.14565 4.50995 3.53859 3.19879 4.273235 2.14318 4.41944 4.02261 4.40909 4.117165 3.788 2 4.66163 3.524095 3.79355 4.025745 3.26701 2.70757 4.062605 3.51502 2.007075 3.25341 4.149625 3.53773 3.642325 3.13094 3.145525 2.59499 3.46228 3.5824 4.35865 3.42173 3.051485 2.36859 2.53815 3.24 2 3.625495 3.597755 3.51706 3.1234 2.98354 3.06925 2.88859 2.387115 4.424705 3.89032 2.493135 2.38079 224369 3(2H)-Pyridazinone 5.84899 5.52038 5.40526 5.76215 5.75084 5.7207 5.75541 5.77604 5.87128 4.77093 5.26479 5.75591 5.39608 4.96545 5.70265 5.46802 5.76013 5.746525 4.91709 5.285445 5.324325 5.75817 5.39606 5.76059 5.7582 5.73349 5.02734 5.72496 5.660165 5.620515 5.742435 5.077635 6.24958 6.03094 5.81449 5.55358 5.72144 5.51176 4.76825 5.728285 5.721065 5.23164 5.3671 4.86173 4.88633 5.11811 5.78094 4.70528 6.03462 5.15548 5.390445 5.699585 5.265735 4.833235 5.75079 5.59187 5.745805 5.669355 5.76259 5.36362 226080 Rapamycin 5.61927 NA 4.76074 4.775815 NA 4.67852 NA 6.52041 4.87935 4.95507 NA 4.91059 4.92933 5.11917 5.45937 4.98595 NA 4.93674 4.81901 NA 5.2042 NA 4.830205 4.77978 4.59671 4.82502 4.9225 4.9981 NA 4.93015 NA NA NA 5.30703 4.691285 NA NA 4.847715 NA NA 4.99342 NA NA NA 4.8723 4.82512 4.82383 4.69369 4.715685 NA NA 4.89629 NA NA NA NA NA NA NA NA 227279 1 6.692 6.72505 5.88591 6.27217 6.29234 6.56845 6.799985 5.96529 7.03077 5.833465 5.74104 5.78393 5.98877 5.90207 6.527075 5.705275 6.370265 5.68479 6.114845 5.78175 6.10894 7.08847 5.65977 6.53064 6.924565 6.78942 5.8152 6.02123 6.68844 5.805935 5.77002 5.0917 7.269375 7.182345 7.33862 6.94302 5.795025 6.5219 5.78226 6.57875 6.49514 6.69747 6.503405 6.466505 6.644715 5.7203 7.24258 5.687795 7.391145 6.699885 6.78805 5.68195 5.72883 5.728895 5.87026 5.786725 6.43981 6.623985 6.6905 6.49334 233872 233872 3.317065 3.5241 3.26393 3.05799 3.05799 3.15667 NA 3.05799 4.35744 3.05799 3.41071 4.265035 3.168105 3.14466 3.353725 3.05799 3.05799 3.305975 3.63228 3.05799 3.05799 3.09281 3.73986 3.34717 3.31252 3.32595 3.080565 4.291455 4.40353 3.38496 3.05799 3.05799 3.8479 3.9382 3.65159 NA 3.30021 3.44564 3.05799 3.31685 3.05799 NA NA NA 3.05799 3.05799 4.06042 3.152165 3.700565 3.05799 4.40731 3.1278 NA NA NA NA NA NA NA NA 236580 Destruxin 5.94568 5.29572 5.55914 5.91562 4.27555 4.92886 5.72518 5.64858 5.21769 5.29975 5.37892 4.97652 5.90382 5.59642 4.74849 4.42187 4.7602 4.98642 5.2125 5.59032 5.14898 5.83474 5.671055 5.64007 5.32129 5.28039 5.42436 5.17197 4 5.45757 5.33023 4.99296 6.14839 5.49195 5.62565 6.06099 5.165115 5.50605 4.66963 5.11808 5.41749 5.65855 5.40075 4.634645 5.1529 4 5.35341 5.31878 6.30388 5.92806 5.21038 4.79435 5.69481 5.41592 5.11968 4.58275 5.66621 5.62944 4.583275 5.47139 237020 237020 1.156305 0.24452 0.83017 1.006665 0.194165 1.094135 0.81982 0.738985 1.18343 1.11894 0.05437 0.4812 1.70533 1.13798 0.56348 0.20981 1.08902 1.120585 1.153635 1.01131 0.98679 1.15266 1.261965 1.282335 1.07476 0.60235 0.79219 0.45793 0.77019 1.16285 0.78892 0.5233 1.34794 1.55003 1.81448 1.162705 0.32534 0.81861 0.28286 1.090235 1.044005 1.26153 1.52347 0.101425 0.08421 0.46262 0.88129 0.627825 1.973345 0.99428 1.84061 0.023435 0.2364 1.12044 0.37073 0.247005 0.302545 0.556975 0.72749 0.66378 237068 Ellipticine 5.86968 5.047735 4.917415 5.34629 4 5.39977 5.14901 5.28363 5.33626 5.50038 4.93569 5.18952 5.64515 5.27393 4.803145 5.104605 5.44255 5.53267 5.39485 5.443805 5.50702 5.437875 5.14907 5.88906 5.77693 5.32219 5.31394 4.96302 5.11552 5.56011 5.16089 4.984305 5.6279 5.391325 6.08608 5.89087 5.243875 5.29876 5.27118 5.15182 5.34834 5.56304 5.712395 5.27376 4.77689 5.458885 5.63299 5.37613 5.17433 5.239065 5.917415 4.68054 5.29845 5.05933 5.36855 5.45091 5.17999 5.38167 5.01565 5.66915 237106 2-Hydroxy-2-deaminoactinomycin 6.26852 5.704135 5.71055 5.375765 5.29992 5.49914 5.30357 6.03842 6.52954 5.606655 4.849175 5.43198 6.36972 5.52163 5.16966 4.90694 5.49684 5.97974 5.27778 5.43622 6.077305 6.14405 5.500345 6.25858 5.96331 4.85395 5.48799 5.31681 4.7077 5.73222 6.44836 5.00915 6.15476 6.09974 6.22162 6.92604 4.87066 6.06503 5.23993 5.11923 5.595865 5.41449 5.36952 4.9214 5.47377 6.03381 5.91168 5.00169 5.46801 6.07219 5.956495 4.6274 5.48749 5.17831 6.01638 4.99725 5.19 5.286 5.23619 5.57521 237671 Actinomycin 6.8532 6.426745 6.53587 6.759075 6.21104 6.05659 5.72069 6.48844 6.60364 6.0888 5.52648 5.97087 6.67535 5.76653 6.12264 6.09211 5.96766 6.616145 5.88048 6.10069 6.458095 6.31803 6.06072 6.49671 6.37476 5.09754 6.07048 5.79279 5.17482 6.32053 6.99901 5.506 6.81234 6.81583 6.77559 7.63155 5.71149 6.32635 5.8131 5.42426 6.06268 5.96898 5.91395 5.14286 6.23493 5.8688 6.14866 5.33881 6.13704 7.007 6.46934 4.70104 5.74742 5.65232 6.07327 6.03026 5.95629 6.09986 5.610705 6.09152 239375 239375 4.78097 4.8331 4.68601 4.82569 5.11977 4.77017 4.95038 4.75682 5.59197 4.67719 4.71929 4.696355 4.66682 4.70321 4.76297 4.80298 4.72782 4.71317 4.77691 4.64126 4.77473 4.81163 4.70993 5.35312 5.43872 5.02071 4.71998 5.43915 5.0281 4.81614 4.68398 4.62759 5.60556 5.44404 5.519425 5.50206 4.76955 4.7975 4.6948 4.84395 4.93491 5.04494 5.046325 4.79529 4.83206 4.80228 5.39147 4.6926 5.67014 5.25895 5.53322 4.75635 5.05414 4.69131 4.8733 4.818695 4.79701 4.800705 4.952995 5.438105 239400 5 5.64188 5.45107 5.08386 5.61168 4.92184 5.38598 NA 5.49294 5.59599 5.61491 5.07597 5.02452 6.34798 5.54555 5.32919 5.6023 5.36328 5.70066 5.35372 5.47697 5.42673 5.34526 5.2738 5.748125 5.60453 4.87765 5.15876 4.85334 5.0182 5.36589 5.44467 5.20387 6.21228 5.52822 6.53972 NA 4.72766 5.61021 4.98858 5.669965 4.98752 NA NA NA 4.89227 5.70547 5.33494 4.87443 6.07209 5.79438 6.11719 6.02429 NA NA NA NA NA NA NA NA 241240 Carboplatin A7-ALK-A7-C1 4.15379 4.13384 3.60206 3.9297 3.65134 4.194805 3.93966 4.365015 4.21979 3.95315 3.60206 3.60206 4.469725 3.80921 3.8471 3.75397 3.98431 4.171085 4.24976 4.171195 4.07922 3.60206 3.60206 3.60206 3.60206 3.60206 3.60206 4.214025 4.11085 3.60206 4.24698 3.60206 4.10206 3.60206 4.02451 4.19357 3.687845 3.7641 3.60206 4.03466 4.05232 4.01779 4.06251 3.60206 3.905925 3.95644 3.60206 3.60206 4.570165 3.60206 3.80814 3.638665 3.60206 3.82943 3.60206 3.903115 3.66874 3.640325 4.0081 3.60206 241509 2-Propenamide 5.117515 5.57253 5.154935 5.431255 5.158575 5.11861 NA 5.121495 5.238025 5.008335 5.13094 5.41746 5.46552 5.05189 4.927925 5.275085 5.13677 5.32278 5.65362 5.097965 5.10648 4.84979 5.02231 5.006225 4.79733 4.4658 5.12588 5.315035 6.69192 5.142125 5.16092 5.03283 5.173885 5.05938 5.11285 NA 4.885385 5.217695 5.15047 4.79204 4.95942 NA NA NA 4.95591 5.01488 4.707025 4.86997 5.08876 4.98517 5.058385 4.85367 NA NA NA NA NA NA NA NA 241906 1-Propanone 5.218235 5.303805 5.333785 5.462875 5.13407 5.36137 NA 5.357575 5.45502 5.23291 5.170835 5.17143 5.330015 5.340285 5.406045 5.17997 5.27667 5.33377 5.15088 5.17562 5.2831 5.02428 5.19605 5.360075 5.13713 5.197495 5.17117 5.264255 5.27038 5.15892 5.1417 5.19734 5.20146 5.28396 5.36557 NA 5.29117 5.33352 5.36338 5.29049 5.223145 NA NA NA 5.31933 5.21295 5.19313 5.08565 5.35752 5.606515 5.24608 5.24313 NA NA NA NA NA NA NA NA 242557 Propanedinitrile 5.97943 6.29928 6.16456 6.28834 6.01739 6.19031 5.81132 6.27792 6.897765 6.33888 6.08531 6.17038 6.83398 6.11416 7.21952 6.29056 5.91239 6.13767 6.50779 6.34239 6.53468 6.14038 6.01826 6.27369 6.03687 6.11946 6.2495 6.588 6.14014 6.51937 5.96061 6.0702 6.39166 6.19798 6.26363 6.14056 6.26052 6.77852 6.801 6.92962 6.03942 5.96609 6.18056 5.87087 6.55196 5.97491 6.22699 5.39492 6.12139 7.254095 NA 7.2013 7.451 7.04873 7.03484 6.87639 6.59833 6.46103 6.84994 7.16835 243023 CINERUBIN 9.029105 7.97194 8.07676 7.948885 7.81495 8.13868 8.36406 8.28451 8.69621 8.56113 7.9029 8.515625 8.95802 8.37004 8.05836 8.06658 8.74148 8.21643 8.157935 8.579485 7.73741 8.727405 7.97521 8.76912 8.711505 7.98918 8.25329 8.235705 8.36102 8.46231 8.610525 8.44163 8.6874 8.98338 8.64547 9.46386 8.725335 8.34671 8.09595 8.67705 8.72488 9.06493 8.71362 8.39596 7.70134 8.49856 8.79611 8.614535 8.401355 8.50595 8.35839 8.30499 8.45232 8.4483 8.36269 8.44966 8.38075 8.65823 8.792395 8.46119 246131 Pentanoic 6.86922 6.14833 6.017325 6.49482 5.78928 6.45367 6.16667 6.61109 6.16573 6.6791 5.73757 5.62304 7.60505 6.76365 6.48761 6.48266 6.12544 6.55612 6.37448 6.49861 6.47547 6.13106 5.8855 6.5555 6.55708 5.83647 6.11605 5.50749 5.6813 6.23739 5.87067 6.4648 7.00423 6.471865 7.71291 7.56892 5.90581 6.53427 6.34343 6.69261 5.97259 6.63526 6.41493 5.56373 5.85948 7.39715 5.87773 5.817875 6.87242 6.81867 NA NA 5.94526 6.43848 5.52297 5.76321 5.68332 5.93762 5.67477 6.26782 249992 Amsacrine T2-T2-T2-Db-In 6.703275 6.17951 5.415295 6.44821 5.524925 6.856085 6.6207 6.62916 6.21282 7.60206 5.55666 5.40503 7.60206 7.16393 6.2031 6.48301 6.33704 6.79451 6.308335 6.96374 6.69288 5.69458 5.86917 6.07437 6.23195 6.13276 5.82163 5.51799 5.396875 6.23219 5.530705 6.34551 7.379405 6.06302 7.60206 7.60206 6.08606 6.86616 6.47751 7.11219 5.66316 6.83791 7.41187 5.526255 5.49759 6.95295 5.52414 5.732465 7.558215 6.4209 7.026725 5.325005 6.498425 7.427165 5.45626 5.56657 5.361645 5.41719 5.946165 6.101305 249995 1.xi. 4.853575 4.7593 4.662795 4.33933 4.63776 4.903275 NA 4.801505 4.99004 4.283585 4.93203 4.38557 4.84339 4.15711 4.65621 4.35227 4.238255 4.33642 4.60196 4.3788 4.904435 4.654985 4.521475 4.822875 4.80836 4.5965 4.70694 4.568355 4.577175 4.66105 4.778375 4.297945 4.97195 4.845575 4.91228 NA 4.068275 4.700835 4.8287 4.67358 4.66296 NA NA NA 4.53094 4.533955 4.86531 4.12936 4.95203 4.9649 4.72251 4.81994 NA NA NA NA NA NA NA NA 251699 DICENTRINE-(-) 5.421525 5.04948 4.95555 5.00657 4.915595 4.97592 NA 5.052085 5.17229 5.010375 4.939385 5.27041 5.45525 5.073375 5.191975 4.84018 4.933155 4.89833 5.0286 5.18346 5.13847 5.2045 5.019355 5.51793 5.37846 5.21752 5.06242 4.86387 5.0656 5.33929 5.10627 4.768955 5.24945 5.29664 5.604555 NA 4.90105 5.181815 5.17428 5.163295 5.08518 NA NA NA 4.96289 5.115745 5.32716 4.955305 5.01597 5.2256 5.70465 5.26065 NA NA NA NA NA NA NA NA 251819 2-Propenamide 4.89344 4.90497 4.87585 4.738725 4.757275 4.91625 NA 4.917455 4.987065 4.611945 4.76274 4.886815 5.064345 4.802475 4.969415 4.852785 5.08111 5.33253 5.470925 4.847795 4.842055 3.85138 4.721305 4.709075 4.41058 4.35899 4.75837 5.093725 5.63261 4.75633 4.91882 4.68047 4.814595 4.734995 4.731105 NA 4.70222 4.8399 4.67665 4.80679 4.653885 NA NA NA 4.635945 4.73993 4.495265 4.006385 4.755295 4.43838 4.70388 4.59586 NA NA NA NA NA NA NA NA 251820 251820 4.83431 5.028755 4.79991 4.703055 4.544415 4.78826 NA 4.641035 5.984995 4.145895 4.84599 5.52932 4.871465 4.525045 5.90874 4.823665 4.75416 5.048905 5.09706 4.01792 4.418395 4.77822 5.01157 4.94244 4.79284 4.775225 4.911845 5.692325 5.6968 4.98454 4.555675 4.92002 5.61998 5.249985 5.12655 NA 4.833295 5.07274 4.61068 5.06168 4.53662 NA NA NA 4.278355 4.35271 4.91685 4.1751 4.999545 4.253125 5.72923 4.70838 NA NA NA NA NA NA NA NA 253272 Caracemide 4.50474 4.133815 4.42906 4.129895 3.945915 4.36972 5.03239 4.22695 4.5489 3.8779 3.92477 3.85815 3.962805 3.78865 4.76955 3.78465 3.84934 3.920045 4.00461 3.8757 3.97146 4.137785 3.85454 4.18525 4.08803 4.37975 4.128535 4.13191 3.83899 3.91359 3.968445 3.91215 4.83258 4.54863 4.772 5.13632 3.85859 3.97222 3.848575 4.07767 4.46601 4.92475 4.73179 4.608115 3.95794 3.80768 4.28959 3.77707 4.90946 4.64425 4.1163 4.05157 4.632835 4.483525 4.785795 4.380065 4.815155 4.65222 4.67711 5.01707 254681 5(8H)-Naphthacenone 6.56864 6.3412 5.69787 6.52144 5.69484 6.92755 NA 6.54324 6.70507 7.08774 5.793285 5.57277 8 7.29275 6.60067 6.84259 6.80709 7.03069 6.62544 6.70201 6.9438 6.34988 6.16708 6.66909 6.68902 5.34643 6.54229 5.79977 5.6585 6.40284 5.88848 6.35768 7.788265 6.200755 8 NA 5.03429 6.81075 5.938855 6.720525 5.87754 NA NA NA 5.65053 6.83949 6.19082 5.87633 7.89432 6.87408 7.07135 7.62311 NA NA NA NA NA NA NA NA 255105 GELDANAMYCIN 7.13716 7.746295 7.262595 6.871645 7.96938 7.49426 7.33023 7.366375 8 5.25479 5.27443 4.89119 6.477655 5.04057 7.8563 4.83866 4.88537 4.92441 6.280645 4.904855 6.282835 8 6.55444 7.63116 8 6.89976 5.663715 7.33479 6.02359 7.13259 6.352975 6.913105 7.809555 8 8 8 7.05102 7.603905 4.89878 6.534195 8 7.65625 6.66595 7.22841 7.29432 5.7562 8 5.39551 7.984235 7.38481 NA NA 6.03057 7.338505 7.49407 7.20182 7.4658 7.90804 4.99491 8 256439 4-DMD 7.66981 NA 6.56475 7.66405 6.82154 7.70516 7.38572 7.52502 7.738085 7.62309 6.6749 6.788055 9.22559 7.90845 6.46053 7.43182 7.53338 7.56376 7.586865 7.85609 7.66108 7.625 7.46329 7.555275 7.71057 7.53625 7.38276 6.86899 6.43308 7.48961 7.61257 7.14026 8.66918 7.5743 8.740525 7.534275 7.35245 7.68359 NA 8.04862 6.824245 7.819005 8.23869 6.94991 6.8909 7.79444 6.82331 6.73959 8.72824 7.5159 8.13831 6.55257 6.37705 7.5751 6.71256 6.59615 6.92287 6.97536 6.64749 7.20868 256927 Iproplatin A7-ALK-A7-C1 4.72537 4.727765 4.37873 4.681215 4.427675 4.56066 4.37508 4.54171 4.75155 4.43718 4.18446 4.502465 5.02113 4.29757 4.29334 4.23809 3.97704 4.58348 4.40027 4.30491 4.33135 4.82764 4.010305 4.72751 4.64535 4.43125 4.019795 4.64876 4.540515 4.4719 4.52317 4.5769 5.27161 4.4963 4.93255 4.91457 3.798105 4.49571 3.77966 4.52934 4.557555 4.451735 4.871905 3.74675 4.031065 4.20013 4.57264 4.1877 4.79756 4.481995 4.67851 4.23423 3.98151 4.41424 4.198775 3.97337 4.58436 4.68119 4.41299 4.299285 256942 5 7.282575 6.865395 6.69316 6.90852 6.33297 7.11741 6.13964 6.92331 6.93089 7.278 6.73479 6.10733 7.597195 6.89935 6.64216 6.99797 6.69011 7.31334 6.60397 6.47569 6.55638 6.41686 6.50334 7.17702 6.95823 5.40426 6.45505 6.34126 5.936325 6.73946 6.67524 6.48036 7.64051 6.46441 8 8 5.17748 6.89362 NA 6.570115 6.48832 6.9911 6.593065 6.13852 6.5139 7.36017 6.32149 6.33398 7.3764 7.10581 NA NA 6.625 6.57644 6.0226 8 6.217 6.94899 6.35879 7.02603 258812 5 8.46467 7.3699 6.94415 7.304425 7.18576 7.404575 7.27876 7.465795 7.523935 7.09148 6.90009 7.41667 8.131995 6.93294 6.85972 7.400005 6.80703 7.350565 7.88924 7.56225 7.77469 8.270225 7.404535 8.67943 8.278485 7.65479 7.778195 6.962995 7.04077 8.1553 7.635555 6.70309 7.4885 8.2786 8.27946 8.62514 7.20833 8.043935 6.86905 8.007815 7.336505 7.20476 8.25421 6.89914 7.29612 7.586125 7.90741 7.39798 7.393885 8.03011 NA NA NA NA NA NA NA NA NA NA 259968 Bouvardin 8.54781 7.77959 9 7.90065 8.77104 8.08197 NA 8.60289 9 7.36937 7.749225 8.18682 7.908555 7.32716 8.50664 9 8.86122 9 8.96453 7.53595 8.519705 7.87942 7.90474 8.69995 7.8071 6.15389 8.60224 7.96619 8.19578 7.79825 7.84585 7.70275 9 7.38473 8.74182 NA 6.04926 7.809865 7.645005 6.12883 7.50985 NA NA NA 8.20213 8.09342 7.59514 7.45534 8.64826 8.412695 8.55252 5.36395 NA NA NA NA NA NA NA NA 261726 3-Deazaguanine 4.91284 4.591255 5.03833 4.19306 4.361005 4.464265 4.47066 4.835155 4.83126 4.6642 4.23064 3.62525 4.943205 4.68029 3.52288 3.52288 3.899775 4.60954 4.69835 3.52288 4.777085 4.70208 4.53322 4.83921 4.75425 4.713125 4.35621 4.84056 4.71779 4.65157 4.66547 5.17719 5.104005 4.840395 5.17763 5.04119 4.53272 4.76142 4.23346 5.17073 4.71887 4.671445 5.04365 4.81342 4.15497 3.925365 4.423005 4.52675 5.23406 4.97029 4.57452 4.38525 5.049235 5.273495 4.52487 3.52288 4.84505 4.7996 3.52288 4.008325 264054 Azuleno[6 6.06239 5.68816 5.691425 5.6137 5.78909 5.71998 5.77329 5.74873 6.26962 5.09487 4.8942 5.00052 5.52856 4.797575 5.72637 4.99375 5.22435 5.14709 5.5729 4.79688 5.65223 5.80605 5.32456 5.86551 5.9941 5.73212 5.46059 5.50544 5.530475 5.47578 5.47325 4.80353 6.39483 5.80159 5.83631 6.08385 5.47903 5.69479 4.94085 5.66288 5.815145 5.754295 5.51205 5.6817 5.693805 5.57901 5.83704 5.53606 5.97853 5.76842 NA NA 5.62558 5.26724 5.72399 5.73327 5.47967 5.68485 5.57879 5.62966 264137 H9M2E 4.41861 5.42162 4.01649 5.1973 4.882595 4.90275 5.96605 4.6614 5.20114 6.22946 4.46453 4.84774 6.35029 5.3875 4.507335 5.95511 5.51131 5.85448 6.44069 5.11324 4.71017 4.08752 4.25563 4.51548 4.77951 4.18991 5.33223 4.49043 4.4785 4.7326 4.72379 4.26757 5.21998 4.63586 6.405715 6.70618 4.680675 6.22744 4 4.27631 4.14443 NA NA 4.16645 4.02202 5.56995 4.67242 4 4.69258 4.306485 4.738685 4 4.54737 5.26294 4.29319 6.41233 4.31072 4.32058 5.43133 6.60048 264497 Benzoic 6.51378 5.512585 5.362805 5.29013 4.750995 5.73383 6.2128 5.52858 5.9213 5.01865 4.82255 5.12787 5.56291 5.515815 6.06425 4.64353 5.823595 5.558455 5.73264 5.54927 5.71864 5.79839 5.35528 5.76762 5.81625 5.70849 5.44863 5.8548 5.45651 5.69567 5.34329 6.20813 6.37032 6.408495 6.17921 5.95951 5.58272 5.690575 4.78553 5.74554 5.00762 5.86727 5.54463 5.68446 5.17071 5.69342 5.78436 5.684 5.90499 6.22695 5.68615 5.68725 5.51116 6.03254 5.28537 5.272705 5.64559 5.81452 5.52988 6.3339 264880 5-6-Dihydro-5-azacytidine RO-anti-RNA-Di-Me-Dd 5.66928 4.96889 6.0239 4.30717 4.28634 4.00348 5.160745 4.75388 5.22352 4.79685 3.30913 5.02644 5.15567 3.84673 3.163785 3.81391 4.533675 4.58363 4.86293 4.371665 4.68442 4.33305 4.4495 4.82182 4.83114 5.265635 4.86855 4.392135 3.90438 3.31047 5.222235 4.034545 5.03536 5.68864 5.10195 5.34796 3.801715 3.22739 5.23345 3.95728 5.05743 5.178715 6.08363 4.93792 4.36199 5.24568 3.81245 3.890955 6.11027 5.78484 4.96043 3.13383 3.382995 3.776345 3.986165 4.61123 5.178135 5.1798 5.04362 4.933975 265203 MULTIGILIN 6.061245 6.20889 6.082545 5.95739 6.246195 6.05268 NA 6.256475 7.041715 5.35011 6.09145 5.485925 6.120265 5.14078 6.056235 5.364855 5.35117 5.89998 6.01987 5.34475 6.203455 5.900155 6.02372 6.29534 6.25345 6.2715 5.733595 6.14285 5.92177 5.98845 6.137465 5.294515 6.433195 6.025285 6.211765 NA 5.245655 6.170395 5.34773 6.15569 6.19323 NA NA NA 6.17721 5.58264 6.256935 5.43849 6.18142 6.213465 5.913715 6.02246 NA NA NA NA NA NA NA NA 265211 1-Naphthacenecarboxylic 6.78735 7.40947 7.4037 7.76939 7.55097 7.57289 NA 7.70207 7.475495 8.05021 7.06293 7.818855 8.60206 7.29064 7.11815 6.58724 7.296465 7.54386 7.47265 7.76582 7.48087 7.476215 7.06655 8.37056 8.275015 6.84596 7.656845 7.35305 7.03481 8.543555 7.71834 7.314525 7.70552 7.959205 8.00022 NA 6.823225 7.89461 7.52822 8.138955 7.44857 NA NA NA 7.43382 7.345875 8.028265 7.003915 7.06206 8.021485 7.75628 6.19778 NA NA NA NA NA NA NA NA 265450 U 7.179635 7.82391 7.82391 7.64642 7.42809 7.707655 NA 7.81091 7.77518 7.363065 7.42038 7.705435 7.82391 7.37717 7.82391 7.82391 7.82391 7.82391 7.776025 7.58473 7.82391 7.64897 7.65081 7.82391 7.675145 6.31047 7.51162 7.49667 7.62841 7.82391 7.80365 6.81493 7.691 7.68408 7.82391 NA 6.319615 7.44722 7.58593 7.615155 7.719025 NA NA NA 7.51922 7.82391 7.77898 7.305785 7.58742 7.82391 7.41765 5.59784 NA NA NA NA NA NA NA NA 265473 2-Propenamide 5.8454 6.097575 5.82629 5.82385 5.75356 5.80469 NA 5.986075 6.60241 4.30103 5.80295 6.19207 5.79208 5.750735 6.085735 6.03693 5.825175 6.37267 6.14559 4.54549 5.828505 5.41901 5.91985 5.90678 5.80892 5.49875 5.875285 6.0923 6.04673 5.93146 5.66156 5.67185 6.594275 6.032495 5.823475 NA 5.21298 5.96981 5.614745 5.58267 5.56953 NA NA NA 5.666885 5.75216 6.07529 4.30103 5.745445 4.538215 6.27024 4.30103 NA NA NA NA NA NA NA NA 266068 L-Leucine 7.03674 5.75757 5.31648 5.250385 5.33269 5.76102 5.48123 5.868595 5.54365 5.15321 4.75735 4.71157 7.29523 5.313025 5.60559 4.86526 5.45 5.41397 5.40232 5.43023 5.52729 5.61275 5.133975 5.58219 5.06987 5.60784 4.837045 5.69518 5.79726 5.38148 4.84019 5.47578 7.13836 5.88361 7.19562 7.68316 5.66269 5.22125 4.85018 5.5072 5.72313 5.77319 6.477765 5.013015 4.98919 5.013005 5.41389 4.927995 6.92576 5.25082 NA NA 4.96131 5.31046 4.80393 4.73052 4.7734 4.89766 4.79957 5.62866 266491 Psorspermin 7.302725 4 7.52595 6.51487 6.24194 6.45122 6.50357 6.60343 5.89919 5.70256 5.698755 5.758135 5.72344 5.50438 5.76107 5.64535 5.88852 5.98002 6.73288 6.20157 6.1002 7.595595 5.77421 6.78947 6.75416 6.535785 6.26527 6.15284 5.93903 6.84716 6.3448 5.55329 7.593275 7.052465 8 7.13377 6.28664 6.371685 5.57536 6.21302 6.59927 6.412485 6.68865 5.62705 5.95745 5.84359 6.47286 5.72272 7.17267 6.27458 7.549135 6.328825 6.39801 5.79848 6.074285 6.057425 6.3683 6.55393 6.41927 5.69219 266763 2-Propenamide 6.02677 6.36982 6.12689 6.04214 5.86628 6.18223 NA 6.15047 7.06946 5.68488 6.118795 6.69594 6.68863 6.084715 6.569545 6.76408 6.55264 6.82903 6.80927 5.84169 6.282105 5.85291 6.58702 6.14681 6.286375 5.88585 6.71704 6.44017 6.66881 6.380235 5.971105 5.7943 6.899195 6.293415 6.319685 NA 5.81507 6.812405 5.8916 6.02492 6.22427 NA NA NA 5.883965 6.03405 6.53669 5.83946 6.028805 5.96965 6.602475 5.46543 NA NA NA NA NA NA NA NA 267033 Trichothec-9-en-4.beta.-ol 7.17028 6.570245 6.49199 6.83592 6.608715 6.32815 6.61371 6.544025 6.52258 6.41004 6.44174 6.39799 6.746345 5.70377 6.389175 6.47113 6.66112 6.48518 6.440635 6.12735 6.6028 6.53855 6.58798 6.6729 6.44497 6.62615 6.601145 6.339255 6.34732 6.57074 6.557145 6.288255 6.77798 6.503775 6.598 6.56666 6.50405 6.33007 6.232845 6.244295 6.48025 6.36648 6.49521 6.27476 6.64614 6.66587 6.71765 5.86051 6.66085 6.581295 6.49567 6.48175 6.109935 6.48236 6.485865 6.63374 6.52755 6.535885 6.29952 6.58386 267213 Glycoxalic 3.487515 3.18042 3.50386 3.427295 3.248935 3.514515 3.171245 3.55037 3.64663 3.14896 3.02595 3.1404 3.494135 3.263265 3.451045 3.2828 3.31589 3.396815 3.45082 3.35818 3.32382 3.34048 3.19416 3.333065 3.44905 3.24646 3.337405 3.35871 3.43091 3.476025 3.39446 3.112685 3.57182 3.2743 3.626345 3.694685 3.28295 3.33405 3.4162 3.4235 3.48009 3.411245 3.45874 3.09963 3.07383 3.17225 2.968685 2.98148 3.63693 3.61565 3.421675 3.48505 3.414985 3.496705 3.011035 3.337535 3.390155 3.06841 3.55889 3.144335 267229 1-Naphthacenecarboxylic 7.639955 7.15179 6.96602 7.07227 6.85357 6.978135 NA 7.309055 7.39367 7.417595 6.88574 7.3141 7.75696 6.89814 6.59215 7.26382 7.08692 7.40251 7.51821 7.64531 6.82103 7.411655 6.80778 7.75696 7.75696 7.37771 7.12268 6.806365 7.537465 7.75696 7.39013 6.49923 7.66306 7.531555 7.75696 NA 7.28926 7.532445 7.50335 7.646075 7.43652 NA NA NA 7.04257 7.04911 7.37779 6.66395 7.252995 7.41435 7.1305 7.2818 NA NA NA NA NA NA NA NA 267461 Nanaomycin 7.3351 6.76174 6.43321 6.478 7.201095 6.187035 7.02167 6.87636 7.7203 5.707805 6.14709 5.778735 5.737685 5.71184 6.912825 5.782055 5.81125 5.87425 6.48386 5.879685 6.0329 7.070625 6.330115 7.31873 7.5243 7.22731 5.94632 6.940735 6.61464 6.77368 6.621335 5.398285 7.83236 7.657465 7.66384 7.72579 6.262035 6.646855 5.72246 7.020195 7.74021 6.918 6.641125 5.836395 6.84752 5.772695 7.261535 5.767765 7.887315 7.09591 6.84703 6.74674 6.61792 5.94965 6.66103 6.84869 6.8602 6.73972 6.93421 6.72662 267469 Deoxydoxorubicin T2-T2-T2-Db-In 7.89985 7.33091 6.822015 7.39037 6.87176 7.42215 7.12442 7.47155 7.22459 7.98156 6.80166 6.837215 9 7.63139 7.48214 7.454515 7.2712 7.65327 7.30061 7.47685 7.46386 7.38131 6.99341 7.746485 7.67678 6.81018 7.05515 6.91739 7.16088 7.3565 7.33526 7.213125 7.83652 7.57388 8.64769 8.64382 6.72469 7.53571 6.86668 8.03908 6.91438 7.56089 7.80854 6.74148 6.93724 7.44935 6.96184 6.93196 7.934355 7.71594 8.270715 5.56212 7.14851 7.61634 6.633995 6.76007 6.88146 6.96411 6.97389 7.22919 267712 RESIBUFOGENIN 5.44375 5.08647 4.95121 5.545515 4.93534 5.56151 NA 5.496355 5.47986 5.72537 5.28122 5.133615 5.93718 5.39361 6.01495 4.82293 5.11999 5.14169 5.18492 5.28254 5.29766 5.166275 5.296315 5.44006 5.22196 5.23607 5.26494 5.41802 5.21514 5.28009 5.195135 4.49931 5.53218 5.56099 5.58112 NA 5.34365 5.49287 5.37422 5.370625 5.47581 NA NA NA 5.640685 5.12471 5.04913 4.46536 6.02504 5.67992 5.52652 5.15107 NA NA NA NA NA NA NA NA 268242 N-N-Dibenzyl-daunomycin T2-T2-T2-Db-In 5.38113 4.61951 4.30103 4.39983 4.30103 4.56959 4.32186 4.72551 4.690095 5.35465 4.30103 4.68248 6.0147 4.33494 4.30103 4.62847 4.30103 4.870335 4.8841 4.610005 4.417425 4.75286 4.30103 5.6963 5.328645 5.010035 4.71439 4.33242 4.54782 5.16044 4.92082 4.30103 5.18347 5.42854 5.90498 6.02506 4.754265 4.96223 4.30103 5.20853 4.30103 5.60406 5.662085 4.73931 4.32087 4.85979 4.62398 4.30103 4.72243 5.1943 4.84918 4.8828 4.94431 4.77195 4.72874 4.746045 5.38745 4.7624 4.56124 5.00782 268965 Benzaldehyde 5.22734 5.2441 4.70009 5.37204 4.84793 5.7231 5.28331 5.951505 6.733825 5.550985 5.221565 4.813595 7.301045 5.861735 4.800405 5.496595 5.76529 5.22507 5.55532 6.09548 5.58822 5.40459 5.66401 4.480185 4.92424 4.91463 4.94309 5.35805 4.854955 5.182445 4.85267 5.906145 6.131555 4.73623 6.566535 6.608525 5.936305 5.387985 5.765535 6.44015 6.219285 6.21224 6.50027 5.54616 5.148815 5.709995 5.75065 5.485935 5.765215 4.85609 5.28655 5.27452 4.797795 6.143245 4.705195 4.93051 4.99274 5.121435 4.95381 5.42775 269142 BL 6.95265 6.78836 6.55099 6.980925 6.68239 6.71659 NA 6.65236 6.76608 6.57479 6.56577 6.421015 6.85663 6.51955 6.66499 6.74317 6.71074 6.68018 6.55083 6.64358 6.663855 6.66159 6.63997 6.68443 6.60013 6.63531 6.63422 6.67506 6.727205 6.584305 6.59249 6.55431 6.70905 6.80706 6.77819 NA 6.42225 6.46662 6.73962 6.39417 6.61086 NA NA NA 6.62403 6.61481 6.53752 5.63196 6.80662 6.6249 6.750585 5.87307 NA NA NA NA NA NA NA NA 269148 Menogaril T2-T2-T2-Db-In 6.0027 5.96324 5.635175 5.95207 5.26135 6.09718 6.00549 5.989465 5.95572 7.01715 5.1423 5.60673 7.73575 6.763995 5.98964 6.4099 6.208145 6.42039 5.99235 6.53014 5.95054 5.68428 5.64656 6.22147 6.189505 5.76764 5.73741 5.631805 5.29211 5.978985 5.67722 6.300215 6.77571 5.98182 7.92446 7.289825 5.75184 6.2702 5.909985 6.95871 5.78374 6.56701 6.965575 5.12728 4.97766 6.17924 5.66535 5.567745 6.86791 6.29231 7.03168 4.94986 6.24956 6.43232 5.60913 5.251125 5.76073 5.67923 5.71374 6.0452 269754 B2 8.88066 8.657575 8.431315 8.69669 8.73105 8.52901 8.61644 8.37183 9 7.57308 8.20273 7.52637 8.62104 9 8.07291 8.70814 8.17245 8.59707 8.55205 8.38704 8.59028 8.56416 8.475625 8.59221 8.3168 8.045105 8.56128 8.59743 8.360815 8.25476 8.394885 8.42508 8.739295 8.46756 8.80984 8.605735 6.91645 7.92722 8.25427 8.14782 8.411065 8.355275 7.73544 7.91744 8.49807 8.286895 8.47305 7.67568 8.82665 8.497025 NA NA 8.36174 7.7717 7.69769 9 8.57572 8.66285 8.55906 NA 269756 Baccharinol 7.373775 7.56656 7.51086 7.678055 7.5896 7.28248 NA 7.40575 7.75696 6.39451 7.58511 6.37144 7.29444 7.341485 7.39344 7.27699 7.44277 7.34426 7.275375 6.75597 7.4756 7.22611 7.4157 7.29969 7.206195 6.71301 7.16525 7.38439 7.5217 7.226 7.511075 7.1825 7.75696 7.47627 7.75696 NA 6.251315 6.802145 7.10031 7.24182 7.506485 NA NA NA 7.26791 7.48911 7.45126 6.48118 7.75696 7.75696 7.44088 5.59089 NA NA NA NA NA NA NA NA 270693 ANHYDROLYCORINIUM 4.592615 6.06095 5.367245 5.443385 5.317895 5.428355 NA 5.22983 5.62598 5.864065 5.43154 5.266275 5.377435 5.427255 4.58308 5.82432 5.42977 5.90562 6.290805 5.66328 5.55726 5.12729 5.52277 5.486125 5.87524 3.64782 6.10592 5.43543 6.41665 5.81733 5.216485 4.93188 5.47699 5.32258 6.13448 NA 3.64782 5.57271 5.57824 4.922315 5.21253 NA NA NA 5.21332 5.8735 5.514585 5.36089 5.188285 5.45229 5.22923 3.64782 NA NA NA NA NA NA NA NA 271674 Diaminocyclohexyl-Pt-II A7-ALK-A7-C1 5.54434 5.98983 4.718245 5.91555 5.40148 5.59878 5.29955 5.626535 5.61901 5.98385 4.721345 4.923035 6.27314 4.724935 4.87363 4.93812 4.835575 5.24711 5.40664 5.52122 5.433415 6.12514 5.09592 6.19868 6.37858 5.7657 5.16858 5.30818 5.35234 5.65059 5.39189 4.590465 6.017155 5.817345 6.35639 5.94335 5.151225 5.69465 4.90773 6.08628 5.25383 6.23367 6.21113 4.74796 5.049175 5.75522 5.7353 5.35249 6.077395 6.37134 5.78816 5.58403 5.52795 5.16152 4.772325 5.05948 6.01503 5.73918 4.93436 5.59635 272346 1 5.76341 4.52814 4.608295 5.25409 5.68436 5.70721 4.89584 4.75593 5.76722 5.59674 4.71431 4.99628 5.6826 4.688785 4.77003 4.89745 4.89577 5.3794 5.60619 5.18257 5.0128 5.65166 4.95414 5.78805 5.64692 5.5314 5.71398 5.3851 5.69989 5.70515 4.9834 4.63817 5.69149 5.892395 5.70968 5.814335 4.89089 5.39785 4.90564 4.62568 4.8879 5.318875 4.89611 4.75945 4.82823 4.744925 4.9275 4.83325 5.82135 5.726555 NA NA 4.87098 5.51052 5.60841 5.73044 4.93193 5.74991 4.69988 5.45366 274893 THALICARPINE 6.630945 5.73863 5.737175 5.79924 5.75422 4.9174 NA 5.68664 5.694645 4.95652 5.46172 5.696455 5.79956 4.74605 5.63468 4.97542 5.68009 5.73873 5.66847 5.65284 5.7638 6.300745 5.84586 5.73793 5.83979 5.70267 5.51533 5.4665 5.56263 5.32462 5.455875 4.71881 5.62234 5.7775 5.96146 NA 5.59217 5.0739 5.6449 5.686715 5.818385 NA NA NA 5.792465 5.52594 5.82529 5.22027 6.04894 6.91612 5.49132 5.40812 NA NA NA NA NA NA NA NA 275647 5 7.76004 6.97979 6.9155 7.02075 6.94914 7.17182 7.1182 7.34726 7.53035 6.63094 6.56602 6.846135 7.56202 6.958165 6.7025 6.93167 7.49227 6.95245 7.28566 7.50129 7.09486 7.94445 6.85449 7.23177 7.73744 6.863765 7.32246 6.87908 7.083365 8 6.9892 6.59759 7.72559 8 8 7.860005 7.11051 7.65765 6.78763 7.20225 6.9878 7.42809 7.15303 6.37261 6.525395 7.39679 6.70683 6.64416 7.72265 7.14499 NA NA 7.10232 7.00434 6.52806 8 6.72717 7.11539 6.79205 6.97531 275656 1 5.4259 4.770895 4.72187 5.086565 4.76569 5.39985 5.09452 5.56156 4.85258 5.40901 4.52745 4.63041 6.49717 5.25741 4.78494 4.79978 5.1343 5.40075 5.46055 5.70312 5.56084 4.82924 4.77106 4.93372 4.80729 4.83298 4.84688 4.66101 4.72499 4.91947 4.69825 5.27448 5.98949 4.80055 6.18397 6.33652 4.9325 5.2291 4.84286 5.81664 4.91276 5.410605 5.846835 4.6092 4.80501 5.1814 4.7168 4.68393 6.22273 4.74725 NA NA 4.74751 5.88548 NA 4.72153 4.71009 4.87607 4.58293 5.82561 277293 CINNAMODIAL 6.026385 6.12696 5.486125 5.50924 5.93616 5.8984 NA 5.58101 6.30961 5.317265 5.480875 5.279515 5.708695 5.28179 6.054685 5.32807 5.48328 5.3837 5.587575 5.403985 5.54091 5.78451 5.41027 5.926895 6.31084 6.21944 5.619335 6.131875 5.92672 5.93973 5.53125 5.38073 6.552525 6.14877 6.36758 NA 5.519825 5.598115 5.39551 6.042075 6.30839 NA NA NA 5.7126 5.43558 6.064585 5.292645 6.369585 6.28008 5.73946 5.698655 NA NA NA NA NA NA NA NA 279503 ISOBRUCEIN 9.617365 9.22269 8.73366 9.34379 9.27014 9.3136 8.468745 8.865135 9.64 9.179825 8.603875 8.49142 9.46924 8.74496 8.55094 8.93734 8.855315 9.33412 9.04759 9.03615 9.44306 9.3049 9.40646 9.425515 8.94944 8.720555 9.13671 9.46269 8.93889 8.86475 9.47639 8.745135 9.43981 9.331365 10 9.48535 8.358575 8.4667 8.748215 8.40167 9.44916 7.65127 7.714415 7.38188 8.68199 9.11203 8.849785 8.49475 9.697805 9.6458 9.59724 9.08116 9.05979 9.08093 8.4331 9.78479 8.9883 8.8466 9.33377 8.83491 280074 Ethanol 5.301835 4.86465 4.71653 4.95453 4.81593 5.643255 5.316955 5.786645 6.65661 5.545435 5.36039 4.90028 7.114075 6.00402 4.82434 5.0999 5.73099 5.094725 5.627585 6.10736 5.532855 5.410895 5.64457 4.898155 5.055435 5.06225 5.25214 5.515085 4.829035 5.31722 4.90404 5.772295 6.15669 5.39434 6.610035 6.64334 6.11684 5.53506 5.575525 5.86126 6.30518 6.30395 6.36073 5.4927 4.964435 5.697785 5.674795 5.578075 5.877695 5.277995 5.26567 4.99528 5.15054 5.78428 4.770105 4.82018 4.907625 4.95988 4.969225 5.877915 280594 Triciribine 6.052535 4.0144 4.93891 3.31837 3.69512 4.56357 5.486485 4.43642 2.33713 4.43706 5.02259 5.714285 4.23874 4.56355 6.30103 4.26378 4.94707 3.499685 4.15685 3.941985 4.51767 4.82802 3.809735 4.326595 4.06254 4.764095 2.30103 4.692355 5.062265 5.884115 6.30103 6.30103 4.8311 3.692755 6.30103 4.918055 5.123835 5.27382 4.47392 6.136315 4.713375 4.597685 5.322165 6.077945 3.86244 5.0928 4.18818 4.990165 5.77185 3.55206 6.30103 5.32204 6.20854 6.09616 5.420405 5.56475 4.612995 4.74693 5.26505 6.30103 281613 Ethanol 5.24224 4.889615 4.62378 5.07246 4.666305 5.14717 5.07576 5.45305 5.7523 5.80749 5.40181 4.81241 7.2138 5.2659 5.01613 5.24513 5.45621 4.76511 5.12231 5.43381 5.45295 4.93302 5.5331 4.88909 5.20502 5.08961 4.88255 5.1332 4.88574 4.7979 4.88034 5.45126 6.12994 5.268 5.65354 5.83339 5.01936 5.05337 5.96227 6.65058 5.68751 5.63036 6.401 4.9512 4.69097 4.97275 5.80385 4.85245 5.61629 4.950305 5.48658 4.81178 4.84145 5.94563 4.69054 4.733 4.89269 5.4709 4.7167 4.78301 281617 Ethanol 5.34117 4.8319 4.79028 5.08179 4.92385 5.667545 5.33835 6.12271 6.52859 5.81884 5.43482 5.130575 7.73982 5.75678 4.95632 5.09126 5.71313 5.142905 5.41988 5.88445 5.58416 5.265225 5.59306 4.88109 4.932045 4.941575 4.883065 5.427685 4.74879 5.138805 4.982175 6.066705 6.41899 5.185395 5.862795 5.96022 5.55138 5.195155 5.803635 5.80542 5.85646 5.72357 6.47282 5.39846 4.92307 5.38649 5.820985 5.09209 5.92367 5.138855 5.52936 4.99696 5.029775 6.07874 4.76968 5.04802 4.969065 4.91789 5.135725 5.69256 281817 Ethanol 4.94354 4.73479 4.6102 4.78781 4.35322 5.41566 4.94885 5.34041 5.76877 5.47969 5.22425 4.83829 7.19263 5.47974 4.82621 4.86302 5.37811 4.85971 5.17711 5.63352 5.53814 4.90427 5.22463 4.51529 4.60515 4.95083 4.74114 4.95893 4.50157 4.97308 5.379865 5.47465 6.0431 4.83479 5.46879 5.79179 5.09353 4.78187 5.88059 6.24557 5.77384 5.88778 6.26962 5.30562 4.79755 4.94018 5.88894 4.70542 5.67061 4.823635 6.11597 4.94689 4.67091 5.69578 4.772495 4.48169 4.68255 4.746 4.73423 4.84729 281818 Ethanol 4.78107 4.27986 4.59108 4.73543 4.16767 4.996125 4.82681 5.32266 5.73795 5.32272 4.78044 4.89491 6.61932 5.2141 4.612715 4.23684 5.47881 4.76765 5.03984 5.4732 4.83078 4.78127 4.920365 4.49969 4.58054 4.71073 4.7335 4.68596 4.53966 4.592715 4.6199 5.00915 5.79648 4.6368 5.33383 5.45263 4.99926 4.80383 5.10561 5.86978 4.9007 5.54373 5.75905 4.8024 4.62611 4.61849 5.63257 4.3263 5.33552 4.213565 5.0769 4.71368 4.77531 5.47495 4.4756 4.49054 4.65288 4.52714 NA 4.48845 282752 Eunicin 5.184195 4.376555 4.971155 4.92678 4.852605 5.07747 NA 5.042565 5.05259 4.330735 4.4259 4.35873 4.63316 4.21268 4.92024 4.28757 4.8927 4.32417 4.934175 4.387585 4.833255 4.46251 4.608915 4.926645 4.95431 4.70441 4.73235 5.04892 4.77986 5.01691 4.827645 4.170025 5.16899 4.92456 5.08952 NA 4.46389 4.727855 4.82228 4.70543 5.13013 NA NA NA 4.63161 4.87123 4.795205 4.11666 5.17922 5.12203 4.85972 4.837685 NA NA NA NA NA NA NA NA 282880 Octadecylphosphorylcholine 5.639965 5.597455 5.64073 5.694275 4.84329 5.46235 7.071755 4.9902 6.12642 5.31759 5.16819 5.673825 6.024915 6.32893 5.94454 5.70248 5.2425 5.840625 5.38826 5.60122 5.499175 5.773425 6.57515 5.713005 5.699405 5.654115 5.93651 5.66004 6.68204 5.587215 5.798145 4.85115 6.159105 5.638145 6.32214 6.947675 5.49923 6.106055 5.59209 5.97167 5.610625 7.286065 7.31244 7.262085 5.462975 5.80281 7.02922 5.219215 5.79573 6.28068 6.46632 5.423855 7.22336 7.127905 7.350265 NA 7.113535 7.181 5.91398 7.68012 283162 Trimethyltrimethylolmelamine 4.77397 4.66907 4.62238 4.67366 4.59734 4.610295 4.66656 4.62856 4.646445 4.55111 4.5585 4.48992 4.72871 4.6141 4.60035 4.57065 4.63915 4.61186 4.65371 4.57812 4.57288 4.70849 4.60633 4.58131 5.24918 4.72511 4.55967 4.55987 4.5558 4.56433 4.583985 4.6226 4.73587 4.50639 4.60915 4.54715 4.56329 4.50933 4.56859 4.59297 4.71384 4.52867 4.55364 4.50325 4.62858 4.56536 4.69558 4.577535 5.3412 5.400185 4.531965 4.57257 4.60433 4.52513 4.64911 4.57188 4.69653 4.605605 4.69503 4.520165 283440 ERIOFERTIN 4.91028 4.80434 4.37201 4.90201 4.783905 4.558165 NA 4.4336 4.876475 3.787735 4.66148 3.92931 4.42289 3.752995 4.44823 3.97744 3.82726 4.04099 4.42894 3.79523 4.652745 4.139395 4.421325 4.557885 4.790855 4.41222 4.34872 4.52675 3.94065 4.617245 4.566655 3.71987 4.823275 4.69884 4.75445 NA 3.77766 3.865585 3.94693 4.48279 4.75707 NA NA NA 4.331515 4.71092 4.81759 3.845795 4.82951 4.796295 4.65022 3.88149 NA NA NA NA NA NA NA NA 284437 6 5.075615 5.18017 4.821505 4.88769 5.17425 5.68721 NA 4.892555 5.47674 4.68881 4.67031 4.62744 4.843315 4.556545 5.09732 4.48477 4.72313 4.68068 5.013435 4.70918 4.71552 4.58141 4.730635 5.159365 5.585555 5.18155 4.83704 4.8944 4.89314 4.96982 4.63211 4.415535 5.64734 5.021035 5.33192 NA 4.573035 4.79485 4.69373 5.258805 5.74475 NA NA NA 4.979585 5.27523 4.813785 4.47144 5.454195 5.27935 4.74709 5.218035 NA NA NA NA NA NA NA NA 284682 NSC 6.28947 5.876135 5.311545 5.9481 5.30923 5.91641 5.5683 5.97384 5.74782 6.23313 5.21639 5.30995 7.39962 6.58572 5.76195 5.85068 5.82236 6.30438 5.83396 6.26354 5.97197 5.82685 5.68666 6.50538 6.41988 5.8394 5.80701 5.42295 5.40512 5.895775 5.55437 5.48305 6.881215 5.97335 7.54527 7.05207 5.73899 6.22097 5.75233 6.11862 5.8546 5.79486 6.236695 5.23354 5.44393 6.49535 5.72714 5.71135 7.23823 6.27473 7.0593 6.6097 5.30474 5.78952 5.06318 6.0014 5.04823 5.05957 5.47681 5.54968 284751 8-Chloro-cyclic-AMP 5.77069 3.52288 3.52288 3.73215 3.52288 4.76469 5.080955 4.66051 4.701555 4.609265 4.14687 4.31644 4.92468 4.25983 4.74277 3.883075 4.22742 4.211475 4.514535 4.28956 4.1876 4.92745 4.38591 5.44507 4.93873 5.266605 4.082265 4.105725 4.16163 5.10861 4.687435 4.794835 5.04736 5.32817 5.09383 5.328325 4.82663 4.79287 3.970145 5.43048 5.28341 5.05818 5.25794 4.64207 4.22067 4.97559 4.82878 4.40664 5.61126 5.04593 4.94384 5.06867 4.957895 4.88507 4.728325 4.610005 5.26744 4.95336 5.245195 4.81766 285116 SIOMYCIN 6.269445 6.62073 5.6076 5.94057 5.53557 5.417495 5.5697 5.822165 6.69835 5.27015 5.36788 4.42582 5.37872 4.75653 5.33117 4.467325 4.52049 5.46512 5.47349 4.58536 6.469415 5.77492 4.79162 6.50585 5.72395 5.28882 5.592685 5.10791 4 6.09494 5.15761 4.73255 6.387405 5.8587 6.36551 6.32911 4.14643 5.31511 5.643975 5.36775 5.96696 5.60811 5.49323 5.37896 5.53564 5.65407 6.372775 5.47036 5.64988 5.92937 5.25988 4 5.161655 4.755685 5.56742 5.275 5.53622 5.4294 5.62634 5.48167 285223 Neothramycin 6.32507 6.215565 6.332 6.273465 6.104355 5.997865 NA 6.21321 6.88086 5.11457 5.710925 5.31995 5.43177 6.03921 6.14086 5.86604 5.99998 6.20342 6.130025 6.00452 6.131725 5.766145 6.04284 5.8571 6.189145 6.130725 5.89993 6.245475 5.32182 6.03557 5.897055 5.348485 6.41589 6.10015 6.243765 NA 6.277525 5.95371 6.265645 6.16088 6.55652 NA NA NA 5.911175 6.28656 6.175815 5.557675 6.16032 6.188845 6.02749 6.1032 NA NA NA NA NA NA NA NA 285706 5 5.64852 5.445955 5.17774 5.18811 5.347885 5.81927 NA 5.39232 5.93017 4.92129 5.19485 5.08993 5.396255 4.80303 5.641965 4.78816 5.14108 4.912485 5.176675 4.992405 5.163375 5.389565 5.141625 5.61063 5.938615 5.7602 5.18503 5.441615 5.2487 5.67175 5.16516 4.76538 6.0078 5.74307 5.731795 NA 5.080385 5.1841 5.172965 5.582535 5.81894 NA NA NA 5.24181 5.57441 5.747535 4.948335 5.97671 5.831635 5.2642 5.71674 NA NA NA NA NA NA NA NA 286193 Tiazofurin 3.628385 2.76073 2.369395 4.10991 4.84677 4.197875 5.163075 4.29093 4.299165 3.92171 3.38124 4.21535 3.62861 4.31355 3.95733 4.32903 4.412925 5.05607 4.29481 4.820665 4.72262 4.3829 3.320545 4.60481 4.84922 5.39472 4.31685 4.651475 4.931105 4.55717 4.38665 4.67124 5.10859 5.46241 5.213285 3.989 4.307205 3.34383 2.995415 4.52 3.97901 4.63941 4.309325 3.47857 2.288125 3.38265 5.11679 3.36087 5.043685 3.997285 4.53834 4.241455 5.28179 3.78935 3.6578 4.36107 4.36004 4.50402 3.02796 2.54846 286628 5 6.35254 5.4766 4.76041 5.76564 5.80946 5.784275 5.80932 5.91891 5.82926 6.11871 5.54393 5.65531 6.73185 5.84097 5.5494 5.81614 5.43571 5.9289 5.86393 5.86153 5.88726 5.90682 5.873395 6.24 6.28791 5.86693 5.85493 5.74984 5.614575 5.9508 5.02359 5.39191 6.69485 6.12641 7.20905 6.88962 5.71094 5.93176 5.17857 5.784575 5.59141 5.966595 6.023885 4.8721 5.53443 5.84144 5.82394 5.72494 6.77275 5.93933 NA NA 5.89949 5.78777 5.71605 6.20787 5.84637 5.80008 5.4253 5.63414 288010 1H-Benz[g]indazole-3-carboxamid 5.74788 5.7963 5.77416 5.759015 5.71102 4.89271 5.61282 5.54078 5.56343 5.07706 4.90567 4.97163 5.36399 4.78524 5.3442 4.98126 5.43793 5.32559 5.28406 5.72374 5.37638 5.6974 5.630335 5.41099 5.68862 5.64767 5.29411 5.07368 5.09501 4.94028 4.90592 4.86262 5.30328 5.51103 5.29618 5.35082 5.66486 4.99343 5.09225 5.075365 5.5571 5.45447 4.942865 4.92605 5.75311 4.8946 5.639 5.47674 5.58097 5.54253 NA NA 4.899 4.81432 4.91694 5.48687 5.00119 5.45475 4.75903 5.36679 290494 Picras-3-ene-2 8.452465 7.64791 7.49671 8.38963 8.1211 7.66566 8.63843 7.70855 8.32921 6.522445 7.23577 6.60142 7.75512 7.51433 7.82863 8.498235 7.569225 8.7002 8.116265 7.44111 7.71397 7.567235 7.61698 7.998315 7.958305 7.21448 7.5961 7.91877 7.65898 7.45918 7.90384 6.501155 7.76259 8.15964 8.797085 9.1113 6.627935 7.121845 6.96371 6.494645 7.903255 NA NA 7.66471 7.66548 7.696235 6.777105 7.99824 8.52018 8.06354 8.25019 6.62789 8.53919 8.45129 7.77566 8.64697 8.52327 8.68124 8.54204 8.53951 291308 2-Cyclopenten-1-one 4.782565 4.5091 4.42607 4.508955 4.513005 4.60767 NA 4.59254 5.37146 4.53267 4.347225 4.49127 4.69082 4.322265 4.517835 4.41488 4.61149 4.40357 4.560455 4.6047 4.64158 4.50571 4.524475 4.58643 4.558735 4.548935 4.72333 4.637 4.4867 4.617175 4.44874 4.43606 4.612325 4.504355 4.526665 NA 4.51224 4.629055 4.61651 4.75933 4.72123 NA NA NA 4.55941 4.52362 4.68004 4.406515 4.67836 4.625255 4.50357 4.571825 NA NA NA NA NA NA NA NA 291643 Pyrimidineacetaldehyde 4.07187 4.0797 4.01167 4.07436 4.03797 4.20056 3.869425 4.13997 4.14845 3.798035 4.014045 4.01191 3.97659 3.98931 4.157325 3.871225 3.87103 3.813905 4.06732 3.83205 3.96104 4.01209 4.04427 4.07729 4.194995 4.22814 4.065815 4.22175 4.10232 4.09421 4.127695 3.98427 4.47494 4.22068 4.40103 4.448025 4.0665 4.06688 3.976545 4.0944 4.30103 3.883625 4.120065 3.993275 4.04909 3.99997 4.07276 3.93975 4.73287 4.418635 4.50084 4.0612 4.05589 3.99715 4.12255 4.01543 4.305915 4.13146 4.06824 4.103735 292206 RUSTAIYAN 5.53393 5.37389 4.88873 4.76954 4.91034 4.80852 5.43522 4.91667 5.69023 4.729 4.8621 4.7718 4.74166 4.65474 5.538075 4.72879 4.83276 4.75754 4.68297 4.73073 4.94478 4.92627 4.72397 5.30005 5.6529 4.94576 4.81794 4.89972 4.86188 5.08289 4.72704 4.72564 5.78999 5.58668 5.67495 5.53704 4.84365 4.85496 4.807 5.49901 5.49592 5.13976 5.37713 5.16771 4.9374 4.652565 5.535655 4.69815 5.60616 5.56308 5.41887 NA 4.83212 4.62576 4.7433 4.64483 4.81923 NA 4.92857 5.33085 292463 Spiro(3 9 8.35754 7.8981 9 8.513305 7.86288 8.70197 7.61467 8.823225 8.408045 6.63725 6.82598 8.81453 8.48677 8.5408 8.7047 8.66836 8.74218 7.71546 8.20825 9 8.21095 8.92897 9 8.375 8.72508 8.31961 8.51432 7.78648 8.31984 8.490915 8.75785 9 8.74023 8.62172 8.12766 7.80759 7.56175 8.67649 7.921005 8.05696 8.53182 8.46193 8.327475 7.95086 8.59653 8.308055 7.476605 8.94816 8.95887 9 7.397175 8.38276 7.64851 7.41478 7.74444 8.04287 8.233895 8.248535 8.73717 292567 Nigericin 5.98884 7.2533 6.6843 6.675 6.1994 6.61541 5.987365 5.92712 7.83671 7.12772 6.129615 5.83011 6.994055 6.70175 6.431375 6.372955 7.16841 7.128235 5.78491 5.97506 6.814975 6.87471 6.925875 6.56873 6.065075 6.12102 6.43519 7.38243 5.647035 6.39055 5.465915 5.354935 7.429755 7.33278 6.54783 7.68744 5.73561 6.518875 6.70153 6.09114 8 6.34609 6.472775 5.499915 7.0595 6.55854 7.18881 5.554815 7.787975 6.907105 6.86624 NA 6.508275 6.271765 5.88432 8 5.89435 6.12112 7.2375 6.87564 292684 Urea 4.87235 4.44938 4.353275 4.32062 4 4.53062 4.48987 4.7445 4.80492 4.51325 4 4 5.2409 4.33872 4.582405 4.37215 4.80272 4.63608 4.4702 4.65569 4.64491 4.58135 4.54858 4.49471 4.71526 4.68621 4.25227 4.36579 4.15523 4.75666 4.13392 4.26053 5.37328 4.56821 5.42529 5.21913 4.61211 4.51078 4.49132 4.60873 4.76067 4.51626 5.15415 4 4.19518 4.61999 4.43318 4.33681 5.35191 4.59509 5.04746 NA 4.45426 4.16537 4.28852 5.01116 4.3106 4.40715 4.74797 4.4644 292685 5 6.157405 5.71371 5.85427 5.766835 5.751605 5.726695 5.77308 5.73362 5.69423 5.80123 5.75273 5.763705 6.208995 5.781295 5.83205 5.7299 5.777825 5.82386 5.724685 5.71588 5.75864 5.877915 5.87885 6.10558 6.04785 5.803525 5.81546 5.75055 5.802515 5.820125 5.759565 5.800595 6.404675 6.450355 6.65923 6.389285 5.755385 5.76817 5.809175 5.780175 5.88109 5.73481 5.762105 5.35322 5.77839 5.764625 5.786235 5.743195 6.32278 6.082605 5.88785 5.72551 5.83299 5.74568 5.86541 5.77806 5.7526 5.82321 5.77021 5.72994 293015 Flavoneacetic 3.68802 3.82928 3.20412 3.55035 3.71868 3.51554 NA 3.6241 3.84699 3.315885 3.91517 3.20412 3.72257 3.6464 3.93832 3.484615 3.94824 3.54609 3.497625 4.21675 3.733795 3.68193 3.43153 3.48593 3.46193 3.51209 3.60382 3.720025 4.3521 3.65946 3.83384 3.826525 3.91736 3.57567 3.62029 NA 3.88841 3.59202 3.926145 4.00666 4.05382 NA NA NA 3.639465 3.67386 3.32368 3.40466 3.606585 3.85028 3.73441 3.42213 NA NA NA NA NA NA NA NA 294734 Terreic 4.9021 5.260845 4.799715 4.790305 5.18414 4.896085 NA 5.07782 5.715575 4.54185 4.880055 4.597325 4.69865 4.43167 5.258645 4.51058 4.76845 4.73261 4.848945 4.570675 4.701315 4.80833 4.869575 5.08906 5.52337 5.105685 4.847805 5.14351 4.84142 5.339095 4.75762 4.514845 5.754145 5.36555 5.549445 NA 4.63808 4.73831 4.66814 5.23712 5.581155 NA NA NA 4.93405 4.58759 5.315245 4.784185 5.58481 5.46548 4.915515 4.89561 NA NA NA NA NA NA NA NA 295499 Morpholine 5.93444 4.81572 4.55393 5.40145 4.76101 5.74202 5.4912 6.27371 5.488 4.95552 4.21728 4.73047 5.940075 6.040675 4.98867 6.04094 5.69871 6.16683 6.30129 5.441525 6.1018 4.7429 4.70963 5.15325 4.91443 4.512625 4.82277 4.7764 4.40846 5.48077 4.44128 4.9571 6.78363 5.37075 6.47163 6.6734 5.1781 5.88959 4.93141 5.41522 5.16436 5.69521 5.49184 4.00445 4.77532 5.47033 4.616865 5.21298 5.618265 5.276255 5.8816 4.82056 4.59899 5.61665 4.20904 4.36027 4.77119 4.7329 5.25027 5.3661 296934 Teroxirone A7-ALK-A7-C2 4.85672 4.48022 4.403095 4.57458 4.471465 5.094125 4.93876 5.86844 5.23765 5.20218 4.38643 4.52135 5.93845 4.804005 4.50809 4.6772 4.90786 5.294365 4.84648 5.33578 5.288685 4.76828 4.72267 4.91166 4.54945 4.86223 4.505825 4.858435 4.46621 4.59857 4.53667 4.6774 5.66241 4.59857 6.02224 5.90245 4.52013 5.37836 4.8516 5.292625 4.72794 5.12498 5.98724 4.39056 4.734265 4.5588 4.78155 4.366385 6.105785 4.846145 5.29699 4.76964 4.61967 5.05328 4.34599 4.425915 4.747765 4.5216 4.70398 4.720715 298276 Ethanediamide 4.81926 4.729215 4.67992 4.798875 4.574215 5.026045 4.84891 4.99763 4.84434 4.92944 4.40634 4.49505 6.02224 4.91015 4.72379 4.01821 4.67114 4.85757 4.91643 4.77255 4.83996 4.91109 4.87395 4.91737 4.86644 4.793815 4.79399 4.82689 4.61133 4.87196 4.68466 4.640835 5.74268 4.902465 5.79927 5.90139 4.63098 4.94634 4.47768 5.28777 5.26977 5.396065 5.3753 4.327575 4.648445 4.53848 4.83525 4.48548 6.144615 4.60065 5.030615 5.59279 4.825915 5.11813 4.19828 4.041095 4.41051 4.587795 4.52396 4.652625 300288 1H-Benz[de]isoquinoline-1 6.716255 6.31567 5.863015 6.64322 5.97645 6.58383 6.36783 6.48049 6.61704 7.22814 6.4465 5.923315 7.2346 6.60571 6.59388 6.56924 6.63148 6.6093 6.55385 6.679035 6.67691 6.50408 5.98553 6.50774 6.85964 6.48544 6.47685 5.95145 5.86556 6.57566 6.25829 6.77334 6.788 6.49928 7.35644 6.890515 6.58184 6.6537 6.77601 6.81981 6.47335 6.69837 7.32844 5.52939 6.115315 6.89664 6.76389 6.15969 7.169905 6.35613 6.78226 NA 6.03137 6.54437 5.88385 5.9806 5.7569 5.82572 6.04439 6.22138 301457 Cycloalkannin 6.30632 6.71634 6.16617 6.30326 6.243595 6.25133 6.67025 6.4635 6.9326 5.5317 5.86332 5.63967 5.88378 5.65974 6.580135 5.77611 5.92201 5.76759 5.87353 5.48942 6.35288 5.85149 5.83119 6.61452 6.76761 6.53486 5.75307 6.11839 6.69705 6.45 5.80935 5.43709 7.02581 6.64905 6.82899 6.80862 6.63858 6.68047 5.77845 6.47568 6.59489 6.70734 6.63746 6.38748 6.60898 6.214235 6.78432 5.72865 6.88359 6.52304 6.76218 NA 5.76739 5.67884 5.61202 5.57777 5.83708 6.04362 6.44567 6.32802 301477 5 7.66955 7.34893 6.79372 7.38769 6.54075 7.33314 6.95644 7.28232 7.26573 7.70226 6.41265 6.44073 8 7.86275 7.21333 7.27312 7.59698 7.648865 7.38805 7.686695 7.6419 7.06607 6.81511 7.34245 7.75428 5.70446 6.91827 6.39762 6.50903 7.39464 6.86239 7.11512 8 7.6488 8 7.80401 6.2543 7.51195 6.95101 7.379 6.73043 7.47739 7.68723 6.22403 6.548865 7.25667 6.679515 6.71802 8 7.90247 8 NA 6.81563 6.57778 6.32421 6.86021 6.57276 6.45327 6.56792 6.63943 301739 Mitoxantrone T2-T2-T2-Db-In 7.56475 6.91978 6.38716 7.30392 6.348535 6.98249 6.957645 7.480275 7.3327 7.96278 6.85691 6.56788 8.60206 7.7516 7.51577 7.609245 7.90948 7.98727 7.4243 7.66295 8.03055 6.700765 6.63497 7.29866 7.16512 6.509 6.37426 6.337805 6.315675 7.38203 6.63765 7.17806 8.14177 7.00007 8.60206 8.11662 6.57193 8.29657 7.259845 8.11674 7.141755 7.69552 7.97673 6.37817 5.683625 7.57021 6.632345 6.54779 7.77384 6.57926 8.60206 5.41161 6.954635 7.466075 6.64297 7.22234 6.326905 6.50333 7.14945 7.254 302035 Melampodin 5.48159 5.66064 5.190025 4.88765 5.69409 5.071755 5.63783 5.3705 6.48073 4.6679 4.85889 4.75677 4.73119 4.72091 5.45714 4.744565 4.8 4.77224 4.65204 4.74451 5.1503 5.41287 4.86263 5.61923 5.75313 5.57687 4.845365 5.5678 4.68088 5.6187 4.62419 4.83636 5.90852 5.59485 5.78269 5.67703 4.72605 4.87655 4.82896 5.56582 5.8136 5.34582 5.50992 5.43111 5.670335 4.62947 5.78583 4.71724 5.651025 5.45235 5.43278 NA 4.78485 4.44222 4.71841 4.61597 4.9752 NA 5.26949 4.77187 302325 Pyrimidine 7.554295 4.73561 4.83465 6.5703 4.43544 7.242575 7.0717 7.302345 6.142755 7.93822 5.568695 6.427475 8 6.32764 5.27145 4.73335 5.141045 6.455 6.60606 6.95977 6.452495 7.252785 5.42588 7.853 7.47617 7.27545 6.30272 4.89715 4.65806 7.13691 7.16496 4.669475 7.335165 8 6.7573 7.515905 5.7798 5.878255 5.32461 6.51787 4.80057 7.38078 7.199675 4.714985 4.97196 4.752435 5.17941 5.235775 7.22427 6.18113 6.302965 6.45997 7.65069 6.14362 4.641575 4.4998 7.26573 7.337225 4.526295 4.9273 303812 Aphidicolin-glycinate DP-anti-DNA-Ds-Dp 5.60448 4.22609 4.173975 4.922785 4.205645 5.392185 5.3408 6.082095 4.20099 5.756325 4.25742 4.16175 6.59204 5.512915 4.745855 4.2853 4.504225 5.672265 4.96995 6.39848 5.89215 5.11236 4.20774 5.74237 4.29038 4.274935 4.241925 4.15334 4.07502 5.61733 4.29384 4.205275 6.11453 4.72732 5.79659 5.779865 5.37017 5.06871 5.15817 6.14609 5.103735 5.7903 6.78618 4.13271 4.226135 4.93409 4.25164 4.6692 6.64649 5.53829 5.438285 5.34158 5.47976 5.8151 4.194795 4.140595 4.45874 4.24606 4.202405 4.350955 303861 L-Cysteine 4.37685 3.906925 4.30467 3.81892 3.87846 4.053335 4.14008 4.15224 4.10634 3.47255 3.58928 3.52781 4.14864 3.46795 3.95882 3.48783 3.75446 3.97434 4.05594 3.64858 4.14759 4.096545 3.587025 4.04374 4.194795 4.20501 3.87789 4.11049 3.55873 4.005435 3.81809 3.456745 4.441255 4.36779 4.33706 4.3457 3.571 4.280935 3.56426 4.10077 4.16524 4.18456 3.718335 3.58092 3.6542 3.54307 4.17269 3.413565 4.412515 4.31594 4.057745 4.11411 3.92176 3.548985 4.142075 3.63501 4.34677 4.40687 4.18644 3.88424 305222 Cytochalasin 7.20828 4.56274 4.55366 5.39061 4.799285 4.80376 4.0036 4.63733 5.275595 6.491635 6.51506 4.17899 6.48534 7.18115 6.72611 6.96949 8 7.078675 6.63338 6.57962 6.87481 6.69449 4.37299 4.800445 4.00101 5.57762 4 5.30381 6.196325 4.05125 5.87685 6.42815 6.20214 4.627265 4.92315 4.56031 7.01429 4.36411 6.89685 7.519675 7.31338 6.19943 6.30827 4.22056 4.69315 6.26636 6.984185 4 5.41384 4.94169 4.978355 4 NA 4 6.65362 7.88842 4.48323 4 5.57385 4 305458 2-Propenamide 5.84917 6.03553 6.00183 5.89539 5.778595 5.427215 NA 5.95366 6.439545 4.30103 5.6307 6.020445 5.808165 5.70071 5.7071 5.995005 5.870895 6.26652 6.291865 4.62555 5.82556 5.37765 6.00256 5.881775 5.824365 5.15972 5.67312 6.0729 6.71682 5.93866 5.651675 5.65923 6.61929 5.98305 6.014975 NA 4.94202 5.86866 5.65457 5.58708 5.865635 NA NA NA 5.61136 5.80179 5.91849 4.30103 5.833075 4.30103 5.89181 4.30103 NA NA NA NA NA NA NA NA 305884 Acodazole 5.25524 5.08818 4.8942 5.04048 4.86529 4.991745 4.93422 4.976305 5.0901 5.10605 4.78002 5.05423 5.52203 5.207705 5.40699 4.97274 4.93319 5.07081 5.0374 4.84879 5.0956 4.92074 4.98518 5.309495 5.28627 4.622885 5.073465 4.91526 4.909575 5.16604 4.85975 4.93321 5.4209 4.99275 5.678615 5.483395 4.79519 5.06251 4.992305 5.29888 4.9946 5.3889 5.391115 4.887415 4.89156 5.05422 5.34853 4.90464 5.08555 4.97774 5.424065 3.8108 5.24425 5.29435 4.84988 5.03855 5.06961 5.00936 4.96593 5.151675 306951 Avarol 5.376065 4.79432 4.84955 4.983135 4.891045 5.15744 4.843425 4.87715 5.56465 5.17905 5.084865 4.907615 5.143435 4.811555 5.18249 4.913965 4.92661 5.52676 5.10754 4.95536 4.919845 4.84804 4.8081 4.99149 4.917835 5.05388 5.24643 4.979755 5.03545 5.235345 5.373435 4.80812 5.59615 5.268325 5.461095 5.17553 5.20292 4.90873 4.771745 4.83927 5.119075 5.2025 4.924505 4.88072 4.882775 5.05418 4.762375 4.852515 5.73625 5.511705 5.093365 5.24661 5.24865 4.83508 4.85596 5.14754 5.114745 4.898355 5.265025 5.24105 308606 19-Norlanosta-5 7.52288 7.50062 7.58666 7.45522 7.55982 6.29404 7.39529 7.23993 7.47118 7.28971 6.62516 5.86896 7.3257 6.7384 7.25066 6.94157 5.69634 7.37819 7.48262 6.64667 7.53176 7.34636 6.91471 7.29543 7.31501 7.32352 6.37075 7.36801 7.0599 6.3652 6.62294 7.16293 7.46953 7.05469 6.19616 6.92906 6.77176 6.76396 7.65508 7.63315 7.46319 7.49787 6.78542 6.79998 7.33237 7.0712 7.24929 6.16917 6.96617 7.47722 NA NA NA NA NA NA NA NA NA NA 308847 Amonafide T2-T2-T2-Db-In 5.53792 5.495635 5.35161 5.46522 5.16955 5.411025 5.42921 5.46724 5.404215 5.77406 5.192275 5.31782 6.01365 5.56442 5.44946 5.35181 5.25778 5.38993 5.212025 5.466995 5.34536 5.44817 5.44166 5.73826 5.76056 5.49188 5.315085 5.29804 5.31693 5.56979 5.39297 5.30132 5.53108 5.5346 6.09872 5.84838 5.35682 5.45821 5.44609 5.82335 5.39077 5.62578 6.110815 5.383905 5.328075 5.56503 5.6807 5.24817 5.576225 5.34805 5.81394 5.47144 5.66769 5.512845 5.28177 5.307985 5.47237 5.6183 5.369 5.25247 311152 6H-Pyrido[4 4.95284 5.24499 4.77342 5.72981 4.99377 5.41633 4.7974 5.06276 5.7342 5.89335 4.85632 5.37157 6.32415 5.559965 5.34917 5.866495 5.98928 5.99076 5.75919 5.60901 5.39534 5.05976 5.14587 5.21898 5.2684 4.72674 5.30432 4.825655 5.43766 5.41456 5.19754 4.82754 5.82848 5.37929 7.34392 NA 4.61883 6.359805 4.581885 4.919305 4.89855 5.24099 5.21721 4.6169 4.6938 5.97245 5.60299 4.868105 5.576515 5.02313 5.80569 4.65262 NA NA NA NA NA NA NA NA 311153 9-Hydroxy-2-(2-piperidinylethyl 5.35638 5.66736 4.93157 5.72503 5.145025 5.22371 NA 5.261015 5.708535 5.794305 5.58708 5.566715 6.315405 5.74033 5.01969 5.8694 6.226535 6.13769 5.813705 5.68168 5.40289 5.099355 5.50354 5.56099 5.48524 4.87996 5.64422 5.188275 5.94691 5.649975 5.58096 5.34224 5.900805 5.55163 7.140535 NA 4.83421 6.37678 4.992595 5.2326 5.283515 NA NA NA 4.800185 5.96943 5.788765 4.872265 5.73687 5.66489 5.68055 4.79547 NA NA NA NA NA NA NA NA 312033 Straital 6.557825 6.75296 6.64108 6.78063 6.67992 6.64166 6.69339 6.28823 7.095165 6.39628 6.41657 6.01139 6.59976 6.29662 6.67061 6.160325 7.132845 6.75705 6.620305 5.95442 6.70316 6.96895 6.2367 7.2016 7.36023 6.7253 6.36748 6.85981 6.61821 6.73614 6.71838 5.42674 7.567165 7.0611 7.043405 6.834685 6.618425 6.95927 6.49721 6.85111 6.976435 6.92963 6.94782 6.641445 6.65502 6.45772 7.08343 6.65543 7.756395 7.4861 6.664445 6.72262 6.99297 6.25083 6.76608 6.655105 6.75862 6.82186 6.92183 7.051315 312887 Fludarabine 4.28893 4.45273 4.41318 4.20983 3.979715 4.72159 4.981855 4.232055 4.06557 4.34995 4.04226 3.56088 4.014625 5.194175 5.05956 4.58816 3.68807 3.62962 4.055305 3.40495 3.69363 3.485905 3.68788 4.49934 4.19103 3.7426 3.48287 3.91942 3.622815 5.563745 3.51872 4.530845 5.70543 3.8949 5.3057 4.661845 4.91188 5.21726 3.81858 5.25711 4.21724 4.41305 4.46421 3.9782 3.855915 3.89179 4.02524 4.1576 5.248095 3.845275 4.11918 5.33661 4.776535 5.04814 4.103735 4.08238 4.92579 4.262 4.28539 4.208125 315260 Formamide 7.63006 7.75177 7.88757 8 8 7.78863 8 7.78369 7.84935 7.553705 4.071875 7.82525 7.746465 7.99331 8 7.69414 8 8 7.665155 7.84966 7.840285 7.834055 7.795285 7.775295 7.941565 7.11029 8 8 5.52586 7.68261 7.634695 4 7.79695 7.89561 7.68087 8 6.124015 7.41201 7.7403 7.44741 7.793225 7.483695 7.07476 5.67758 5.7452 7.581365 7.924485 4 7.72193 7.45901 NA NA NA NA NA NA NA NA NA NA 317003 9H-Thioxanthen-9-one 5.921 4.99139 4.68937 5.49438 4.99633 5.48812 4.99396 5.4542 5.23227 6.69287 4.9808 5.03976 7.4764 6.02741 5.624215 5.37772 5.788 5.48117 5.38536 5.27755 5.40501 5.55709 5.44977 5.65576 5.925865 5.4556 5.07945 5.07993 4.8858 5.613165 5.15849 5.51101 6.50974 5.68801 7.51014 6.70566 5.34126 5.68666 5.167555 5.88327 5.9133 5.59911 5.94 4.7405 4.92449 5.39974 4.9614 4.84231 6.26364 5.77145 6.75281 NA 5.91393 5.66085 5.72693 6.0297 5.81475 5.6897 5.26809 5.10199 318800 Uridine 5.09116 5.26775 4.77662 4.20614 4.83207 4.02778 4.09948 4.70257 4.799855 4.88792 4 4.41978 5.38837 4.41513 4.61061 4.42436 4.56774 4.87352 5.042865 4.2597 4.99646 4.60599 5.42668 5.38287 5.02773 4.798415 5.06193 4.64259 4.500925 4.577825 4.21625 4 5.235625 5.13859 5.371935 5.307355 4.85185 4.20192 4.048405 4.70322 4.32596 4.8591 4.88134 4 4.3656 4.113945 4.922545 4.40606 4.416445 5.05772 5.59799 4.14576 4.066145 4.08083 4 4 4.66838 5.08067 4.1641 4.705295 319947 2 5.47477 5.200955 4.79556 5.40924 4.78837 5.38509 5.46234 5.58534 5.15103 5.7891 5.45232 5.10984 6.05988 4.99644 4.96981 4.84808 4.69473 5.2524 5.16973 5.52364 5.34271 5.50092 4.95885 5.97538 5.61927 5.49871 5.09989 4.92358 4.65763 5.36651 5.35937 4.62272 5.5043 6.42676 5.18004 5.49295 4.84047 4.96954 4.90165 5.13187 4.89649 5.31166 5.3322 4.62853 4.80363 4.57653 4.93678 4.65336 5.555175 5.00824 5.109595 5.24885 5.82948 4.97958 4.806395 4.59235 5.181095 5.29713 4.813515 4.66887 320846 Batracylin 4.46238 4.30078 3.91953 4.46154 3.90309 4.1446 3.978525 4.2642 4.38588 4.36661 4.27149 4.24168 4.79595 4.438915 4.3402 4.42594 4.52367 4.5818 4.46393 4.56097 4.89616 4.19867 3.984015 4.60653 4.54512 4.36225 4.38435 4.00502 3.90309 4.61351 4.48125 4.42136 4.659815 4.13022 5.52533 4.729205 4.63966 4.45235 4.58939 4.23302 4.59383 4.58442 4.79995 4.46792 3.90309 4.21801 4.55375 3.90309 5.37897 4.24897 4.56378 4.26678 4.059345 4.556225 4.61386 4.713695 4.5354 4.23267 4.02975 4.37356 320877 GELDANAMYCIN 7.012095 7.41637 6.696095 6.32591 7.20995 7.23485 7.0183 7.32274 7.70155 6.18768 6.30415 6.074495 7.0772 6.45544 6.66223 6.00942 6.25966 7.12334 6.5033 6.35187 6.8 8 6.94578 7.27864 8 6.33037 6.802455 7.27778 5.77789 7.02941 6.25968 6.91397 6.81197 7.63503 7.343185 7.43453 5.99873 7.39039 6.05019 6.26418 7.76166 6.43711 6.54428 5.89859 7.53041 6.01129 8 6.39759 7.48597 7.06551 7.47693 4.97393 6.6922 6.14728 5.697795 5.31054 7.278985 6.479185 5.9044 5.62688 322355 322355 5.73848 5.799185 5.667195 5.78367 5.6543 5.78422 5.73122 5.66596 5.88927 4.89853 5.59869 5.41138 5.36359 4.74561 5.63956 4.769485 5.27696 5.15285 5.49089 4.77898 5.09171 5.79812 4.88784 6.02634 5.88379 5.81665 4.92333 5.81438 5.78266 5.73131 5.77018 4.76127 5.85351 5.71198 5.44288 5.522485 5.0726 5.6798 4.82808 5.5386 5.68682 5.56528 5.55492 5.28364 5.84558 4.66281 6.39606 4.89642 6.1709 5.60022 5.82206 5.55665 5.62485 5.50178 5.64211 5.5423 5.73234 5.86176 5.746245 5.89117 322921 Pibenzimol 4.2091 5.48522 3.783605 4.631935 4.67672 3.588925 3.758 4.56397 5.14147 3.49367 3.65406 4.0124 3.57807 3.52639 4.563015 3.464205 3.493885 3.72782 4.14113 3.49057 4.35498 3.799835 3.706935 4.83819 4.197665 3.59799 3.54808 4.657035 3.58655 4.013155 3.96015 3.30673 4.9122 4.4381 4.41057 4.55208 3.43123 4.00234 3.55504 3.71594 3.85995 3.74716 3.620525 3.169755 4.36563 3.42508 5.03148 3.314465 4.83089 3.76451 5.63101 3.48249 3.13172 3.67 3.40278 NA 5.08154 4.640555 3.16353 5.00291 324368 ALP 4.811145 4.77616 4.36568 4.359655 4.37847 4.37118 4.483225 4.76237 5.052115 4.70139 4.32153 4.233135 5.17834 4.54634 4.81802 4.672955 5.20438 4.740765 4.63058 5.29069 4 5.182355 5.61065 4.711115 4.66205 5.474455 5.352115 4.448225 4.57468 4.66925 5.10914 4.756525 5.14898 4.30989 4.67281 5.104085 4.57816 4.92433 4.67204 4.74059 4.67238 4.65164 4.138045 4.72189 4.428585 4.5132 5.57727 4.77717 5.54321 4.55259 4.04988 4.33346 5.14296 4 4.22441 4 4.006825 4.158735 4.3122 4 325014 Bactobolin 7.07753 6.51638 6.65431 6.97253 6.78589 6.883455 7.001635 6.589655 6.84993 6.75477 6.62626 6.73633 7.02723 6.920395 6.83094 6.8346 6.81173 6.980485 6.86182 6.8289 6.598665 6.777345 6.859125 6.90769 6.92852 6.29209 6.877595 6.42693 6.95115 6.81561 6.41601 6.62762 7.116585 6.596625 7.09455 7.11022 6.07639 6.87501 6.4358 6.94024 6.89724 7.05087 6.86395 6.478695 6.58194 6.7605 7.01456 6.120165 6.849205 6.86496 6.897345 5.444205 6.51715 6.713595 6.89794 6.86962 6.605005 7.03804 6.75252 6.695735 325319 Didemnin 11.69167 12.90858 11.4965 12.89128 12.604885 11.907715 NA 13 10.69068 10.93495 12.02944 9.51027 12.469585 9.86222 9 12.49554 12.46776 12.671035 10.94079 11.012655 12.614335 12.52442 10.41223 13 11.4645 9 13 10.12755 12.95257 9.20205 9 9 13 11.41666 12.8123 NA 9 10.123025 9 12.23299 9.81291 NA NA NA 9.014215 9.39358 12.71619 9 9 9.09529 13 11 NA NA NA NA NA NA NA NA 325663 Saframycin 9 7.88138 8.725635 8.77728 8.16003 8.34733 8.62392 8.46856 9 6.59025 6.826605 7.36593 7.6949 7.62479 8.50762 7.7689 8.33178 7.72232 7.70861 7.56359 8.006195 8.34306 7.96337 8.0144 8.49543 8.20557 8.08896 8.48531 7.51721 7.91137 8.40429 6.67841 7.993385 9 8 8.98964 7.59592 8.6039 7.42752 8.40228 8.36837 8.66949 7.69796 7.52783 8.49609 7.739825 8.53235 7.73264 8.51782 8.953485 9 5.93549 8.452885 8.26355 8.549255 9 8.79599 8.727465 9 9 326233 Epiepoxydon 3.86687 3.82453 3.915705 3.55397 3.87043 3.73255 NA 3.88474 3.976005 3.20412 3.80838 3.819185 3.73233 3.20412 3.66915 3.327475 3.428055 3.774885 3.847 3.80186 3.56407 3.572555 3.49846 3.93951 3.81715 3.88437 3.886235 3.739555 3.88459 3.83702 3.69158 3.62348 4.082905 3.81635 3.88369 NA 3.485745 3.90123 3.74126 3.631685 3.815605 NA NA NA 3.81597 3.85645 3.93178 3.32373 4.100535 4.00255 3.88605 3.77717 NA NA NA NA NA NA NA NA 328166 8B-Hydroxy-9B 7.176455 7.37355 7.197365 7.38156 7.28881 6.55104 NA 6.786695 7.51656 6.35549 7.34684 6.27446 7.215285 6.60965 6.94478 7.30141 6.718955 7.183255 6.54873 6.51625 7.2627 6.60653 7.21415 7.25715 6.99273 6.97954 6.97225 7.219705 6.84486 6.69785 7.11643 6.26268 7.390265 7.37664 7.39858 NA 6.415875 6.23961 6.47008 6.56292 6.74311 NA NA NA 6.59267 7.42578 6.670605 6.27748 7.538595 7.65213 7.51267 5.85949 NA NA NA NA NA NA NA NA 328403 Acetamide 8 7.187305 7.592895 7.53131 4.9115 7.510215 7.29076 7.22272 8 6.40145 4.3913 7.07182 7.19311 6.458375 7.56226 6.790475 7.68502 7.289365 7.34138 6.743815 7.65085 7.49635 7.28892 7.81698 7.92687 6.40066 8 7.50665 4.01667 7.34951 7.22634 5.84236 8 8 8 8 5.06415 7.1657 6.37197 5.986475 6.78537 7.1932 6.08912 6.05178 7.3162 6.52539 7.58262 6.07335 8 8 8 NA 7.42634 6.38151 6.45324 8 8 8 4.67593 4 328426 Phyllanthoside 8.597125 8.33575 8.47053 8.38631 8.46085 8.21843 8.362245 8.13245 8.84566 7.55736 7.89448 8.10808 8.22878 7.820065 8.47081 8.387755 8.24654 8.46904 8.38959 7.699115 8.36827 8.497145 8.398505 8.55089 8.13613 6.23932 8.35595 8.21062 8.32024 7.67442 8.09866 7.984905 8.75244 8.246645 8.453945 8.587805 6.11094 8.131755 7.777065 6.9112 7.7923 7.84402 6.94964 7.28955 8.14481 7.90017 8.46629 7.6033 8.40958 9.056365 8.52371 5.60206 8.21806 7.967535 8.058045 8.74563 9.175215 8.58194 8.446025 8.613815 329097 1 4.76644 4.0949 4.64758 4.69408 4.15377 4.55175 4.7786 4.45726 4.228845 4.63514 4.37759 4.6018 4.734 4.33374 4.232345 4.28985 4.53245 4.60422 4.58072 4.589685 4.567385 4.659775 4 4.77193 4.7528 4.7159 4.70375 4.69055 4.80078 4.71838 4.59489 4.107955 4.9807 4.81961 4.65754 4.63836 4.33333 4.71481 4.17427 4.299245 4.35719 4.78462 4.64208 4 4.46141 4.329875 4.72089 4.641535 4.64394 4.66385 4.77366 NA 4.48229 4.20443 4.70585 4.97125 4.74533 NA 4.73523 4.58061 329680 Hepsulfam A7-ALK-A7-C2 3.84696 3.34351 3.30313 3.50793 3.26381 3.5575 3.749495 4.308455 3.5395 3.86586 3.34251 3.22639 4.79919 3.960145 3.51587 3.56662 3.93722 3.71468 3.91334 4.0673 3.91659 3.33051 3.43159 3.52777 3.48069 3.426475 3.40305 3.433095 3.370305 3.54198 3.39425 3.35582 4.26207 3.46674 4.614605 4.500525 3.5407 3.87562 3.44441 4.21865 3.484655 3.83508 4.230785 3.190785 3.41067 3.48155 3.406405 3.24717 4.618785 3.51832 3.92808 3.54054 3.569465 3.88717 3.337185 3.23556 3.38702 3.37545 3.819725 3.672945 330465 330465 4.609765 NA 4.6286 4.74848 4.51181 4.53526 4.75672 4.67618 4.55842 4.75917 4.33776 4.44467 5.21566 4.634145 4.35644 4.45601 4.15995 4.52847 4.34935 4.5481 4.636175 4.67815 4.63817 4.87324 4.65714 4.80128 4.56122 4.52773 4.40195 4.45776 4.54976 4 4.56722 5.16266 4.55304 4.718835 4.7352 4.13403 4.28398 4.45898 4.47814 4.53873 4.52229 4 4.51548 4.25951 4.63283 4 4.68183 4.720945 4.45097 4.62298 4.610385 4.3292 4.37282 4.51759 4.65136 4.48176 4.5 4.3251 330500 Geldanamycin DP-anti-DNA-P5-Hb-Eb-Sr 6.49676 6.695705 5.860705 6.39595 6.54099 6.95659 5.87997 6.65153 6.778645 5.9742 5.21252 5.68285 6.625675 6.47161 6.64979 5.621665 6.29445 6.32852 5.91886 5.91151 6.47945 6.79676 5.9849 6.51829 6.94688 5.20503 6.70348 6.653435 5.27189 5.81579 6.4838 6.478255 6.76101 6.93756 6.94156 6.82705 5.081445 6.42042 5.17247 5.1754 6.50001 5.88336 5.163635 5.39427 6.48094 5.31349 7.09431 5.94074 7.12295 6.655395 6.82455 5.14253 6.63768 6.52111 6.68312 5.839215 7.00076 6.72567 NA 6.680095 330507 330507 7.60208 6.105085 6.856 7.23977 4.49556 8 7.647815 7.70065 7.47541 7.04923 4.94471 6.89407 8 7.28596 5.42471 6.06239 NA 5.554865 6.00341 6.85594 6.81081 8 7.09944 7.37394 4.432185 6.49458 7.58973 6.79097 4.98929 6.99044 7.06648 7.54767 6.30247 7.37994 6.19169 7.9251 6.5673 7.4242 4.82399 6.11237 7.02 7.29189 6.47727 7.1478 6.879565 4.90297 8 7.16009 7.37871 7.118455 7.92576 5.380165 7.15533 6.113455 5.78411 7.21825 7.53086 7.43982 4.9106 6.06356 330512 GLD-91-III 5.34389 5.393795 5.01862 5.17365 5.54133 5.48632 5.47855 5.385705 6.00294 4.77815 4.98517 4.68338 4.9385 4.80492 5.581965 4.4172 4.77386 4.798945 5.019325 4.75909 5.10422 6.058665 5.31196 5.381675 6.40999 5.193675 4.90386 5.420405 4.97038 5.116085 4.96553 4.90329 5.980245 6.32944 5.96264 6.037355 5.058085 5.446835 4.73198 5.21773 5.77433 5.396335 5.09158 4.976825 5.29521 4.715695 6.39002 4.86178 6.09761 5.6711 NA 4.69919 4.939645 5.016355 5.6894 5.39457 4 5.87636 5.30128 5.8043 330915 Glutarimide 2.48903 2.55733 2.30103 2.59841 2.45103 2.51897 2.65053 2.6769 2.59426 2.46159 2.35013 2.30103 2.63539 2.52068 2.97615 2.50131 2.640615 2.668365 2.5381 2.68816 2.52936 2.30103 2.3119 2.62005 2.30103 2.67298 2.5747 2.60796 2.70149 2.55484 2.322925 2.59568 2.77997 2.67211 2.76412 2.417515 2.71756 2.47519 2.721915 2.85559 2.664765 2.45355 2.668045 2.718245 2.55375 2.73946 2.82752 2.30103 2.91035 2.6177 2.58809 2.74966 2.951985 2.484455 2.656355 2.83562 2.56173 2.57255 2.779465 2.77088 332292 1-Propylagroclavine 4.865315 4.5887 4.525255 4.913745 4.69181 4.507835 NA 4.598765 4.6887 4.46123 4.65954 4.55797 4.778415 4.47393 4.79843 4.502585 4.740925 4.727015 4.4892 4.54841 4.55151 4.948405 4.73033 4.92207 4.56709 4.5621 4.54525 4.6329 4.995295 4.479855 4.570135 4.44703 4.96573 5.14398 4.9811 NA 5.075185 4.575085 4.8968 4.90703 4.73239 NA NA NA 5.08039 4.95667 5.03835 4.586365 5.52267 5.15683 4.95379 4.71335 NA NA NA NA NA NA NA NA 333856 Tetrocarcin 6.395695 6.16029 6.274875 6.0424 6.45711 6.01056 5.995255 6.126875 6.06527 5.713115 5.75203 5.809915 6.09692 6.02821 5.98502 5.95419 5.776915 6.35642 6.15051 6.03192 6.32894 6.02854 5.971585 6.10237 6.00631 6.039025 6.059985 5.98278 5.73447 6.042675 5.50837 5.60085 6.74199 6.044255 6.13337 6.067225 5.79673 6.05637 6.05092 5.77761 6.07751 6.13978 6.031095 5.792795 6.05562 5.965275 6.041635 5.7669 5.91399 5.94678 5.95292 5.30351 5.770815 5.807625 6.02702 6.675875 6.41809 6.2554 5.98145 5.82192 334352 9H-Thioxanthen-9-one 5.8364 5.71609 5.23789 5.65137 4.9853 5.99694 5.29933 5.82652 5.81199 6.57849 5.46932 5.41937 7.64752 6.69649 6.03892 5.48263 5.53723 6.09609 5.75088 5.93931 6.27001 5.52076 5.589425 5.8078 5.76037 5.64893 5.63015 4.97608 5.33707 5.56363 5.4123 5.67724 6.68013 5.68668 7.59907 7.802715 6.45578 5.64384 5.162045 6.019145 5.77077 5.94645 6.454665 4.90518 5.25131 5.87931 5.27002 5.05669 6.77904 5.772755 NA 5.48419 5.87984 6.33104 5.73213 NA 5.8064 5.83998 5.58092 5.71858 335142 6H-Pyrido[4 5.3604 5.1871 4.87931 5.16257 5.045825 5.264655 NA 5.18823 5.113725 5.25273 4.83719 5.22855 5.45769 5.19659 5.802395 5.08409 4.95134 5.12834 5.43776 5.12171 5.17357 5.223385 4.73405 5.62412 5.51613 5.29057 5.18049 5.02736 5.028055 5.33823 4.97964 5.123305 5.38771 4.98558 5.765005 NA 5.15167 5.35361 5.163425 5.27846 5.2811 NA NA NA 5.00705 5.176955 5.304925 4.73183 4.98136 5.21057 5.66745 5.16592 NA NA NA NA NA NA NA NA 336003 2-Methylolivacinium 4.599905 5.56854 5.18823 5.704915 5.11353 5.61395 4.598235 4.91757 5.48964 5.672465 5.30675 5.23721 5.457015 5.44293 4.83293 6.14074 5.86399 6.122285 6.03866 5.634415 5.418105 4.953225 5.19023 4.75514 5.15577 4 5.54875 5.20208 5.31312 5.517785 5.123605 4.777465 5.12913 5.335775 5.37858 4.57518 4.1179 6.25146 4 4.54216 4.29057 6.18963 4.4401 4.04851 4.9148 5.67043 5.81211 4.64196 4.7362 5.20018 5.395175 4 4.653515 4.9705 5.600445 6.08675 4.790445 4.56079 5.61328 5.669825 336628 Merbarone 4.62751 4.613905 4.46606 4.64929 4.30396 4.53458 4.584055 4.65242 4.575175 4.59064 4.48453 4.407075 4.6223 4.62334 4.71309 4.59415 4.5123 4.59076 4.51717 4.430725 4.55004 4.32691 4.324975 4.51197 4.42775 4.48661 4.409015 4.59809 4.35458 4.46148 4.44459 4.44338 4.66641 4.43902 5.10683 4.891535 4.52162 4.531245 4.54573 4.64455 4.50884 4.51926 4.626805 4.2778 4.40589 4.54478 4.53025 4.34382 4.56685 4.58881 4.71462 4.50619 4.665865 4.54393 4.48828 4.727105 5.09757 4.52288 4.9178 4.563835 337591 337591 4.497715 4.02376 4.447155 4.21133 4.16097 4.025695 4.483895 4.569955 4.642815 4.090055 4.00345 4.018195 4.817445 4.31021 4.65107 4.66967 4.59913 4.737765 4.606145 4.430695 4.68674 4.72085 5.113195 4.6932 4.08605 4.544 5.56581 4.320035 4.65552 4.26162 5.1899 4.1383 4.65507 4.16985 4.66977 4.922535 4.296475 4.516075 4.60452 4.63483 5.011445 4.968155 4.513875 5.467675 4 4.65481 4.9797 4.78318 5.23454 4.73297 4.40004 4 5.66089 4.464715 4.94796 4.6503 4.621275 4.77158 5.0435 5.438895 337766 Bisantrene T2-T2-T2-Db-In 7.24278 6.781445 6.74721 6.57282 6.530675 6.887665 6.55998 6.94704 7.15786 7.54679 6.71701 6.914765 7.60206 7.07093 7.128855 7.09832 7.22888 7.15279 7.08203 6.346025 6.95166 7.04242 6.741825 7.15661 6.948305 4.78402 6.95105 6.782785 6.7455 6.47726 6.61256 6.767695 7.60206 7.07488 7.60206 6.93593 4.67023 7.09759 6.42391 6.10909 6.47606 7.032915 6.518165 6.047275 6.57706 7.13633 7.21816 6.45171 7.232515 7.04318 7.35452 3.94222 7.038855 7.13108 5.18294 7.11963 6.809455 6.90415 6.683595 6.61112 338258 ELLIPTICINE 7.201175 5.727 6.287945 5.797505 6.169055 6.46644 NA 6.10107 6.44594 6.658945 6.19894 6.77338 7.355765 6.28113 6.49328 6.558095 6.23035 6.41843 6.44209 6.64397 6.04086 6.77606 6.72818 7.01821 7.362975 6.68577 6.88177 6.450425 6.87002 6.850535 6.40158 6.26108 7.63709 7.46508 7.621365 NA 5.987405 6.49839 5.72274 6.259365 6.576795 NA NA NA 6.01828 6.2642 6.451165 6.31351 6.59849 7.41587 6.78162 7.01934 NA NA NA NA NA NA NA NA 338720 Penclomedine 4.39175 4.40113 4.428085 4.410845 4.38773 4.37297 4.399865 4.44034 4.4415 4.40134 4.38589 4.364385 4.39217 4.37819 4.476695 4.419175 4.450905 4.355915 4.40844 4.39069 4.373405 4.39169 4.36756 4.37565 4.37551 4.385195 4.38308 4.40785 4.45104 4.356875 4.37812 4.314345 4.33583 4.43559 4.452795 4.3785 4.359155 4.394415 4.36034 4.42305 4.44616 4.39398 4.40445 4.33331 4.39834 4.386305 4.36681 4.38298 4.43055 4.465625 4.387985 4.363065 4.411265 4.41416 4.40178 4.475555 4.37223 4.407355 4.42042 4.44068 338947 Clomesone AC-ALK-A6-C2 4.32955 3.33044 3.2961 3.65128 3.30692 3.860375 3.69275 4.488885 3.67143 3.59814 3.47086 3.2774 4.01329 3.80728 3.836 3.93708 4.04251 4.13982 4.18371 4.34411 4.239315 3.33335 3.55072 3.75908 3.82384 3.697 3.57656 3.653705 3.383445 3.472395 3.36817 3.32416 3.896115 3.749565 4.020405 5.23725 3.262945 3.660485 3.27077 3.67863 3.82243 4.259275 3.823535 3.249655 3.80765 3.4757 3.29994 3.15418 4.02872 3.83902 3.70543 3.59003 3.33444 3.68151 3.49964 3.691855 3.003955 3.98783 4.00233 3.674795 339004 Chloroquinoxaline 3.88102 3.78518 3.641185 3.67244 3.738845 3.81325 3.54865 3.87283 4.68575 3.80664 3.71238 3.42827 3.74974 3.82771 3.78525 3.80805 3.747535 3.64672 3.58602 4.44143 3.88114 3.61097 3.76716 5.17815 4.40546 3.973265 3.74264 3.78885 3.80193 3.8288 5.71995 3.969105 4.078285 4.21847 3.92542 4.89814 3.7544 3.76556 3.977875 4.26713 3.95831 4.03357 3.934845 3.84088 3.53055 3.63771 4.11536 3.69294 3.843 3.89021 3.81819 3.948995 4.080925 3.773715 3.73114 3.80563 4.50207 4.697095 3.65801 4.01756 339555 Bryostatin 4.96257 4.96257 4.96257 5.264955 4.96257 4.96257 4.95861 4.96257 4.96257 4.998505 4.96257 4.96257 5.4065 4.96257 5.181815 4.96257 5.08093 4.96257 5.07337 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 4.96257 5.07825 5.13581 5.384345 4.968105 4.96257 4.96257 4.96257 4.992775 5.06476 5.219475 5.5164 4.95861 4.96257 4.96257 5.48854 4.96059 5.374355 4.96257 4.96257 4.96257 5.30745 4.95861 5.18102 5.203605 4.972035 5.083995 4.95861 4.95861 339638 Fostriecin 5.59142 5.24981 5.04247 5.25221 5.11353 4.93294 6.23114 5.35911 4.82938 4.96069 4.7564 5.2066 4.91664 5.21774 5.55458 4.492205 4.4113 4.88757 4.802495 5.297145 5.14563 5.67428 5.30876 5.50262 4.98305 5.10202 5.22958 5.366205 5.10657 4.93336 5.35634 4.97658 5.822335 5.77859 5.16476 5.39872 4.97752 4.87163 4.68965 5.52935 5.27902 5.10932 5.30629 4.877255 5.17678 5.19571 5.562 5.139175 5.99714 5.985355 5.51285 4.908315 5.3166 5.41371 4.15455 5.29463 5.92222 5.92329 5.22137 4.358385 339875 PHORBOL 4.77414 4.46207 4.357055 4.647935 4.400745 4.422175 NA 4.442575 4.517535 5.37624 4.36489 4.427765 5.810125 5.97453 4.358655 4.292185 4.246635 4.42096 4.431045 4.98063 4.37882 4.384815 5.01544 4.49722 4.92967 4.50234 4.31519 4.33073 4.519975 4.43473 4.32277 3.978975 5.41032 5.5933 5.35813 NA 4.33916 4.39612 5.62824 4.511415 4.32291 NA NA NA 4.36396 4.33541 5.758265 4.12049 5.66276 4.85301 4.37228 4.31114 NA NA NA NA NA NA NA NA 341651 SENECIOYLCHAPARRIN 7.61983 7.551765 6.68193 7.51628 7.47908 7.205145 NA 7.27832 7.52467 5.900235 6.684575 5.908705 7.27801 6.65815 7.24263 6.72874 6.71833 7.380265 6.725135 6.55038 7.40309 6.99755 7.22574 7.45688 6.83535 6.31425 7.17311 7.4195 7.07398 6.65533 7.1916 5.54908 7.47223 7.4884 7.6283 NA 5.54374 6.387785 5.83272 5.4921 6.53477 NA NA NA 7.04981 6.78245 6.167795 6.170295 7.58345 7.49285 7.635595 4.62698 NA NA NA NA NA NA NA NA 342435 QUINAZOLINONE 4.789905 4.59833 4.655785 4.655215 4.35434 4.38708 NA 4.715045 4.68646 4.434675 4.46865 4.130955 4.57119 4.57264 4.41271 4.21053 4.437265 4.39055 4.46501 4.5115 4.47264 4.377505 4.55902 4.450275 4.65171 4.962385 4.66644 4.55119 5.95909 4.44946 4.32196 4.39157 4.6475 5.053595 4.950365 NA 4.477515 4.397245 4.63882 4.38905 4.50893 NA NA NA 4.278245 4.67218 4.48636 4.321425 5.22151 4.67398 4.82173 4.74068 NA NA NA NA NA NA NA NA 343499 CI-921 7.3528 6.27998 5.80484 6.93622 5.72044 7.42221 6.82696 7.1881 6.63711 7.97839 5.81262 5.47239 8 7.6325 7.2511 7.29683 6.88102 7.50421 6.95299 7.43359 7.17451 6.41584 6.31821 6.84036 6.83679 6.58675 6.31888 5.91418 5.73973 6.57724 5.714555 7.39175 8 6.79022 8 8 6.47896 7.51882 6.93206 7.69288 6.29559 7.33529 7.9531 5.89931 5.70536 7.20978 5.95018 6.47337 8 7.258295 6 5.644825 NA NA NA NA NA NA NA NA 343513 Dihydrolenperone 4.286525 4.216885 4.231665 4.26639 4.21726 4.17555 4.28221 4.21869 4.18824 4.18877 4.248725 4.2191 4.22352 4.22741 4.56631 4.20216 4.29128 4.258235 4.21205 4.197925 4.21757 4.256215 4.2563 4.260645 4.21146 4.20514 4.210185 4.26213 4.24801 4.18372 4.179735 4.16048 4.121635 4.25063 4.249215 4.19068 4.544635 4.19008 4.30004 4.29903 4.302455 4.27812 4.30183 4.402375 4.216025 4.285305 4.229905 4.21597 4.268 4.1714 4.19711 4.19983 4.32725 4.21745 4.2361 4.29411 4.246615 4.211505 4.33082 4.266365 344007 Piperazine mustard A7-ALK-A7-C2 4.10381 3.90024 3.468005 3.667835 3.42757 4.13316 3.889735 4.914915 4.00001 3.90987 3.648535 3.04374 5.18451 4.206285 3.84887 3.73183 3.903105 3.992135 4.21318 4.34301 4.43267 3.56969 3.4941 3.68278 3.706665 3.68477 3.25571 3.73146 3.73952 3.878315 3.5539 3.69993 5.061 3.71736 5.11821 4.97775 3.7906 4.53066 3.687185 4.771125 3.83435 4.354655 5.02106 3.391735 3.6753 3.758395 3.82311 3.65418 5.21132 3.830605 4.27091 3.85009 3.61905 4.21767 3.373235 3.54241 3.51497 3.742605 3.80895 4.17218 348894 Benzenesulfonamide 6.04737 5.372 4.7 5.5823 4.30903 5.98682 5.294905 5.91957 5.55806 6.38668 5.23985 4.30279 7.482755 6.169265 6.496345 6.22603 6.336985 6.58861 6.175205 5.709 6.36529 4.31408 5.15388 5.46443 6.0695 4.4622 5.20797 4.98442 4.45303 5.58352 4.77607 5.78784 7.22222 5.78938 7.33518 7.47034 4.89586 6.40509 5.83647 5.4317 4.94524 6.08821 5.80053 4.01271 4.8773 6.31714 4 4.235415 6.86568 5.49604 7.24741 NA 4.79271 5.73749 4.6386 5.82331 4.48728 4.14818 5.14456 5.93534 348948 Cyclodisone AC-ALK-A7-Cp 4.83864 4.21104 4.30074 4.417795 4.11037 4.38566 4.29948 4.9562 4.348835 4.422235 4.189225 4.118555 4.89378 4.46741 4.35589 4.46843 4.56995 4.66285 4.7812 4.92064 4.914295 4.238085 4.40087 4.43288 4.31555 4.30111 4.29366 4.339895 4.319965 4.2879 4.308175 4.16088 4.72706 4.20452 4.977775 4.31764 4.21989 4.30083 4.27191 4.399555 4.42738 4.876815 4.82105 4.06981 4.29644 4.32117 4.32921 4.10179 4.972975 4.36348 4.316135 4.27955 3.96934 4.292125 3.99445 4.21879 4.405325 4.459825 4.43786 4.27817 349051 349051 5.749195 4.761845 5.22408 5.38395 5.45481 4.89829 5.73216 5.543355 5.773695 5.31933 5.129 5.42605 5.650935 5.423305 5.70038 5.45792 5.53744 5.603675 5.38432 5.67342 5.734815 5.70526 5.76008 5.73976 5.78658 5.56017 5.56913 5.742605 5.50791 5.6858 5.43264 5.32702 5.64736 5.77055 5.60574 5.58842 5.356205 5.54743 4.787985 4.97888 5.656915 5.70191 5.56656 5.29123 4.82239 4.857665 5.77473 5.09094 5.71065 5.60624 5.600315 5.34145 5.438145 5.41535 5.65427 5.48595 5.219235 5.60854 4.936545 5.68241 349155 MARGETINE 6.536705 6.32804 6.34785 6.845355 6.313035 6.31746 NA 6.37303 6.61707 6.35006 6.50044 6.338935 6.66531 6.34379 6.06288 6.650075 6.251935 6.69475 6.481805 6.20743 6.3271 6.458135 6.371075 6.798475 6.46777 6.29822 6.48603 6.383645 6.988165 6.640015 6.31122 6.19628 6.74234 6.50362 6.74058 NA 6.241005 6.5001 6.09228 6.491335 6.23002 NA NA NA 6.18808 6.31303 6.696535 5.965565 6.95189 6.38816 6.5176 6.2369 NA NA NA NA NA NA NA NA 349156 Pancratiastatin 7.526035 7.434605 7.60475 7.616515 7.32109 7.330625 7.506125 7.31068 7.44824 7.04387 7.21157 7.368545 7.29686 7.255085 7.560415 7.64782 7.59639 7.64782 7.29532 7.31811 7.45882 7.255695 7.347555 7.57019 7.3774 7.23384 7.3031 7.53813 7.625355 7.520165 7.25594 7.286365 7.54886 7.28965 7.48995 7.56468 7.0652 7.37023 7.174835 7.64782 7.42106 7.418445 7.64782 7.30642 7.4255 7.44877 7.56894 6.77613 7.41137 7.14521 7.57128 7.0482 7.24216 7.57725 7.47817 7.472945 7.43115 7.43902 7.15293 7.60207 349174 Oxanthrazole (piroxantrone) T2-T2-T2-Db-In 6.05404 5.840685 5.59283 6.00831 5.39656 5.8978 5.47152 6.052295 5.88897 6.38671 5.485705 5.46476 6.81304 6.46943 6.262785 6.344125 6.12376 6.23615 5.865035 6.09148 5.98014 5.49089 5.43538 5.78505 5.958605 5.24613 5.53086 5.333225 5.41166 5.7831 5.569375 5.76198 6.28417 5.92331 6.59784 6.53557 5.155905 6.526355 5.63076 6.10528 5.551425 6.14093 6.162425 5.183095 5.2141 6.38202 5.73355 5.29314 6.2305 5.91928 6.321435 4.54831 5.403915 5.945335 5.384415 6.13513 5.513035 5.44589 6.15812 5.53141 349438 4-Ipomeanol 2.20772 2 2 2.41799 2 2.0375 2 2.29047 2.39256 2.36153 2.14936 2.0305 2.15289 2.04865 2.56049 2.1429 2.465065 2.13601 2.13798 2.18534 2 2 2 2.14306 2 2.03274 2 2.33513 2.27446 2.15317 2.01846 2 2.19397 2.22829 2.42593 2 2.5058 2.074855 2.45032 2.10759 2.176315 2 2.21081 2.135935 2.313035 2.24607 2.18102 2 2.42983 2.4847 2.26543 2.30817 2.24661 2.067765 2 2.280865 2 2 2.54041 2.291425 349644 CYANOCYCLINE 7.7776 7.34267 7.727365 7.26438 7.3066 7.54498 7.49531 7.370725 8.54406 6.40895 6.59668 6.57905 7.26891 6.57172 7.66077 6.48282 7.44624 7.04192 7.11813 6.653685 7.20018 7.59947 7.05124 7.62899 7.66087 7.81705 7.326225 7.64216 6.90594 7.68339 7.48539 6.46364 7.63584 8.28224 7.6856 8.322085 6.98873 7.47599 6.66977 7.7779 7.63264 7.69844 7.31213 7.23921 7.60173 6.93053 8.38946 6.70826 7.76929 7.784625 7.70174 NA 7.05125 6.44094 7.2657 6.86838 7.22462 7.25785 7.63429 7.73754 350102 1 6.5457 7.002125 7.00139 7.197265 6.31121 6.83112 7.053075 6.46306 7.274795 6.51345 4.760145 6.26865 6.716405 6.75211 5.8513 6.20901 7.221695 6.383365 6.118995 7.19092 6.831965 7.00824 6.55338 6.91775 6.90884 7.04719 6.615675 7.11714 4.21914 6.40534 6.905725 6.48526 6.657065 7.32324 6.445685 6.16543 6.231855 6.228715 6.19021 6.970635 6.534635 6.91889 5.51781 4.48307 4.64888 6.55192 6.59958 5.458785 7.01092 6.91183 7.33559 7.572345 7.145515 6.636705 6.95076 7.68425 7.757325 7.721605 4.28587 5.680625 350629 350629 5.54893 5.735805 4.83407 5.26735 5.59264 4.7227 5.71034 5.442865 6.39971 4.659905 4.72438 4.747565 4.70039 4.72144 6.23594 4.721185 4.79218 4.670185 4.681655 4.67082 5.00956 5.59918 4.734555 5.63592 5.91073 5.54185 4.75023 5.70794 5.42558 5.59049 4.78903 4.71981 6.726685 6.178195 6.251805 5.8767 5.735985 4.914995 4.77673 5.71013 5.74371 5.651445 5.78623 5.618935 5.6541 5.157095 6.141315 4.68697 6.366325 5.540785 5.75239 NA 4.81546 4.757685 5.60259 4.70473 5.20925 5.51801 5.583925 5.537095 351075 1H-Azepine-1-carbothioic 5.3021 5.632345 5.18073 5.61851 5.151025 5.23315 5.46432 5.503295 6.39481 5.387825 5.2471 5.16974 5.82115 5.95206 4.95334 5.11417 4.94015 5.157645 4.9917 5.25131 5.33052 6.75918 5.51747 6.364155 5.66769 6.14703 5.32816 6.16915 5.50763 5.48848 5.42183 4.49334 6.876315 7.17327 6.947345 5.39687 5.181385 4.830335 4.723255 5.174545 4.70889 5.34241 5.399475 4.72961 5.59643 5.15316 6.08858 4.69781 6.238225 7.064045 5.57915 NA NA 4.50186 5.11951 4.48127 5.01873 5.18873 4.7945 5.46774 351078 Hydrazinecarbothioamide 4.631695 4 4.05498 4.47493 4.000295 4.32365 4.55777 4.65852 5.54882 4.289 4.620595 4.78117 4.454845 4.39634 4.155385 4 4.00959 4.37409 4.345945 4.380105 4.39865 5.61407 4.441125 6.45668 4.71151 5.759835 4.30635 4.95792 4.20114 4.70846 4.13466 4 6.20131 6.25657 5.97727 5.92937 4.58147 4.154 4 4.36677 4.172975 4.28808 4.40083 4 5.04262 4.11984 6.153615 4.01011 5.9082 5.38455 4.61441 5.689085 4.71959 4.29165 5.52379 4 4.13551 4.0128 4.302015 6.384215 351105 4 5.78863 5.33491 5.359755 5.70788 5.520735 5.269945 5.61527 5.83313 5.57207 4.82656 5.10911 4.97194 5.45714 5.85952 5.43316 5.18687 5.27833 5.6705 5.47569 5.19325 5.778805 5.74769 5.099905 5.77965 5.73641 5.7437 5.66315 5.42115 5.256595 5.53997 5.45622 4.88155 6.01132 5.73623 5.75035 5.74526 5.67138 5.79322 5.06714 5.38769 5.65753 5.771235 5.47427 4.88003 5.49154 5.139205 5.26234 5.08626 5.99652 5.79881 5.51046 5.6307 5.36304 4.91771 5.23821 5.50096 5.52164 5.39532 5.462445 5.2152 351710 2-Methylellipticinium 4.95762 5.95724 5.61769 5.89394 5.60671 6.020675 NA 5.377505 6.0452 6.691115 6.10708 6.07185 5.710195 6.33279 5.82202 6.60058 6.6792 6.7168 6.62421 6.581145 6.357785 5.184965 5.648995 5.462115 6.2951 4 6.34107 5.61187 5.527585 6.45532 5.40759 5.180555 5.61578 5.5626 6.05214 NA 4.61872 6.69313 5.62666 5.52871 5.729855 NA NA NA 5.192845 6.57892 6.17775 5.10682 5.02472 5.06239 5.72077 4 NA NA NA NA NA NA NA NA 352122 Trimetrexate RF-anti-RNA-Ds-Nd-Nr-Af 9.578025 9.15876 6 9.751365 8.54058 9.21564 9.54902 9.6242 8.445335 10 7.12288 7.70434 9.832975 8.92569 7.632325 7.68411 6.7433 9.288285 9.16115 9.509865 9.62218 9.70524 8.07956 9.75927 9.434475 9.35692 8.72695 7.51412 6.4375 9.16511 9.52762 8.13727 9.5366 9.93702 9.56955 9.38526 8.52181 9.380815 8.13974 8.48566 8.30609 9.09443 9.38537 8.01018 8.003005 6.58333 8.49672 7.54668 9.08474 8.37171 8.8261 7.74232 9.36161 9.1313 6 6.61976 9.41164 9.702545 6 7.103445 352277 COLCHICIDE.HCL 7.18572 7.14187 7.320455 7.38564 5.61091 7.267425 7.183395 7.37058 7.4568 6.33516 4 6.751825 6.79928 6.50737 6.95818 7.04738 7.59117 6.92968 6.95812 7.119735 7.44227 7.338945 6.97229 7.21621 7.34799 6.55529 7.41833 7.47561 4.43182 6.45725 6.65556 6.63075 7.39829 7.43499 7.28579 7.135315 5.21782 6.28343 6.52699 6.36791 7.24491 6.91443 5.95419 4 7.21687 6.3618 7.369415 4.86009 7.582205 7.39082 8 NA 7.81841 7.20459 6.85677 4 8 8 6.36044 4 352299 2-Methylellipticinium 5.0139 5.968215 5.593265 5.930515 5.612885 6.16145 5.12843 5.30765 6.13421 6.59621 6.059665 5.97082 5.71899 6.340975 5.685965 6.527475 6.72592 6.57614 6.60553 6.66321 6.354725 5.27017 5.70806 5.40894 6.346525 4.73719 6.32016 5.593365 5.526 6.461265 5.41536 5.42923 5.666435 5.534715 5.99 6.30369 4.83939 6.74497 5.62919 5.33724 5.91767 NA 4.89432 4.56604 5.25301 6.58008 6.23897 5.01134 5.10307 5.02372 5.65203 5.060325 5.31575 6.28361 NA NA 5.0445 5.717 5.62326 6.80269 353076 2-[2-(Diethylamino)ethyl]ellipt 6.359695 6.16516 6.344765 6.56389 6.37631 6.590045 NA 6.260875 6.633095 6.24183 5.89979 6.143685 6.39971 5.91578 6.50688 6.71662 6.61291 6.68002 6.578605 6.069015 6.38807 6.26447 6.460815 6.616835 6.214 4.719115 6.47208 6.59575 6.544885 6.38767 6.38597 5.80489 6.68726 6.62102 6.6313 NA 4.666825 6.56158 5.47811 5.95576 5.69714 NA NA NA 6.266005 6.50994 6.80852 5.94878 6.451875 6.21479 6.44126 4.08974 NA NA NA NA NA NA NA NA 353451 Mitozolamide AC-ALK-A6-C2 4.731115 3.74116 3.56866 3.77366 3.615655 3.793535 3.693065 4.60519 3.795525 3.76463 3.56178 3.73257 4.32452 4.26041 3.85334 3.98081 4.340585 4.33093 4.46766 4.509935 4.4291 3.81196 3.799285 3.89396 3.790935 3.720205 3.80173 3.72596 3.825315 3.81631 3.68599 3.8009 4.33174 4.12845 4.47996 4.19436 3.651375 3.946815 3.697855 3.9211 3.78677 4.491845 4.27474 3.65889 3.77257 3.725775 3.771795 3.556145 4.43563 3.775235 3.87884 3.782515 3.75687 3.99778 3.65897 3.621605 3.76498 3.854145 3.99801 3.602995 353527 353527 7.79525 7.43131 7.29322 7.52308 7.47404 7.570795 7.598575 7.696755 7.75247 7.57039 7.403015 7.24812 7.69324 6.708955 7.6 7.25385 7.630325 7.563415 7.577605 7.32556 7.639675 7.73758 7.593345 7.87739 7.798645 7.67212 7.83711 7.76766 7.316405 7.453715 7.392395 7.371 7.838225 7.863365 7.698125 7.62009 7.361315 7.65862 7.47813 7.64213 7.79378 7.86222 7.32143 7.32138 7.358165 6.74299 7.779035 7.348375 7.76787 7.70159 7.57853 7.65596 7.22508 7.20944 6.98782 7.24764 7.82102 7.68736 6.82816 7.36478 353882 353882 4.15005 4.08332 3.98041 4.04149 3.937745 4.080725 NA 4.091815 4.86499 3.79889 3.89716 4.12448 4.03363 3.849665 5.50868 3.86464 4.12107 4.014585 3.8288 3.98393 3.9491 3.96262 3.921475 4.06863 3.99627 4.02725 4.07847 3.92346 3.98769 3.95531 3.79704 4.011555 4.25439 3.85898 3.90866 NA 4.09633 3.95327 4.006995 4.04644 4.05947 NA NA NA 4.049355 3.93375 4.093875 3.88552 3.99185 4.02604 3.74593 4.02084 NA NA NA NA NA NA NA NA 354049 LMU-3 5.873505 5.751535 5.65293 5.38777 5.76332 5.62633 5.66449 5.77949 6.16646 4.93212 5.52054 4.82777 5.19401 4.67109 5.54274 4.89855 5.10753 5.35597 5.39444 4.81633 5.70726 5.52763 4.87188 5.82512 5.85893 5.71137 5.37917 5.61639 5.39725 5.59357 5.06227 4.74625 6.5201 5.88321 5.95652 6.32622 5.18634 5.64651 4.98343 5.57689 5.75876 5.704735 5.53422 5.3606 5.68615 4.912875 5.79639 4.84471 6.46818 5.996 5.50092 5.40104 4.99781 4.78062 5.57487 5.51162 5.6976 5.75604 5.80364 5.57604 354051 Liscunditrin 5.81999 5.775965 5.74456 4.99769 5.73913 5.21177 5.64396 5.76332 6.46027 4.73023 5.57271 4.7225 4.80216 4.65674 5.67345 4.81282 4.92013 5.35885 4.949475 4.77986 5.68216 5.34827 4.78258 5.80973 5.89079 5.67769 5.13136 5.39373 5.01298 5.73184 4.88947 4.74669 6.38808 4.52934 5.36826 5.67885 4.94082 5.46586 4.83618 5.73586 5.80168 5.640405 5.40038 5.5372 5.38996 4.665775 5.787975 4.81883 5.85622 4 5.40514 4.91924 4.85256 4.76695 5.21907 5.43165 5.58581 5.44649 5.75181 5.52138 354646 Morpholino-adriamycin T2-T2-T1-Db-In-T2 8.244845 7.770935 7.72914 7.80163 7.4387 7.59132 7.4189 8.01764 7.703335 8.12208 7.31382 7.929945 8.43911 7.569745 7.53879 7.598925 7.87992 7.79526 7.58401 7.80823 7.81615 7.96333 7.700145 8.51673 8.09443 7.7666 7.53297 7.62453 7.65615 8.127245 7.59795 7.362705 7.71078 8.04606 8.02399 8.30531 7.63912 7.69669 7.838 7.997025 7.65444 7.97843 8.32577 7.22451 7.6269 7.97991 7.82507 7.38298 7.628215 8.019225 7.53597 6.9612 7.47166 7.261715 7.33294 7.541715 7.312325 7.45462 7.44885 7.243255 354670 3-Azabicyclo[3.2.2]nonane-3-car 6.37267 6.11184 6.1631 6.71408 6.16537 6.358225 6.64755 6.71552 7.526775 6.57748 6.69325 6.36336 7.540775 6.36368 6.11832 6.29919 5.45988 6.41297 6.3191 6.38355 6.48141 7.15555 6.40009 8 6.73821 6.91028 6.70252 8 6.22909 6.5662 6.95895 6.436685 8 8 8 6.89558 6.43145 6.03333 5.69271 6.16406 6.33589 6.45024 6.453665 6.01173 6.879635 6.44835 8 6.563815 8 7.3596 8 8 6.642 6.592555 7.12933 5.215335 6.383725 6.047075 5.97177 7.084445 354843 Albacarcin 6.49493 6.21619 6.112555 6.22902 6.06467 6.5727 NA 6.225775 6.430455 6.432215 6.03027 6.196015 6.863685 6.56089 5.87955 6.23635 6.168655 6.34752 6.45822 6.35717 6.3062 6.35211 6.212485 6.67214 6.49655 6.17131 5.9562 6.051055 6.33136 6.560265 6.032375 5.90512 6.94219 6.50368 7.20621 NA 5.94824 6.398415 6.1552 6.27352 6.42022 NA NA NA 6.11465 6.34982 6.220325 6.060515 7.067925 6.21511 6.45605 6.1073 NA NA NA NA NA NA NA NA 354974 Acetamide 5.322705 5.31658 5.47806 5.56121 5.05702 5.44461 5.43139 5.36287 5.728335 4.42178 4.64489 5.16013 5.27606 5.208155 5.537025 5.26271 5.36344 5.398715 5.26817 5.37917 5.507495 5.50546 5.23239 5.40152 5.3401 4.540945 5.47312 5.63035 4.69848 5.16975 5.21125 5.40546 5.45127 5.45931 5.28247 5.49989 4.1824 4.98862 4.760045 4.622525 5.552775 5.14981 4.48594 4 5.131395 4.79006 5.46779 4 5.58284 5.32706 5.583045 4.45411 5.1902 4.73252 5.31622 5.575205 5.79712 5.80618 5.6534 4 354975 354975 5.16557 5.11611 5.557595 5.487085 4.52767 5.254095 5.0988 5.14207 5.59713 4.424745 4.447785 4.36854 4.569385 4.687535 5.44733 5.315795 5.56198 5.46326 5.216265 4.71098 5.50666 5.47547 5.273525 5.24316 5.238095 4 5.44731 5.63693 4.49667 4.871575 4.347005 4.91395 5.4525 5.42444 5.322565 5.24531 4 4.916865 4.4731 4.08156 4.86216 4.69438 4.141205 4.205935 4.36912 4.469265 5.443525 4.021475 5.655575 5.413 NA NA NA NA NA NA NA NA NA NA 355256 Benzamide 7.30242 6.8607 7.43944 7.43577 6.80779 7.17735 6.591595 7.30901 7.728385 6.346785 4.50041 6.71481 6.70709 6.34724 7.33146 6.91865 7.39109 7.40783 7.1352 6.72021 7.644635 7.47055 7.14262 7.39512 7.38273 5.46132 7.48542 7.574845 4.616755 6.64205 7.16574 6.66229 7.44731 7.43154 7.38814 7.62152 4.9255 6.62713 6.24917 6.06874 6.48145 6.47862 5.63803 5.987555 7.05037 6.602205 7.31239 6.00518 7.60769 7.47816 8 4.84567 7.14092 6.57485 7.51542 7.60167 7.78455 7.87256 7.081415 4.72604 355644 Anthrapyrazole-derivative T2-T2 7.00512 6.39169 5.77794 6.84017 5.77712 6.97037 6.203435 6.94076 6.97265 7.61349 5.72135 6.414145 8 7.67888 6.707745 7.49058 7.513375 7.84972 7.02696 7.35973 7.388325 6.277415 6.61012 6.743755 6.61046 5.65573 6.40696 5.892325 5.96155 6.67747 6.15499 6.84731 7.50164 6.4845 7.58526 7.426935 5.82841 7.44165 6.8157 7.13873 6.23864 7.093945 7.035355 5.822635 5.791275 7.669445 6.2529 5.99834 7.21059 6.95503 7.40892 4.77179 6.25489 7.19385 6.01368 6.479675 6.03459 5.93287 6.54426 6.20892 356207 1-Cyclohexene-1-carboxylic 5.32713 4.844025 4.78571 4.83892 5.16487 4.890665 4.755125 5.29338 5.6755 4.525795 4.783805 4.74378 4.67715 4.6424 5.443145 4.783385 4.72247 4.976245 4.987655 4.7303 5.07458 5.08195 4.66725 5.08356 5.567155 4.80525 5.084175 4.734945 5.37102 5.49063 4.701305 4.6862 5.63524 5.6201 5.53159 5.65114 4.74444 4.827045 4.456915 4.72645 5.39586 4.92568 4.717765 4.782065 4.828 4.75158 5.41392 4.690655 5.67168 5.648225 4.839895 4.02484 4.804085 4.72396 4.707685 5.10722 4.762535 4.878655 5.128895 4.949925 357704 Cyanomorpholinodoxorubicin AI-ALK-Db-Gr-Ag 10.84908 9.83001 10.1551 10.50587 9.82733 10.33113 10.10592 10.91147 10.35504 10.30187 9.46163 9.98104 11.00141 10.73411 10.031415 10.09409 10.637765 10.628135 10.219545 10.97752 10.45217 10.442465 10.08072 10.440935 10.021635 10.21509 10.26207 10.44516 10.37119 10.35773 10.0775 10.13344 10.44776 10.246255 10.566465 10.097 10.45416 10.46166 10.44393 10.43861 10.51841 10.594935 10.59654 9.43329 10.003895 10.57738 9.74499 10.12982 10.44465 10.432335 10.516395 10.0541 9.96027 10.237265 10.02469 10.22934 10.11606 10.073075 10.37642 10.045995 359079 Rebeccamycin 6.89274 6.641085 6.412775 6.75863 6.421135 6.59944 6.45413 6.9465 6.71694 6.53833 6.36325 6.48969 6.805615 6.712365 6.60868 6.45883 6.66635 6.786265 6.79329 6.57441 6.66101 6.51433 6.16727 6.90682 7.05012 6.35168 6.20918 6.50028 6.43896 6.78397 6.54202 6.51394 7.34958 6.893635 7.28111 7.44111 6.53953 6.700875 6.827195 6.72895 6.65524 6.880675 6.81556 6.38312 6.64723 6.68897 6.41531 5.95162 6.67872 6.67339 7.09425 6.38362 6.70164 6.57833 6.37805 6.5091 6.5094 6.49009 6.53625 6.81276 359239 Antibiotic 6.54681 7.30514 6.94255 6.89243 7.13138 6.76037 6.40755 6.75641 8 6.6467 6.70355 6.53982 7.08342 7.272425 6.36986 6.88213 7.08389 6.96482 6.80978 6.78991 6.43834 6.469215 7.46814 6.70734 6.50235 6.34353 6.47657 6.55286 6.26386 6.40652 5.97741 6.750835 6.88983 5.90335 6.93028 6.69769 5.927735 6.93899 6.76932 6.29405 6.18896 6.53057 6.50388 6.30341 6.56398 6.66806 6.81584 6.28347 6.62386 6.59081 6.48311 5.82653 6.43742 6.41963 6.78062 6.7828 6.51919 6.56827 6.40011 6.02038 359449 ELLIPTICINE 5.409975 6.37669 6.35768 6.36077 6.383515 6.23663 NA 6.03927 6.51103 6.055515 5.89881 6.066325 6.62038 5.9834 6.37593 6.68058 6.546045 6.69642 6.508995 5.95478 6.31364 6.1306 6.34257 6.486175 6.292655 4.73685 6.39228 6.59034 7.0629 6.62647 6.29754 5.55378 6.60268 6.3562 6.73773 NA 5.19237 6.5403 5.63578 5.70607 5.73683 NA NA NA 6.01425 7.05638 6.584205 5.749585 6.73557 6.54262 6.49442 4.06489 NA NA NA NA NA NA NA NA 360239 360239 4.83086 4.246865 4.235025 4.57982 4.402465 4.53584 4.384745 4.191545 4.64824 4.689425 4.39907 4.748915 4.74272 4.200075 4.30689 4 4.606235 4.535885 4.670295 4.3313 4.443865 4.66034 4 4.68793 4.48668 4.698635 4.689995 4.6592 4.716885 4.7164 4.47029 4.008415 4.88816 4.854595 4.640555 4.68876 4.324005 4.34818 4.34871 4.19528 4.22112 4.403315 4.32383 4.31905 4.102445 4.225465 4.28649 4.094445 4.68667 4.375105 4.730245 4.7144 4.606855 4.321855 4.36007 4.44397 4.77231 4.632155 4.772515 4.75343 361128 Skyrin 4.88949 4.750075 5.02366 5.04708 4.996605 4.879045 NA 5.281345 4.69667 5.04194 5.16523 4.768045 5.14847 4.925715 4.94389 5.118075 4.844345 5.13838 4.748975 4.96251 5.00264 4.87661 4.980475 5.050655 4.867565 5.07182 5.03367 5.17548 4.961215 5.056715 5.081925 4.61301 5.10551 5.11477 4.9596 NA 5.12854 5.12436 4.75904 4.63016 4.71535 NA NA NA 4.69707 4.58685 4.774805 4.411505 5.152005 5.27769 5.06731 4.46022 NA NA NA NA NA NA NA NA 362453 Butanedioic 5.709645 5.89031 6.21086 6.26787 5.479405 5.52276 5.96701 6.14738 6.17868 5.231505 5.14279 5.439675 5.476545 5.65625 8 5.43096 7.02906 5.807575 5.68313 5.82714 5.856885 5.472325 5.731265 5.732965 5.34451 5.90223 6.24723 5.72737 4.99822 5.346405 5.486045 5.56954 6.193045 5.97507 5.721965 6.31067 5.4356 5.591945 5.42782 5.42315 6.27145 5.58034 5.22067 5.035025 4.41234 6.1236 5.71291 4.86945 6.139335 5.51638 6.19018 5.31638 5.57328 5.43884 5.62297 5.859985 6.76454 6.6847 4.92365 4.49134 362454 4-Pyridazinecarbonitrile 7.08685 6.18789 8 6.15943 4.74398 5.42039 7.13723 6.37026 7.15787 6.04627 5.65839 6.602595 6.31897 5.71534 4.69008 5.30989 6.27466 6.35415 5.28736 6.2412 6.26355 6.27684 5.67375 6.46875 7.106445 6.52334 6.40809 6.13978 4.91256 6.707625 6.4161 5.99883 5.98473 6.62748 6.25645 6.36037 5.25135 6.23849 6.49812 5.43592 5.7235 5.83004 6.00539 5.47362 5.26523 5.25471 6.05267 5.00165 6.68868 6.43573 6.16762 6.23229 5.66473 5.41339 6.29404 6.05251 6.85495 7.28289 6.05591 5.633095 363182 U-64815 4.95887 5.05124 4.86416 4.80808 4.89783 4.818635 4.77234 4.95617 5.19843 4.65022 5.335295 4.822115 4.87266 4.78757 4.96435 4.81993 4.69957 4.943615 4.84187 4.769475 4.6971 4.80636 4.78505 5.27345 4.96693 4.715825 4.8102 5.22667 4.73962 5.01887 4.78092 4.651995 5.57451 5.37803 5.411145 4.63448 4.76502 4.87052 4.76559 4.72737 4.87233 4.77352 4.82991 4.58771 4.836275 4.55732 4.96274 4.75936 5.43405 5.463205 5.30528 4.10082 NA NA NA NA NA NA NA NA 363812 Tetraplatin A7-ALK-A7-C1-Re 6.033375 6.70863 5.23656 6.46833 5.888925 5.909335 5.73874 6.250655 6.39314 6.15128 4.8758 5.183225 6.40877 5.31156 5.215635 5.397505 5.242695 5.79523 5.85206 6.00152 5.85206 6.517375 6.055255 6.661755 6.743685 6.159425 5.739625 5.6813 5.54364 5.87978 6.102025 5.003585 6.56652 6.27094 6.903565 6.24542 5.63711 6.04875 5.37725 6.15802 5.61882 6.735235 6.00389 5.193495 5.54272 5.98384 6.26871 5.700835 6.49272 7.0142 6.21678 5.82379 5.9858 5.48543 4.471495 5.451685 5.985155 6.087815 5.59054 5.94928 363979 B712496K588 9.39448 7.90999 8.59982 8.28243 8.878275 8.703955 9.49938 9.4464 9.35481 9.27712 7.8128 7.691205 9.68206 10 9.77887 8.14829 10 9.709085 9.23537 10 10 8.69416 7.621155 9.07927 9.2726 8.57143 8.860555 6.94048 7.34125 7.76204 7.64319 9.06435 9.718525 9.45083 9.72817 9.69836 8.97308 6.82882 9.47294 8.89528 10 10 7.93858 7.83969 8.19134 9.5646 8.67845 8.04377 9.59534 10 10 7.69609 10 7.59731 10 10 10 10 9.8099 7.99486 363997 363997 6.565635 5.7319 5.893725 5.70122 5.75578 5.76314 5.77079 5.72223 6.506455 5.75232 5.74076 6.23214 5.93232 5.74613 6.33811 5.98709 5.98864 6.1263 6.28558 5.77696 6.22113 6.24428 6.13333 6.3704 6.20258 5.3522 6.10115 5.77769 6.050555 6.00153 5.82955 5.67058 6.58297 5.92539 6.40163 6.284645 5.3623 6.106995 5.62155 5.61701 5.74023 6.15527 5.64068 5.37878 5.517275 6.000805 6.180375 5.8345 5.79534 5.92134 6.40856 4.96077 6.13511 6.21264 NA NA 5.90206 6.66692 5.52858 5.77205 364170 SERGEOLIDE 7.42427 7.30563 6.89816 6.42808 7.267605 7.06697 6.823225 6.891825 6.272595 6.36328 6.52373 5.149665 7.37005 6.755335 7.19455 7.41301 6.96832 7.1045 6.661425 6.4942 7.49757 5.773875 7.27972 6.920015 6.6382 6.35609 6.38679 6.8352 6.53494 6.51283 7.093595 5.260645 7.3959 7.35053 7.47992 8 4.93504 6.29504 6.62536 5.95915 6.758445 6.635655 6.43283 6.26728 6.5034 6.87161 4.60215 5.949105 6.81263 7.592625 NA NA NA NA NA NA NA NA NA NA 365360 365360 6.50955 6.32759 5.901635 5.94966 5.90121 6.23631 5.99855 6.0754 7.22452 6.28782 5.72952 6.10446 6.3864 5.90966 6.64573 6.16328 6.19153 6.40412 6.29277 5.88999 6.65132 6.765 6.297275 6.43665 6.95761 4.927625 6.44284 5.90837 5.98267 6.21345 6.54843 5.87049 7.0821 6.48768 6.971945 6.38623 5.26952 6.64348 5.62655 5.25559 5.88042 5.94625 5.87585 5.43331 5.983335 6.593065 6.70274 5.97387 7.021235 6.57785 7.39502 4.73921 6.35733 6.293845 6.44707 6.625975 6.370475 7.05511 5.36972 6.051925 366140 Pyrazoloacridine T2-T2-T2-Db-In 6.75499 6.09569 6.101615 6.3719 5.99227 6.374275 6.60971 6.27546 6.73938 6.60971 6.17871 6.52215 6.76886 6.63408 6.433625 6.478625 6.474365 6.69896 6.503 6.443605 6.61759 6.89125 6.53336 7.20412 6.97465 6.72166 6.53419 6.266285 6.44452 6.6902 6.511235 6.36887 6.80832 6.65567 6.72561 6.84932 6.599415 6.91245 6.15754 6.57082 6.63812 7.17106 7.20412 6.494805 5.81781 6.482145 6.88037 6.219645 6.44368 6.57561 6.5568 6.679805 7.08318 6.50141 6.57927 6.33357 6.812575 6.828145 6.01725 6.216355 366241 Bispyridocarbazolium 6.2164 6.27851 4 5.77834 5.7245 5.35081 NA 5.88268 6.058245 6.43896 5.48092 6.12265 6.60296 4 6.51838 5.85892 NA 5.68798 5.704865 5.86259 5.70497 6.02206 5.31068 6.552595 6.50128 5.61693 6.25472 4 5.13711 6.393065 6.2629 4.543875 6.283525 6.56553 6.461615 NA 4 6.17957 4 6.092995 6.24454 NA NA NA 5.37048 NA 6.26258 4 6.14872 6.733625 6.275035 4.75661 NA NA NA NA NA NA NA NA 368390 DUP785-brequinar RO-anti-RNA-Rs-Ds-Nr 7.012605 4.7173 4.24016 6.025445 4.274685 4.33219 5.30897 6.74162 5.68278 6.570125 4.41729 4.237905 6.77327 6.61459 4.441995 5.94367 4.095465 6.650105 6.80305 6.90164 6.95128 6.42179 4.645325 7.08579 6.41149 7.30103 6.49457 5.63806 5.11752 6.66487 6.411945 4.1664 6.67233 6.967275 7.244195 6.36971 5.88314 5.82773 4.11638 6.50603 4.93075 6.944125 6.79082 4.23141 4.93957 4.57458 6.6854 4.042585 6.48854 6.56796 6.62721 5.79756 6.7825 6.453425 4.93628 4.680395 6.4308 6.53224 4.24132 4.43324 368697 Benz[a]anthracene-1 5.74423 6.26772 5.36999 5.57513 5.77168 5.70101 5.71801 5.6691 6.66523 4.76608 5.624255 4.88232 4.7794 4.6709 5.75907 4.79018 4.85701 5.41227 5.35442 4.9399 5.286195 5.55236 5.67777 5.9865 5.7903 5.779 4.88395 5.65945 5.82801 5.65807 5.4892 4.80699 6.55903 6.05132 6.5429 5.639695 5.73001 5.75593 5.05987 5.95205 5.78916 5.76012 5.77128 5.75872 5.83809 4.706725 6.62241 5.4874 6.38041 5.99699 5.73895 4.83416 5.3627 4.73443 5.52495 5.509245 5.73911 5.74008 5.930065 5.784735 371010 371010 6.27835 6.55029 6.3703 6.51136 6.09814 5.94053 6.56066 6.475 6.68043 6.30278 6.31461 6.61368 6.40042 6.59003 5.37963 6.408425 6.5859 6.40848 6.22564 6.67173 6.640885 6.52909 6.409645 6.37235 6.61035 6.43562 6.48283 6.70168 4.83151 6.35663 6.33022 6.423 6.43691 6.70477 6.4981 6.83849 5.900405 6.36687 6.51997 5.962105 6.62873 6.23691 6.11581 6.23602 6.33507 6.55933 6.68578 6.2884 6.71957 6.50238 6.340265 6.68881 6.48992 6.5 6.45485 6.563825 6.83571 6.78499 6.63472 4.12773 372146 1 5.68842 4.89002 5.654765 4.862605 5.41685 5.229935 5.265725 5.25176 5.78202 4.712635 4.85596 4.765355 4.96448 4.7264 5.333195 4.817135 5.007215 4.87934 5.23665 4.79967 5.189365 5.491965 5.39853 5.429165 5.392055 5.596075 5.546115 5.186895 4.77807 5.42705 4.89732 4.630625 5.563595 5.66877 5.64375 5.543375 4.756215 5.148925 4.7798 5.71873 5.5984 5.339355 5.06413 5.42959 4.918325 4.69477 5.3646 4.780525 5.69453 5.83915 5.44025 4.962605 4.83458 4.78321 4.85107 5.34771 4.98702 5.45602 5.47899 5.27136 372452 FERRUGININ 4.41373 4.32701 4.386175 4.422175 4.35692 4.4031 NA 4.35558 4.47176 4.38898 4.420575 4.41632 4.41764 4.36483 4.45544 4.39594 4.3104 4.43002 4.46641 4.32615 4.38043 4.39547 4.34202 4.4379 4.39964 4.43548 4.37108 4.40113 4.4072 4.39477 4.36534 4.426485 4.80143 4.44467 4.52812 NA 4.476895 4.421065 4.4334 4.34281 4.41839 NA NA NA 4.361835 4.3491 4.316735 4.28417 4.64877 4.54351 4.36668 4.336195 NA NA NA NA NA NA NA NA 372939 372939 5.392135 4.86422 4.332005 4.98823 4 5.23775 5.180205 5.20077 4.8641 5.30926 4.4525 5.087585 5.603475 4.813695 4.594605 4.66653 4.57304 5.052405 5.07091 4.911345 4.95838 5.217365 4.92953 5.64764 5.283345 4.401935 4.66899 4.680235 4.610705 5.129485 5.069555 4.042175 5.342625 6.04534 5.177785 5.375705 4 4.87028 4.416255 4.273965 4.439035 5.1347 4.461675 4 4.898765 4 4.83793 4.57529 5.39403 4.50298 4.97464 4 5.323005 4.5525 4.69951 4.02787 5.225725 5.14973 4.42241 4.49788 372944 372944 5.458065 4.81022 4.339235 5.062475 4.29391 5.13672 5.22781 5.199135 4.61216 5.403505 4.67681 5.16343 5.717495 4.69737 4.605205 4.369985 4.419875 5.22385 5.07917 5.10236 4.981905 5.34033 4.96061 5.75424 5.248205 4.43262 5.01791 4.35236 4.494715 5.21544 5.15067 4.016605 5.292715 6.123065 5.26379 5.34496 4.12146 4.566705 4.41308 4.219415 4.59061 5.28585 4.747105 4 4.857365 4.16598 4.85451 4.64674 5.43108 4.45323 4.91134 4 5.40391 4.66583 4.700535 4.388005 5.32779 5.22214 4.36642 4.30678 374551 Fenretinide 5.71515 5.30212 5.00248 5.419035 5.40693 5.64427 5.217765 5.67951 5.851195 5.16022 4.96433 5.11945 5.38498 5.201495 5.52566 5.164975 5.10861 5.357655 5.429705 5.57147 5.87449 5.61922 5.370305 5.340225 5.353015 5.16162 5.597245 5.623005 5.36292 5.512285 5.69345 5.047155 7.33333 5.54171 5.87678 5.62881 5.33897 5.65004 5.32499 5.242485 5.72544 5.589635 5.31911 4.84789 5.252855 5.46989 5.602185 4.81278 6.01964 5.86024 5.655275 5.56955 5.44007 5.0447 5.63269 5.57185 5.537505 5.54384 5.31142 5.54691 374979 374979 5.942895 5.80306 6.3309 6.31668 6.11902 5.7567 5.49921 6.066265 6.525465 5.43627 4.26418 5.541335 5.51105 5.45601 6.11007 5.633905 6.59548 5.42879 5.90469 5.62982 6.479455 5.631455 5.59896 5.826825 6.14696 4.478035 6.312895 6.42925 4.99679 5.45656 5.37984 4 6.265935 6.32418 5.90654 6.0156 4.030945 5.33954 5.293425 5.22636 5.16444 5.42604 4.59214 4.503785 6.10784 5.54459 6.037345 4 6.426095 5.86482 NA NA NA NA NA NA NA NA NA NA 374980 Acetamide 6.20818 6.32849 6.531415 6.622675 6.46613 6.396695 6.14055 6.428035 6.70371 5.354015 4 6.168845 5.52944 6.18562 6.429825 6.34328 6.61023 6.34905 6.327325 5.70897 6.604835 6.35827 6.43356 6.18461 5.97453 4.89681 6.3894 6.68938 4.5622 5.74526 6.064075 5.92743 6.458985 6.53313 5.91489 6.34914 4.12478 6.08709 5.387295 5.31824 5.87831 5.810905 4.9873 4.926115 6.08333 5.44774 5.785725 5.32742 6.69841 6.36214 6.908035 4.1159 5.668995 6.233655 6.29085 6.65808 6.74798 6.787565 6.6969 4 374998 1-Piperazinecarbothioic 6.87312 6.56466 5.71786 7.20735 6.01125 7.51272 7.28799 7.2906 6.92664 7.12977 6.53639 8.028245 7.26199 7.22252 5.39799 5.32981 5.56897 7.38796 7.37413 7.40972 5.9828 8.18175 6.442325 8.51633 6.37102 7.83017 6.91817 7.44354 6.68845 7.66052 8.56134 6.546005 8.27697 8.1418 7.76462 7.06427 5.72189 5.96196 5.57122 5.755 5.783165 7.22052 7.1591 5.57356 7.62936 6.98077 7.98589 8.35523 8.12392 7.66432 7.96607 7.746605 5.36037 5.59974 5 5.72761 5.54826 5.1588 5.3314 7.02072 375501 1-[7 6.30041 6.33217 6.27136 6.44464 5.26467 6.47413 6.53211 6.29768 6.26114 6.20426 5.40738 6.60509 6.35593 6.35395 6.11607 5.91773 6.43301 6.39143 5.71235 6.50585 6.609335 6.55699 5.872935 6.33584 6.45698 6.23974 6.57484 6.66476 5.73043 6.36227 6.26674 6.18838 6.22914 6.4758 5.8788 6.47786 5.71998 6.18639 6.48705 6.12758 6.65069 6.29089 5.86412 6.25344 6.24973 6.31867 6.58226 6.17011 6.449785 5.95036 6.62964 6.6395 6.40494 6.36206 6.21644 6.35174 6.89205 6.79549 6.28797 4.2 375503 375503 5.25824 5.16024 5.36174 5.45269 5.16958 5.38888 5.54798 5.3529 5.35395 5.21376 4.99304 5.18462 5.31696 5.13626 4.99854 5.119175 5.63774 5.49874 5.26214 5.47212 5.51283 5.46288 4.91272 5.32041 5.45823 5.46448 5.46971 5.65487 5.00743 5.121595 5.08 5.38873 5.37794 5.40986 5.31761 5.526 5.082905 5.24443 5.2527 5.09188 5.43733 5.31089 5.18819 5.48006 5.35841 5.38875 5.41245 5.13514 5.39586 5.37057 5.25424 5.44643 5.30176 5.342 5.25222 5.517445 5.7498 5.79105 5.420695 5.00159 375504 375504 5.34157 5.32266 5.30342 5.59477 5.02373 5.57111 5.48186 5.37856 5.689175 5.23259 5.27867 5.28123 5.27976 5.30508 4.97527 5.390645 5.60323 5.34811 5.06978 5.4807 5.36646 5.62813 4.96953 5.35962 5.39973 5.46341 5.46836 5.67627 4.76521 5.19727 5.23991 5.56725 5.49492 5.64473 5.42296 5.63965 5.02239 5.31757 5.19396 5.1168 5.56613 5.21242 4.91272 5.29655 5.33399 5.5244 5.51423 5.18896 5.61247 5.40094 5.29543 5.51998 5.4656 5.48689 5.62994 5.699495 5.8256 5.71202 5.48721 4.91823 375575 Cyclopentenylcytosine 7.26029 5.97896 5.00122 5.98159 6.551335 6.9648 6.78269 6.16351 7.248235 7.421905 5.44807 5.94816 7.32886 7.081215 6.91421 6.11286 5.99305 6.491915 6.52787 6.45353 6.46683 6.88942 5.44966 7.462845 7.30144 7.41902 7.17665 6.047665 7.253975 7.32634 7.27551 6.41955 7.441015 7.634415 7.59697 8.024185 7.40105 7.44552 7.0636 7.049645 6.212015 7.255985 7.296185 5.945915 5.69792 6.33662 7.529615 7.10114 8.25877 7.67408 7.94808 7.66409 7.28626 7.427275 6.24783 5.28407 7.42325 7.343365 5 6.501485 376128 Dolastatin-10 TU-TU-Tu 9.46744 9.556235 9.86686 10.140805 9.40343 9.39299 9.54391 9.41605 9.88483 9.58517 9.345225 9.629835 9.918135 9.42366 8.991865 9.241215 9.53097 9.40405 9.25098 9.637445 9.57381 10.41775 9.41914 9.66765 9.718245 9.27939 10.35187 10.10561 8.931315 9.352495 8.99453 9.67338 9.61027 9.940065 9.435395 10.39973 8.1525 9.30591 9.514045 9.61565 9.50149 9.391055 9.1665 8.630255 9.618105 9.57971 9.83628 9.22508 10.18281 9.48221 NA NA NA NA NA NA NA NA NA NA 376739 5 6.964565 6.94585 6.21587 6.848885 6.14628 6.95316 6.40397 6.76114 6.65282 7.01036 5.74699 6.24288 8 7.835725 6.85858 6.95115 6.73193 7.23985 6.70263 6.8252 7.445835 6.39688 6.25044 7.257345 6.96636 6.47534 6.4066 6.21727 6.0187 6.57051 6.47793 6.44359 7.50599 6.72333 8 8 6.302 6.8753 6.67727 6.67369 6.67565 6.77146 7.08362 5.92966 6.23146 7.64205 NA 6.3319 7.78083 6.80349 8 5.94831 6.56289 7.53119 6.24823 NA 6.07853 6.24964 6.55545 6.54444 378734 B712496K647 8.31325 6.89747 7.84877 8.12278 7.5344 7.51945 7.80225 7.09593 6.23673 8.07783 7.50641 6.216205 7.995065 8.82544 7.95089 6.99697 9.55423 8.1287 7.73146 9.4871 8.99652 7.20375 6.838045 7.2205 7.90959 6.99436 7.07037 6.31944 6 6.05279 6.58683 7.69678 7.932925 7.64768 8.56437 8.593265 7.21776 6 8.05389 7.48124 9.21324 8.55134 6.76692 6 7.40638 7.64807 7.21769 6 8.42605 8.842695 NA NA NA NA NA NA NA NA NA NA 378736 B712496K649 7.254185 6.782945 7.023255 7.07174 7.14878 6.838645 7.32702 7.28933 8.04524 7.03501 6.793205 6 7.40756 7.588345 7.29695 6.603985 8.156475 7.602235 7.238865 8.13617 8.03616 7.13984 6.15838 6.921895 7.24899 6.7483 7.06484 6 6.10398 6 6.7196 7.308095 7.70803 7.39603 7.65347 7.56349 7.39954 6 7.66491 6.824595 8.19429 7.69318 6.97014 6 6.84339 7.40804 6.72393 6.553045 7.53456 8.09806 NA NA NA NA NA NA NA NA NA NA 382000 382000 5.285665 5.200815 4.745645 4.83437 5.254935 4.74674 5.06599 4.84741 5.533415 4.549445 4.89022 4.71437 4.72872 4.73791 5.52184 4.598775 4.79438 4.730555 4.82778 4.78974 4.85974 5.02733 4.76072 5.319735 5.56371 5.33986 4.798345 5.064705 4.82305 4.74147 5.02669 4.69767 6.21338 5.63254 5.73325 5.83929 4.85259 4.871985 4.73813 5.46119 5.51918 5.317 5.071885 5.03922 4.86301 4.615285 5.649 4.706155 6.392645 5.87162 5.481775 5.154635 4.85236 4.76612 4.87602 4.583545 5.22607 5.342135 5.444755 5.48018 382001 382001 5.32227 5.711185 4.7597 4.893985 4.898475 4.83284 5.702625 4.97902 5.957805 4.70955 4.53044 4.73097 4.709335 4.75627 5.63618 4.722475 4.729785 4.79153 4.65164 4.77751 4.885825 4.81105 4.74852 5.33806 5.794795 5.44044 4.77521 5.42038 5.026895 4.744085 4.757155 4.72568 6.551695 6.245375 6.50576 6.149835 5.170115 4.82134 4.72782 5.279345 5.585175 5.4768 5.456555 4.913675 5.12498 4.713515 5.782665 4.742785 6.7373 5.81338 5.52923 4.737925 4.850875 4.7613 5.053815 4.54241 5.073 5.164635 4.991995 5.38578 382003 382003 4.76947 4.91052 4.73742 4.76678 4.69449 4.75662 4.87574 4.73821 5.77935 4 4.61861 4 4.62311 4.276555 4.80301 4.4424 4.6553 4.56072 4.60112 4 4.76 4.68404 4.67577 4.81447 5.33602 4.74941 4.53885 4.796205 4.69235 4.68663 4.64209 4.15694 5.63137 5.41303 5.62372 4.89478 4.78615 4.74628 4.546965 4.87972 4.99331 4.77287 4.87177 4.77576 4.81682 4.63285 5.31555 4.73318 5.57614 5.277065 NA 4.68369 4.75616 4.346625 4.8426 4.68284 4.71035 4.73865 4.75916 4.82385 382005 382005 4.80683 5.43866 4.76343 4.80176 4.77433 4.78154 4.94769 4.74621 5.71496 4.18311 4.67684 4 4.47378 4 4.97137 4.26523 4.51283 4.45296 4.63042 4 4.83662 4.69345 4.50123 4.82924 5.46962 4.81126 4.60244 4.874285 4.74307 4.73604 4.75985 4.50371 5.54583 5.33832 5.6361 4.79023 4.76843 4.75027 4.685565 4.85622 4.99128 4.79469 4.95173 4.84056 4.83842 4.377075 5.57909 4.75013 5.582235 5.434 NA 4.66668 4.74384 4.561665 4.84801 4.58645 4.75867 4.74413 4.83268 4.93674 382006 382006 4.93938 5.82199 4.78452 4.9765 5.883655 4.88683 5.72084 5.43643 5.78849 4.70478 4.78189 4.574585 4.74141 4.767645 5.80649 4.69163 4.86347 4.7742 4.818805 4.76005 5.64261 5.25216 4.75772 5.7551 5.9412 5.526725 4.76387 5.661985 5.50999 5.27499 4.75675 4.78091 6.16558 5.63081 6.08477 5.6391 5.72293 5.22422 4.779625 5.61295 5.76852 5.61884 5.76394 5.5645 5.62894 4.76799 6.10398 4.88641 6.28542 5.473925 NA 5.29667 4.92905 4.79707 5.23643 5.08036 5.22711 5.44461 5.62294 5.715 382011 382011 4.80118 5.617855 4.76993 4.79075 4.78308 4.73231 5.60684 4.83746 5.76675 4.63614 4.67682 4.403255 4.75568 4.48348 5.64634 4.54809 4.80376 4.73635 4.609845 4.74743 4.80404 4.74676 4.75871 5.35186 5.80501 4.76092 4.74452 5.43956 4.716 4.72868 4.72855 4.64832 6.39699 5.65753 5.70173 5.45019 5.11243 4.82442 4.68361 5.52739 5.67518 5.38768 5.60086 5.25164 4.95099 4.73906 5.79287 4.77834 6.43197 5.4478 NA 4.49507 4.79474 4.78124 4.82089 4.58153 4.85139 4.84937 4.9493 5.6484 382034 2 6.360165 4.60636 4.68105 6.17159 4.154405 6.12661 6.288935 6.36371 5.72586 6.685985 4.966085 6.01131 6.89889 5.691905 5.13197 4.922275 4.899125 6.22657 6.19981 6.18985 5.986265 6.397115 5.48936 6.54113 6.333595 6.421535 5.523935 4.851455 4.724005 6.19254 6.069805 4.49357 6.25106 7.23295 6.094885 6.466545 5.217925 5.883905 5.23039 6.116005 4.775465 6.22669 6.20123 4.52552 4.73346 4.562075 5.09486 4.80105 6.62018 5.45491 5.628945 6.02203 6.301285 5.557 4.64339 4.646445 6.21745 6.39357 4.604995 4.78735 382035 2 8 5.65418 4.971955 7.712665 4.97264 6.987375 7.15791 7.73667 5.94068 8 5.73161 6.61926 8 6.594485 5.83687 6.15437 5.52159 7.389585 5.8125 7.42003 6.662215 7.651195 6.6605 8 7.84599 8 6.31633 6.06146 5.364405 7.18208 6.79467 4.94899 7.718565 8 7.06153 7.822445 6.14474 5.83641 6.57257 6.913845 5.506695 7.831935 7.392205 5.096025 5.407145 5.438655 6.201835 4.94039 8 6.54551 6.454755 6.548795 7.606535 6.76149 4.88595 4.813495 7.70138 7.79436 5.23009 5.54849 382049 2 6.606325 5.62363 4.969315 6.281815 5.69191 6.11972 6.289465 6.66833 6.25246 6.87379 5.5019 5.513125 7.094425 5.745465 5.6705 5.576295 5.34167 6.23006 6.0708 6.406405 6.039965 6.52818 6.070075 7.044475 6.700735 6.85191 5.71465 5.819945 5.51169 6.264055 6.228735 4.836735 6.37816 7.62529 6.191295 6.483745 5.41543 5.8757 5.528735 6.30075 5.51706 6.55442 6.215595 5.06323 5.7302 5.20521 5.97508 4.74769 6.84375 5.81862 5.80257 6.125055 6.526435 6.11602 5.047295 4.962325 6.280005 6.36824 5.324175 5.58121 382053 382053 5.216575 4.70968 4.63081 5.13354 4.566005 4.79899 5.15841 5.220945 5.223345 5.37016 4.688285 4.781295 5.48491 4.66825 4.33185 4.63343 4.644435 5.09332 5.07699 5.112365 4.70744 5.334345 4.861315 5.420565 5.18731 5.45468 4.68444 4.60299 4.639195 5.23954 5.308725 4.24141 5.15837 5.62121 5.100995 5.2587 4.65689 4.668085 4.701 4.960935 4.692 5.224235 5.153235 4.41861 4.71492 4.37522 4.876765 4 5.52043 4.68968 4.57489 4.79471 5.154095 4.80467 4.719345 4.473355 5.24222 5.185165 4.69049 4.66713 382054 1H-Benzotriazolium 5.86188 4.97118 4.844255 5.533835 4.936035 5.56007 5.839255 5.80445 5.548475 6.27274 4.93221 5.34962 6.3773 5.23472 5.02602 4.929075 4.701625 5.418 5.1593 5.674875 5.40393 5.902245 5.445815 6.24736 6.06571 6.133705 5.14516 5.035295 4.88735 5.56348 5.6508 4.33259 5.804415 6.49549 5.549905 5.62648 4.95249 4.99227 5.058105 5.321165 4.95885 5.862655 5.661135 4.85363 4.9437 4.87053 5.04507 4.90466 6.15722 5.04084 5.38748 5.47445 6.07046 5.25515 4.932655 4.7291 6.07084 6.198255 4.93555 4.90972 383031 Rutacridone 7.9554 4.89626 6.05229 5.75479 5.54756 5.69002 5.84078 5.70448 5.55628 5.25956 5.47054 4.96433 5.45397 5.50742 4.91294 4.98572 5.26394 5.49887 6.02477 4.86437 5.4572 5.40441 5.746355 5.97091 5.95445 5.34538 5.60704 5.47265 5.23067 5.95342 5.20772 5.33573 7.31806 6.52903 7.26217 6.95526 5.81631 5.9016 4.94918 5.52366 5.88423 5.72322 5.61235 5.0167 5.39459 4.95262 5.4412 5.3598 7.0097 5.57852 6.33541 5.8805 5.47205 4.97021 5.69214 5.69817 5.78489 5.85912 5.77832 4.94092 383482 B826538K051 5.70903 5.1789 5.28941 5.12946 5.227845 5.47054 NA 5.478935 5.85312 5.09846 5.23311 5.0887 5.63562 4.91965 5.655515 4.95247 5.02957 4.97841 5.168095 5.040945 5.54979 5.27926 5.59458 5.62867 5.67102 5.47805 5.16455 5.508265 5.11188 5.56056 5.128885 4.83159 5.7855 5.30915 5.83363 NA 5.003605 5.121675 5.40847 5.54151 5.79632 NA NA NA 5.14482 5.592685 5.60929 5.0521 5.82178 5.79286 5.13847 5.598245 NA NA NA NA NA NA NA NA 403170 403170 6.29927 6.26227 6.61106 6.6555 6.37604 6.25239 6.29067 6.41858 6.476115 5.4758 4.5119 5.82267 6.24935 5.42172 6.55882 6.31203 6.568975 6.45405 6.10811 5.95068 6.383765 6.48426 6.42236 6.406015 6.42981 5.28552 6.42573 6.52547 4.575 5.56078 6.35317 6.24275 6.57416 6.480435 6.25657 6.38412 4.40248 5.96415 5.94228 5.78028 5.87801 5.76267 5.10292 5.1209 6.287865 5.68906 6.53782 5.93274 6.61522 6.389385 6.51944 4.09375 6.26045 6.14483 5.84903 6.563605 7.1319 6.98179 5.27163 4 404241 9-.beta.-D-Arabinofuranosyl-9H- 4.07366 3.46412 3.34679 3.34679 3.44323 3.59473 NA 3.65253 3.69712 3.7437 4.59101 3.467825 4.76793 4.031315 3.60922 3.60639 4.01134 3.53859 3.68369 3.72689 3.77246 3.49648 4.36166 3.980875 3.81976 3.649965 3.387535 3.34679 3.34679 4.059805 3.34679 3.54628 4.360755 3.38831 3.75061 NA 3.396055 3.899345 3.80563 3.433695 3.96072 NA NA NA 3.34679 3.44719 3.34679 3.55049 3.946295 3.434745 4.2473 3.98439 NA NA NA NA NA NA NA NA 405647 Coumarin 4.208305 3.77185 3.765245 3.83523 3.797445 3.779505 NA 4.05616 4.08126 4.06559 4.07987 3.83003 4.480205 3.880385 3.64152 3.88582 3.90406 4.10462 4.02277 4.01356 3.98109 3.65061 4.02272 3.913965 3.82663 4.3716 3.73965 4.092795 3.995095 3.94321 3.874075 3.75386 4.49218 3.812995 4.2452 NA 3.94281 4.050205 3.95098 3.77296 3.89445 NA NA NA 3.83817 3.96857 3.766675 3.8571 4.50028 4.12612 3.82001 3.99922 NA NA NA NA NA NA NA NA 407335 407335 6.38145 4.476755 4 5.68621 4.58613 5.64943 5.71732 6.437805 5.336645 6.89983 4.40248 4.91274 8 6.69648 5.8038 6.03315 5.34242 5.37802 7.11142 6.4695 7.382345 4.475 8 5.642255 4 4.65063 4 4.62429 4.197935 6.23181 4 4.175 6.70225 4.85364 5.945365 6.1572 6.12401 5.95031 7.46328 6.1231 4.65972 6.32984 7.15946 4.67906 4.32628 4.20656 4.50567 4 5.36925 4.55394 6.6569 5.8297 5.12322 5.95334 4 5.11522 4.66314 4.65965 5.25977 5.22917 409962 Carmustine (BCNU) AC-ALK-A6-C2-Ca 4.40145 4.0578 4.074825 4.098515 4.07481 4.0603 4.11591 4.6864 4.21775 3.99513 3.970805 3.77866 4.24084 4.0019 4.15819 4.18994 4.22387 4.26858 4.39397 4.3206 4.30183 4.071725 4.01208 4.1372 4.2472 4.166505 4.06488 4.05267 4.06825 4.075695 4.120355 3.97008 4.756625 4.33787 4.51698 4.82159 3.991605 4.117915 3.96246 4.13681 4.10409 4.405295 4.086635 4.04157 4.09841 4.00409 4.12606 3.99212 4.842675 4.24068 4.07802 4.02138 3.9817 3.69171 4.03743 3.9835 4.07794 4.09326 4.093075 3.93558 521777 19-Norlanosta-1 6.50164 6.38707 6.50789 6.26423 6.51537 5.39892 6.36114 6.04414 6.31646 6.39052 5.60254 5 6.39185 5.626285 6.33529 5.68041 6.107 6.49823 6.44746 5.96281 6.53529 6.42044 6.28936 6.29139 6.29824 6.30215 5.5972 6.28984 6.30109 5.53677 6.22738 6.223935 6.40677 5.99168 5.41721 6.32704 5.83855 6.06578 6.61773 6.63492 6.56764 6.43864 6.33499 5.78444 6.45214 6.3816 6.10631 5.24802 6.129925 6.35175 NA NA NA NA NA NA NA NA NA NA 526417 Echinomycin 9.699385 9.447315 9.66106 9.3259 9.428045 9.345855 9.100455 9.65039 9.915845 8.56839 8.69998 8.91294 9.21209 8.85979 9.55328 8.67375 10.00195 9.561065 9.334945 8.97383 9.48759 9.14854 8.848805 9.46524 9.38048 8.25939 9.240215 9.203155 8.682285 9.148345 9.265675 8.51469 9.72207 9.647315 9.571485 9.37167 8.7659 9.25422 9.34608 8.97084 9.25039 9.32869 8.812765 8.65783 9.1408 9.27219 9.4594 8.71174 9.37292 9.50135 9.53638 7.36574 8.97437 8.627295 8.90677 9.68013 8.669385 9.45109 9.35699 9.49483 600032 B8173373K297 7.789715 6.0913 7.87903 8 4.99774 7.69993 7.46496 8 8 6.81883 5.12167 7.15075 7.95645 7.6321 7.100085 7.610305 5.34797 7.36822 7.13346 7.588925 8 4.88111 6.708375 7.34481 7.52494 8 7.42444 8 4.95955 7.86708 6.62097 7.03111 6.41179 6.47806 6.34118 5.68469 5.27778 6.47562 6.645315 6.90975 7.35238 5.78022 6.629155 5.21205 7.97303 6.77447 4.96314 5.11977 8 6.86674 8 7.26753 8 8 7.93182 8 8 8 7.65126 4.30201 600060 Hydrazinecarbodithioic 5.94656 6.05 5.45904 6.21531 5.7936 6.05827 6.41971 6.36972 7.15682 6.2843 5.88674 5.641 6.32143 6.09155 5.958005 5.38352 5.75072 6.09471 6.11035 5.94652 5.92969 6.76705 5.58225 6.74685 6.67947 6.47517 5.64853 7.50575 6.32385 6.01361 5.69576 5.96106 7.9409 7.64445 6.911345 6.63811 5.70206 5.9825 5.64852 5.9055 6.000835 6.52592 6.57922 6.12351 6.05294 5.96279 7.15759 5.19444 7.02496 7.1658 6.49359 5.95262 6.58064 6.16243 5.73247 4.72673 5.870445 6.01382 5.284975 5.51405 600285 6 4.491305 4.84429 4.26596 4.39445 4.99236 4.63012 NA 4.96474 5.18589 4.01816 4.84804 4.228075 4.85678 4.0576 4.91629 4.57905 4.57609 4.82702 4.831895 4.57687 4.608725 4.34281 4.13032 4.975765 5.04368 5.04354 4.408895 4.960235 4.955845 4.884435 4.866195 3.997995 5.612575 5.01624 5.107855 NA 4.24621 4.51033 4.19299 4.803445 5.045585 NA NA NA 4.639125 4.218525 4.99195 3.95198 5.9674 5.012525 4.37935 4.960325 NA NA NA NA NA NA NA NA 600286 6 4.91674 4.63498 4.7521 4.80777 4.86953 4.77106 NA 4.89589 5.37039 4.03009 4.789835 4.194845 4.56421 3.75215 4.812675 4.39542 4.76763 4.701425 4.924245 4.59114 4.72325 4.554325 4.55447 4.88509 5.02571 4.839775 4.606 4.854905 4.8612 4.83932 4.83074 3.80279 5.6397 4.9155 5.37547 NA 4.80143 4.67484 4.066275 4.825895 4.883705 NA NA NA 4.69437 4.248525 4.917145 4.01711 5.82636 5.163205 4.67087 4.82758 NA NA NA NA NA NA NA NA 600287 6 4.7815 4.633675 4.594845 4.56626 4.628475 4.581485 NA 4.729985 5.65012 4.84278 4.564855 4.705125 4.80973 4.53721 5.002215 4.93118 5.17987 5.17829 4.88958 4.860105 4.64154 4.48908 4.65449 4.647715 4.707 4.687115 4.904365 4.695235 4.8089 4.66668 4.58542 4.395035 5.519595 4.87612 5.272425 NA 4.70567 4.74 4.5383 4.619415 4.684355 NA NA NA 4.63229 4.616855 4.62922 4.54142 5.56667 5.28429 4.5447 4.46797 NA NA NA NA NA NA NA NA 600288 6 4.72876 4.64769 4.57293 4.74115 4.68087 4.639235 NA 4.73547 5.63136 4.70411 4.618905 4.387835 4.751985 4.401935 4.69897 4.50159 4.89108 4.973325 4.95519 4.566065 4.62464 4.490535 4.88634 4.67496 4.72302 4.71269 4.632275 4.67763 4.72942 4.56574 4.682775 4.345995 5.40485 4.72795 5.19304 NA 4.659575 4.69033 4.48302 4.66474 4.69143 NA NA NA 4.6617 4.57849 4.705415 4.41978 5.574585 4.936565 4.62445 4.618415 NA NA NA NA NA NA NA NA 600289 6 4.868505 4.62185 4.48317 4.6805 4.514 4.478185 NA 4.70349 5.578065 4.8848 4.54673 4.59442 4.583585 4.50372 4.987885 4.86621 5.10911 5.109805 4.823135 4.832 4.57316 4.37388 4.479115 4.53873 5.17972 4.91292 4.59549 4.601205 4.62769 4.66827 4.483695 4.37343 5.35677 5.06593 5.25925 NA 4.513985 4.58092 4.64023 4.644475 4.62767 NA NA NA 4.62732 4.55035 4.68353 4.46713 5.457115 5.058675 4.49078 4.429975 NA NA NA NA NA NA NA NA 600290 4' 4.43134 4.78006 4.71413 4.80274 4.79029 4.77469 NA 4.94197 5.59768 4.474725 4.76567 4.60138 4.76761 4.50222 4.80559 4.48222 5.21929 4.86916 4.841505 4.56261 4.894205 4.263225 4.58773 4.750255 4.74315 4.753425 4.586305 4.75071 4.80758 4.71878 4.808995 4.601625 5.161 4.75835 4.74874 NA 4.67759 4.62876 4.58185 4.71776 4.7584 NA NA NA 4.738345 4.68278 4.73127 4.17697 5.501485 4.86121 4.65846 4.672 NA NA NA NA NA NA NA NA 600291 3' 4.891185 3.89215 3.92405 4.327 3.90179 4.16936 NA 4.012595 4.195575 4.16416 3.765235 3.920575 4.20938 3.69897 4.283215 3.87878 4.35659 4.19377 3.96668 4.22119 3.93382 4.0547 4.273495 4.22337 4.117205 4.200405 3.964805 4.179225 4.08244 3.91056 3.895635 3.69897 4.43514 4.21052 4.48768 NA 4.1875 3.982665 4.4149 3.9545 4.488245 NA NA NA 3.772045 4.07167 4.20671 3.8854 4.649545 4.558485 4.09903 3.935665 NA NA NA NA NA NA NA NA 600681 600681 5.189375 5.307915 4.77795 5.49203 5.12019 5.47049 NA 5.168105 5.481625 4.94882 4.91384 4.963815 5.47951 4.79779 5.60899 4.94003 5.30098 5.112025 4.8608 5.16813 4.95602 5.39428 5.4209 5.332835 5.55046 5.32957 5.24505 5.17975 5.21761 4.858025 5.03441 5.007015 5.38172 5.633885 5.377055 NA 5.44398 4.98094 5.27953 5.214625 5.458055 NA NA NA 5.367665 4.90325 5.43595 4.84066 5.81969 5.572245 5.33495 5.21379 NA NA NA NA NA NA NA NA 601422 Quinocarcin 5.64626 5.371305 5.70323 5.41691 5.38985 5.61158 5 5.722855 6.19587 5 5 5.01741 5 5.46245 5.60019 5.47123 5.64925 5.72095 5.63904 5.158065 5.6147 5.44274 5.54783 5.26299 5.59062 5.69432 5.38886 5.66093 5 5.64068 5.339445 5.09185 5.660595 5.57598 5.57024 5.573305 5.58635 5.551385 5.34649 5.71793 5.66815 5.75493 5.22748 5.321 5.48222 5.684835 5.7234 5.48378 5.5987 5.53886 6.52931 6.73481 NA 7.37374 6.68858 7.11447 7.27309 6.77044 6.93701 6.61642 602313 602313 5.701925 4 4.479385 5.429725 4.40501 5.33372 5.503165 5.716635 5.215315 6.24282 5.131385 5.231865 6.28027 5.04204 4.76639 4.896985 4.52174 5.3765 5.13499 5.57944 5.356735 5.678375 5.06755 6.15906 5.74483 5.82317 5.077985 4.877005 4.264925 5.26033 5.266855 4.549825 5.540875 6.44722 5.33865 5.605745 5.12216 4.980785 4.543085 5.301065 4.891975 5.61146 5.384655 4.704195 4.495625 4.57915 4.83623 4.58683 6.01136 5.0373 5.366095 5.07908 5.55292 5.01784 4.42449 4.52289 5.621815 5.47395 4.74474 4.4049 602341 602341 5.277435 5.32711 5.01958 5.557915 5.013525 5.398225 5.43758 5.334755 5.665325 5.353495 4.791405 5.35979 5.412905 5.35047 5.21949 5.25838 5.371845 5.41525 5.04122 5.529125 5.56462 5.54134 5.356645 5.464185 5.483705 5.470355 5.42252 5.57081 4.933475 5.29025 5.34388 5.38911 5.53547 5.45949 5.27671 5.363945 5.23159 5.26008 5.49705 6.7641 5.36077 5.366565 5.14672 5.112685 5.13732 5.43406 5.655245 5.11338 5.50027 5.38721 5.363375 5.65533 5.47556 5.398445 5.32114 5.60109 5.85533 5.813725 5.07939 5.417745 602617 Benzo[g]quinoxaline-5 5.78019 6.87208 5.98698 6.95124 5.72611 6.50257 6.09235 6.24892 5.62316 5.94977 4.94425 5.80224 5.99451 5.52976 4.78007 5.25983 5.56415 5.11433 5.16881 5.862565 5.52282 5.68381 5.22612 5.50842 5.55496 5.65261 5.28736 5.57251 5.47952 5.25718 5.35743 4.61314 5.21875 5.25337 4.72344 4.89842 5.10266 5.67984 5.576615 4.564595 4.775545 5.23648 5.0517 4.70194 5.84129 5.369335 5.747695 5.65599 5.26537 4.958655 5.86697 5.43406 5.48109 5.8876 5.07506 5.66973 6.6789 6.66019 5.86931 5.52453 602668 Carmethizole 3.98807 3.78425 3.81724 3.82883 3.73634 3.92992 3.80836 3.90848 4.26124 3.65826 3.67774 3.69959 4.25253 3.843245 3.86835 3.644615 3.76474 3.79682 3.980355 3.75746 3.80811 3.68781 3.823615 3.76932 3.78358 3.759675 3.73538 3.717155 3.78584 3.76848 3.75533 3.74875 4.36251 3.75375 4.5005 4.25583 3.72084 3.9841 3.765565 4.06359 4.47287 3.766295 4.28571 3.65975 3.76102 3.75756 3.83049 3.784 4.409915 4.13596 3.993635 3.747915 3.74474 4.125555 3.73311 3.72127 3.79031 3.785395 3.9149 3.778025 603084 603084 5.58881 5.57164 4.70018 4.97631 5.14711 5.40382 5.47904 5.20024 5.6914 4.81588 4.90738 4.72939 4.879225 4.84919 5.70863 4.7361 4.80342 5.30829 5.12858 4.74132 5.1615 5.71925 4.74581 5.78862 5.62395 5.46074 4.9769 5.35532 4.99817 5.52115 4.91926 4.6624 5.89007 5.97851 5.88999 6.04613 5.60429 5.40241 4.71131 5.59296 5.62715 5.62112 5.21624 5.33102 5.07623 4.67168 5.7832 4.84083 6.25863 5.90223 5.35619 5.37933 4.85059 4.78354 5.53259 5.22337 5.16263 5.41281 5.5728 4.82627 603553 603553 5.47976 5.7695 5.479975 4.95981 5.641065 5.095955 5.74118 4.87938 6.75867 4.70796 4.75518 4.749985 4.789615 4.65827 5.8779 4.72382 4.7589 4.86426 5.38933 4.69909 5.473585 5.385415 4.83767 5.93428 6.228875 5.600415 4.803365 5.686545 5.35621 5.64734 4.71874 4.75647 6.80052 6.217295 6.30718 6.29644 5.87107 5.70187 4.79675 5.68232 5.000185 5.78729 5.988925 5.65302 5.289825 5.12762 6.39789 4.784115 6.69371 5.845825 5.55718 5.080305 4.81741 5.304445 4.86906 4.81128 4.980395 5.12716 5.18295 6.0545 603555 603555 5.1363 5.63133 4.85104 5.056645 4.94826 5.1161 5.78206 5.29748 5.79179 4.697035 4.722525 4.72674 4.7133 4.75782 5.69812 4.81762 4.774495 4.850445 4.86168 4.79578 5.70375 4.95447 4.78081 5.64061 5.875665 5.536165 4.87486 5.24978 5.20278 5.432075 4.82365 4.664165 6.663815 5.779635 6.38105 6.130205 5.529625 5.230975 4.752265 5.59529 5.617415 5.67359 5.66021 5.17531 4.92126 4.80885 5.843415 5.08142 6.157955 6.07547 5.48133 5.17147 5.39997 4.81687 5.235855 5.058555 5.414215 5.51954 5.2091 5.56752 603578 Platinum 5.12747 5.5497 4.80392 5.56858 5.05712 5.39988 5.22939 5.50205 5.75558 5.38422 4.48833 4.91546 6.23493 5.24574 4.66488 4.88868 5.11153 4.91691 5.59455 5.28806 5.36888 5.29665 5.16877 5.05721 5.79282 5.07294 4.73385 5.23885 4.81037 4.9263 4.71014 4.83796 6.07967 5.48117 5.88731 5.4632 4.95115 5.22645 4.81066 5.39479 5.445225 5.59125 5.34861 4.95411 4.84466 5.34784 4.97276 5.10684 6.68694 5.65126 5.52735 4.82465 4.63963 5.29915 4.22062 4 4.85641 4.79872 4.78356 4.83621 604574 2-(4-Iodobenzyl)ellipticine 5.66517 6.211215 6.201395 6.29363 5.935235 6.16538 NA 5.94898 6.22108 6.087485 5.977625 5.92795 6.32845 6.09981 6.32188 6.451065 7.063345 6.66809 6.39849 6.62175 5.796465 6.075375 6.04247 6.162485 6.01049 5.070985 6.354485 6.119765 6.26263 6.14376 6.0017 5.370695 6.29296 6.18687 6.16364 NA 5.58547 6.180685 6.10845 6.123715 6.04933 NA NA NA 6.18608 6.25352 6.21226 5.89921 6.336495 6.28584 6.11548 4.60206 NA NA NA NA NA NA NA NA 605440 605440 6.4592 6.09214 5.77188 5.81652 5.76304 5.878935 6.171995 5.793905 6.701705 5.559355 5.549545 5.58236 5.576165 5.66609 5.78036 5.660885 5.777325 5.748475 5.76596 5.71649 5.69006 5.819475 5.72347 6.62405 6.495585 6.53174 5.79573 5.892255 5.761765 6.489255 5.750775 5.40402 7.4541 6.43416 6.632975 6.66616 6.01775 5.77539 5.69313 6.19653 5.83398 6.43661 6.374555 6.117115 5.63695 5.71391 6.35528 5.66418 6.658325 6.55266 6.412645 5.961965 5.697375 6.265825 5.55567 5.50914 5.739545 6.101 5.614595 6.775855 605583 Miltefosin 4.59538 4.64065 4.83206 4.72835 4.5706 4.59835 4.76698 4.83263 4.81006 4.75415 4.6459 4.731355 5.24566 4.873625 5.51996 4.84121 4.73127 4.863135 4.71891 4.89325 4.6598 5.11385 5.20591 4.81782 4.62412 4.92437 5.552015 4.7732 4.789055 4.6655 5.52376 4.91492 5.10534 4.46792 4.925555 5.22286 4.725695 4.74714 4.7752 4.967105 5.18206 4.85264 4.82251 5.7033 4.61524 4.70727 5.2469 5.269885 5.40341 5.2818 4.647255 4.350665 5.80775 4.68615 4.66576 4.68907 4.77887 4.58687 5.28346 4.73866 606172 "CPT,11-formyl (RS)" T1-T1-T1 6.30135 5.44353 4.84646 5.69798 4.63039 5.71895 5.94571 6.39569 5.57015 5.54933 4.77585 5.09745 6.30268 6.63278 5.04356 5.51533 5.97095 6.26776 6.4085 5.490685 6.30275 5.3058 5.33521 5.8822 5.98799 5.216305 4.0626 5.29139 5.46068 5.79389 5.12955 5.68548 7.30815 5.68115 6.91243 7.886575 5.65811 6.35906 5.38306 5.76249 5.657815 6.24493 6.18649 4.37998 5.23595 5.80054 4.95075 5.33625 5.899 5.5655 6.72754 5.87629 5.29931 6.30961 4.71276 4.56866 5.2293 5.4084 5.34111 6.38462 606194 Annonacin 5.96376 5.63249 5.63825 8 5.4856 8 5.53591 5.871405 5.90119 5.90933 6.227395 5.48422 5.682965 5.63765 5.83368 5.53258 5.58559 5.57201 5.729765 8 5.469775 5.62654 5.46473 6.83295 5.4963 5.61458 5.48072 5.83913 5.674435 5.549005 5.70399 5.44849 5.829575 6.370425 5.9933 5.95565 5.8835 5.35802 5.46648 5.64103 NA 5.53837 5.56304 5.45489 7.84656 5.506585 5.76694 5.387345 7.113455 5.91966 5.78419 5.903895 5.61398 5.10077 5.54376 5.37524 5.64664 5.61393 4.99877 5.7585 606497 "CPT,20-ester (S)" T1-T1-T1-Pr 7.05706 5.81491 5.57527 6.56913 5.457 7.24984 6.72736 7.483615 6.67526 6.764975 5.41617 5.93555 7.504015 7.34171 5.878125 6.92618 6.52452 7.2369 7.12126 7.22783 7.297715 6.08082 5.89576 6.511185 6.4308 5.73741 5.840335 5.661235 5.570005 6.580055 5.726755 6.649225 7.922565 6.224035 7.63741 8 6.66587 7.193905 6.2293 7.30118 6.577505 7.309055 7.370705 5.074085 6.18987 6.76581 5.80618 6.31238 7.20739 6.624905 7.15923 6.94336 6.12987 7.332695 5.172975 4.587695 5.864535 5.86829 5.97931 6.692835 606499 "CPT,20-ester (S)" T1-T1-T1-Pr 7.07108 5.51283 5.45335 6.55825 5.67054 7.10687 6.73092 7.356385 6.64883 6.76926 5.36949 6.10513 7.39656 7.556505 5.69195 6.93018 6.80744 7.48433 7.13064 7.04918 7.23072 6.15163 5.77171 6.47595 7.07762 5.66715 5.78902 5.61468 5.50061 6.61804 5.92523 6.12807 7.98001 6.27837 7.70656 8 6.82407 7.03395 6.24025 7.189355 6.415175 7.20684 7.25785 5.192 6.19907 6.70675 5.769915 6.27185 7.07565 6.41397 7.00136 7.10273 5.73359 7.3173 4.52423 4.49593 5.80541 5.67616 6.40847 6.65922 607097 DX-52-1 5.712445 5.57471 5.69664 5.54764 5.64361 5.65991 5.09795 5.73526 6.2997 5 5 5 5 5.55215 5.55593 5.43422 5.65577 5.69038 5.58242 5.312975 5.611775 5.66134 5.5091 5.59732 5.54603 5.72559 5.56231 5.68295 5 5.68895 5.47735 5 5.65216 5.57457 5.58747 5.68334 5.66321 5.623735 5.61635 5.609985 5.79463 5.68983 5.24936 5.54658 5.60301 5.70226 5.73351 5.49147 5.6692 5.65126 6.63201 6.71168 6.48034 6.43738 6.56636 6.2689 6.77399 6.59339 6.67213 6.87116 609394 B7722121F049(=K053) 9.244845 9.08657 8.953125 9.533385 8.91265 8.970435 8.97071 9.312365 9.7236 8.742125 8.45636 8.693625 9.457115 8.90163 8.627305 8.665395 9.381045 9.036245 8.532935 9.32124 9.033515 9.354275 8.59007 9.23612 9.301065 8.59912 9.31144 9.53591 8.275815 8.5862 8.64391 8.795775 8.901235 9.172945 8.8699 9.30612 8.11151 8.495345 8.654025 9.1776 9.14524 8.60382 8.412075 8 9.371285 8.92396 9.13471 8 9.51148 8.70582 NA NA NA NA NA NA NA NA NA NA 609395 Halichondrin B TU-TU-Tu 9.22689 9.18455 8.91911 9.60708 8.58832 8.82006 8.87605 9.33951 9.656865 8.76299 8.3016 8.85276 9.393545 8.88249 8 8.6299 9.415965 9.08609 8.38703 9.39814 9.211115 9.4252 8.685585 9.294985 9.31691 8 9.32385 9.54633 8.073185 8.618705 8.755395 8.576215 9.30166 9.349545 9.12667 9.29565 8.23487 8.463395 8.968825 9.297785 9.22981 8.748955 8.371395 8.14196 9.38587 8.62528 9.26606 8 9.640545 9.11584 NA NA NA NA NA NA NA NA NA NA 609397 B817373K328 6.11973 6.05399 6.2628 6.59305 NA 6.5276 6.572945 6.466305 6.60628 6.138115 5.12923 6.26817 6.47581 6.36023 5.48062 6.39012 6.25795 6.4385 6.039785 6.371355 6.64124 5.070195 4.83501 6.48999 6.390635 6.3148 6.2842 6.54589 4.737095 6.3917 5.40691 5.278405 6.43119 6.442085 6.218385 6.43878 6.15889 6.25744 5.86934 5.139715 6.23054 5.50204 5.83369 4.85013 4.92097 6.16762 4.805815 4.642565 6.52979 6.37392 6.53472 6.563955 6.391115 6.25282 6.40917 6.57837 6.906905 6.8639 5.048265 4.71625 609699 Topotecan 7.90309 6.715475 5.92388 7.59687 6.48494 7.46834 7.90309 7.90309 7.61062 7.23248 6.5583 6.520445 7.90309 7.90309 6.78823 7.90309 7.71783 7.90309 7.90309 7.90309 7.90309 6.81398 6.60276 7.44593 7.6287 6.32272 6.40103 6.61065 6.35067 7.50795 6.36998 7.33543 7.90309 7.17733 7.90309 7.90309 7.02118 7.90309 6.90838 7.90309 7.40379 7.90309 7.90309 5.29494 7.03576 7.63714 6.32701 6.92659 7.90309 6.77922 7.90309 6.737075 6.909725 7.90309 5.402565 5.56522 7.61445 7.77678 7.90309 7.773 610456 "CPT,20-ester (S)" T1-T1-T1-Pr 7.443025 6.40915 5.758955 6.90559 5.99675 7.27196 7.28991 7.79431 6.925865 7.105635 5.91234 6.33856 8 7.94865 5.93695 7.28434 6.94438 7.588245 7.41804 7.58703 7.520845 6.538305 6.33855 6.982635 6.85392 6.31309 6.20122 6.04551 5.84135 6.832545 6.317885 6.810225 8 6.454665 8 8 7.153405 7.46682 6.69699 7.55618 6.57078 7.5315 7.639905 5.455765 6.6314 7.01069 6.00808 6.478025 7.50393 6.69477 7.54174 7.417215 6.621555 7.56746 5.412935 4.835825 6.36242 5.964315 6.314875 7.186845 613002 613002 5.09804 4.67864 4.79306 5.22612 4.215035 4.84543 4.87271 4.723895 5.301235 4.82496 4.58057 4 4.940925 4 4.822505 4.26499 4.20207 5.159015 4.44318 4.96825 4.1595 4.98115 5.04539 5.11377 4.90707 4.87193 5.4396 5.12698 5.210785 4.944765 4.36408 4.153715 5.48907 5.440505 5.67637 5.04327 5.41791 4.893945 4.43866 4 5.30017 4.99427 4.860805 4.24805 4.671535 4.75708 5.230435 4.06745 5.56963 4.8376 5.076295 4.99996 5.42795 4.35558 4.10932 4.29421 5.300185 5.023195 4.63845 5.223635 613009 .beta.-Alanine 7.96482 7.49436 7.66543 7.346315 7.56544 6.92705 7.38357 7.27578 7.58951 7.4685 6.77071 6.94034 7.91923 7.01034 7.66256 7.66158 7.76915 7.53849 7.553265 7.456935 7.62339 7.59123 7.24323 7.48263 7.5141 6.45838 6.65685 7.39964 7.5064 7.20952 7.55901 7.5739 7.63802 6.70192 7.11671 7.34894 6.99 7.13165 7.7141 7.61522 7.6453 7.64264 7.63688 7.11865 7.42908 7.572635 7.880435 6.84906 7.7581 7.75356 6.68096 7.15099 NA 7.48067 7.76581 7.34578 7.35165 NA NA 7.24093 613327 Gemcitabine 6.75124 6 6 6.35237 6 7.38372 7.51202 6.87543 6.070835 7.20112 6 6.21766 7.33094 7.21905 6.38332 6.99775 6.689055 6.59569 6.65011 6.64075 6.99432 6.41346 6.00602 7.23989 6 6 6 6 6 7.38684 6.063685 6.06621 7.22329 6.35 7.02852 6.87185 7.20482 6.59795 6.75171 6.93162 6.41746 7.2632 7.60472 6 6.34823 6 6 6.196625 7.59962 6.71558 7.27426 7.17373 6 6.73307 6 6 6.24714 7.00565 6.259535 6.2848 613729 Combretastatin 8.3979 7.678285 8.31292 8.47852 8.04735 8.450825 8.5152 8.2671 8.69101 7.8888 7 8.15667 8.50383 8.5078 8.56427 8.477045 8.434035 8.40218 8.21982 8.45899 8.597835 7 7.196885 8.50789 8.49563 8.45294 8.27581 8.655 7.990715 8.52294 7.59169 7 8.557335 8.55413 8.475215 8.44668 7.82284 8.23503 8.24523 7.55986 8.612205 7 8.25623 7 8.56961 8.46375 7 7 8.671265 8.465685 NA NA NA NA NA NA NA NA NA NA 614937 614937 5.17462 5.32636 NA 5.00922 4.82793 5.24369 4.90066 4.85358 4.87936 5.0721 4.6422 4.54797 5.22193 4.56042 5.21728 4.66562 5.92136 4.98989 4.76041 4.59526 4.81105 5.28045 4.85131 5.18621 4.55785 5.08848 5.25481 6.11539 5.32437 5.10121 4.63142 4.42865 5.07662 5.28142 5.40042 5.44053 5.51648 5.40839 5.30513 4.41679 5.099405 5.118665 4.68933 4.39644 4.93623 5.20501 5.18062 4 5.22225 5.208085 5.312945 5.07283 5.66486 4.76782 5.028985 6.0353 5.13408 5.15269 4.59053 5.244645 615538 615538 5.42637 5.5807 5.49692 6.07201 5.54398 5.54305 5.20674 5.38401 5.96273 5.5762 5.03709 4.53534 5.62599 4.837 5.0106 5.34007 5.23637 5.6232 5.37553 5.37942 5.38288 5.54975 5.49899 5.60979 5.45446 4.44071 6.25284 5.48251 5.14031 5.45539 5.85834 4.81723 5.462925 5.63814 5.332225 5.75603 4.40407 5.2675 4.67979 4.61257 4.85106 5.09482 4.70124 5.438 6.24557 5.29074 5.56923 4.86423 6.12726 5.94993 5.88388 4 5.543855 4.74043 4.50464 5.34571 5.403405 5.155185 5.54157 5.65242 616362 2-Methoxycarbonyl-3 5.04117 4.89797 4.73685 4.74989 4.78224 4.7494 4.86207 4.74826 5.76682 4.72384 4.703725 4.84041 4.76411 4.74257 4.697845 4.71421 5.109405 4.72322 4.84082 4.76108 5.32545 4.783215 4.70047 4.99005 5.50572 4.81697 5.24898 5.21526 4.69579 4.77281 4.85477 4.721105 5.63248 5.59067 5.71605 5.681875 4.78824 4.87979 4.73099 5.4337 4.7548 5.45695 4.72289 4.88155 4.78397 4.671565 5.57043 4.78987 5.49421 5.40154 5.83604 4.62722 4.7616 4.69553 4.96023 4.64817 4.80141 4.77559 4.77413 5.321775 617128 Cis-7 5.90312 5.69445 5.3997 5.52168 5.75583 5.57797 5.74562 5.60748 5.79905 5.0867 4.88563 4.83459 4.99253 4.85949 5.28152 4.81796 5.16174 4.81314 5.22191 4.85076 5.76442 5.50513 4.98363 5.73849 5.77592 5.59539 5.41113 5.62342 5.243785 5.62732 5.66072 4.84859 5.77965 5.65212 5.70736 5.639045 5.2131 5.46342 5.08651 5.7288 5.7116 5.77998 5.49918 5.74456 5.47454 4.79612 5.67502 4.86512 6.28663 6.39304 5.75103 5.4445 5.50684 5.01501 5.66645 5.63627 5.49516 5.63393 5.78864 5.76975 617129 617129 5.85302 5.59981 5.6049 5.33379 5.72916 5.504285 5.75873 5.742765 5.7563 5.105915 4.78787 4.852635 5.323145 5.08384 5.81867 4.82386 5.58391 4.893615 5.677795 4.90016 5.709485 5.60688 5.619625 5.755325 5.75756 5.69455 5.58889 5.68629 5.557255 5.759845 5.730345 5.08313 5.626175 5.61753 5.637015 5.59341 4.97005 5.73899 4.83556 5.78451 5.69503 5.732735 5.382575 5.464605 5.67591 4.995495 5.71032 4.861685 5.73124 6.175055 5.700385 5.58956 5.72928 5.03901 5.74753 5.77862 5.743995 5.73928 5.71844 5.76547 617130 617130 5.86908 5.74011 5.719515 5.58765 5.75771 5.66941 5.77004 5.6894 5.823555 5.45535 4.836155 4.82031 5.23214 4.83812 5.78559 4.80821 5.52932 4.84952 5.6879 4.89638 5.74414 5.67219 5.64284 5.7632 5.76507 5.63159 5.57647 5.74186 5.48058 5.74389 5.77092 4.89358 5.77934 5.7178 5.70772 5.86586 5.81734 5.69973 5.05238 5.59977 5.74155 5.77434 5.77826 5.79414 5.68268 4.93509 5.65442 4.97699 6.11977 6.51642 5.78355 5.58201 5.69146 5.05973 5.74915 5.71219 5.73295 5.72168 5.77748 5.73643 617131 617131 5.78846 5.75958 5.70198 5.73082 5.73849 5.71401 5.81652 5.79025 5.77944 4.81515 4.82741 4.81714 5.42438 4.78948 5.75379 4.7886 5.50303 4.8375 5.73975 4.81049 5.74563 5.74313 5.69115 5.7401 5.761875 5.71446 5.73789 5.7542 5.66759 5.69875 5.72675 4.96211 5.63721 5.65801 5.50377 5.66683 5.46299 5.706405 5.03766 5.75373 5.640045 5.74654 5.70833 5.80809 5.749175 4.98547 5.70604 4.90659 5.77207 6.24862 5.71759 5.32645 5.67458 4.91755 5.76077 5.64316 5.77301 5.75743 5.73776 5.75522 617145 (2 4.72153 5.38763 4.78136 4.70943 5.0421 4.895385 4.93602 4.83569 5.77932 4.43738 4.66934 4.66487 4.42739 4.65586 4.97529 4.63593 4.69658 4.69927 4.72197 4.61168 4.67508 4.78454 4.919845 4.81876 5.36163 4.89555 4.63497 5.09639 4.67121 4.96981 4.78472 4.476825 6.578055 5.75867 6.014905 5.58908 4.74655 4.75971 4.54311 5.61949 5.221685 4.83321 4.80325 4.88735 4.86414 4.647715 5.490635 4.74448 6.53954 5.768 NA NA NA NA NA NA NA NA NA NA 617570 Benzoic 6.553125 5.62021 6.14961 5.72251 5.739705 5.72934 6.15919 6.51031 6.28839 5.839645 5.814415 6.02843 5.8565 6.174 5.35967 5.98413 5.55872 6.26312 6.42405 5.67416 5.81152 5.62785 6.395815 5.98826 5.6609 5.71635 5.28846 6.57879 6.042325 6.26675 6.1677 5.80287 6.59502 4.640505 6.4263 6.15827 6.11995 5.77117 5.63139 5.526875 5.86439 6.03773 6.05408 6.03982 5.36145 6.048585 5.78324 6.20701 6.46821 5.20898 5.28147 4.55 6.10189 4.51817 5.37857 4 4.88112 4.93362 NA NA 617573 Benzoic 6.05242 4.78692 4.74355 5.161085 4.87221 4.89555 4.75521 5.72807 5.43863 5.00786 4.97709 5.43836 5.13884 5.23728 4.86391 5.18023 4.86146 5.58989 5.52469 4.92158 5.0615 5.08919 5.98803 5.1934 5.068 5.0562 5.2418 5.75637 5.09289 5.678645 5.64558 5.193355 6.17615 4.63451 5.89699 5.693015 5.30106 5.060455 4.532875 4.60807 4.98934 5.31576 5.50279 4.56046 4.86925 5.23649 5.1974 4.949205 6.28363 4.88208 4.581325 4.558725 5.149395 4.87704 4.71247 4.18615 4.379275 4.24368 4.40377 5.3731 617644 Acetonitrile 4.719405 4.75293 4.58882 4.797945 4.64614 4.61747 4.78217 4.619925 4.72582 4.39286 4.36152 4 4.35393 4.01224 4.72282 4.31063 4.40989 4.23294 4.45871 4.23245 4.53749 4.703465 4.673245 4.75732 4.7301 4.726965 4.47074 4.81741 4.78798 4.67614 4.63073 4 4.69172 4.36986 4.66576 4.430205 4.57671 4.73466 4.867 4.74379 4.82167 4.74136 4.68147 4.680655 4.76355 4.43927 4.788925 4.27512 4.494775 4.699365 NA 4.70457 4.64025 4.09343 4.85459 4.68367 4.64696 4.65176 4.70101 4.78705 617668 B720389K237 9.05697 8.462815 9.206325 8.766695 8.16931 8.51497 8.51527 8.56035 9.73567 8 8 8 8.736485 8.2615 8.39323 8.200035 8.59868 8.305345 8.738265 8.71975 8.733275 9.23123 8.41173 9.27166 9.1971 8.74299 8.60546 9.457165 8 8.6635 8.574275 8.054835 9.41558 9.38791 8.922535 9.638335 8 8.7104 8.18745 9.11576 8.69627 8.47752 8 8.126815 8.591165 8 8.825895 8 9.85469 9.28202 9.620165 8 8.801295 9.2094 8.83705 9.726275 10.290305 10.44312 9.337335 8 617806 617806 5.417045 4.84405 4.95007 4.85835 4.77368 4.75533 4.82584 5.013885 5.68357 4.60578 4.72328 4.76197 4.74468 4.667385 5.54207 4.77654 4.98038 4.836805 4.86913 4.813255 4.94392 4.79949 4.800975 4.81882 4.833 4.80169 4.83526 4.73718 4.84124 4.75398 5.33821 4.63552 6.32432 5.451505 6.117325 5.98094 4.9096 4.79633 4.76007 5.95688 5.53179 5.28978 4.84064 4.83079 4.75872 4.78303 4.86078 4.67918 5.89701 5.832035 4.87359 NA 5.44061 4.73092 4.78922 5.24874 4.77741 4.91004 5.06008 5.40441 617823 4-Morpholinepentanoic 5.48985 5.61586 4.76034 4.89099 5.47319 5.063455 5.17595 5.475295 5.767725 4.65771 4.82563 4.62357 4.838955 4.67751 5.21356 4.670925 4.78912 4.987555 5.07553 4.713775 5.01711 5.28416 4.72197 4.98116 5.67684 5.51242 5.108335 4.92036 4.870685 5.55636 4.823875 4.662285 5.89237 5.65717 5.73965 5.677805 4.786995 4.961415 4.78541 5.348435 5.72928 5.10923 5.26931 5.18695 5.55437 4.67317 5.52408 4.75988 5.816505 5.667435 5.36027 5.513795 4.91441 4.76538 4.86995 4.32661 4.7209 5.22001 4.77654 4.78803 617933 617933 5.152595 5.22382 4.572415 5.5885 5.15725 5.32709 4.4716 5.57427 5.45649 5.116745 4.60787 5.3964 5.42029 4.92449 5.17025 5.3686 5.24852 4.990895 5.27813 5.32895 5.4056 5.74263 5.13316 5.491285 5.281575 5.3552 5.35577 5.13088 5.38418 5.091305 5.50467 5.04492 5.74693 4.7669 NA NA 5.76282 5.0869 5.42315 4.99849 5.219465 4.78355 4.9784 4.65364 5.36067 5.48485 5.2184 5.34954 5.13652 4.75158 5.56705 5.664215 NA NA NA NA NA NA NA NA 617976 Benzo(a)phenazine-8-carboxamide 5.98742 5.77476 5.721815 5.76982 5.722935 5.422875 5.619195 5.75271 5.42547 5.971745 5.25103 5.515525 6.319995 5.647675 5.64609 5.2628 5.4357 5.825325 5.584945 5.638745 5.76964 5.808755 5.72523 5.827465 5.97294 5.79773 5.666535 5.01284 5.723175 5.782985 5.63553 5.28683 5.935285 5.86291 6.44924 6.44716 5.55274 5.6324 5.530375 5.6898 5.51376 5.62216 5.85621 5.02514 5.76649 5.65216 5.84642 5.35499 5.95445 5.70363 6.32202 NA 5.55383 5.3142 5.7415 5.4409 5.4772 5.76363 4.97569 5.2135 617984 617984 5.41565 4.97209 5.04355 4.88759 4.83153 4.91241 4.98793 4.85293 4.926435 5.3114 4.79367 5.15973 5.4229 4.942525 5.15656 4.80215 4.905765 4.76665 5.23652 5.11928 5.32107 5.34609 4.92665 5.40387 5.28831 5.06138 5.17426 4.82518 4.99967 5.12303 4.90498 4.401345 5.2719 5.42509 5.442875 5.470765 5.3013 5.03628 5.033135 4.9659 4.95725 4.83002 5.367105 4.86763 5.31133 5.27808 5.35773 4.8786 5.34617 5.188465 NA NA NA NA NA NA NA NA NA NA 617988 Dibenzo[a 5.76273 5.717655 5.72652 5.41436 5.75115 5.71694 5.667085 5.664225 5.50193 5.6645 5.24772 5.780215 6.05796 4.791225 5.07853 5.685315 5.674615 5.759745 5.68053 5.726995 5.73217 5.80854 5.12537 5.78721 5.848405 5.769825 5.762565 5.634795 5.72273 5.752415 5.57263 5.25092 5.947155 5.818375 6.125575 6.34401 4.936595 5.71913 4.83231 4.8408 5.7573 5.642525 5.14738 5.270985 5.464925 4.78288 5.46115 4.84012 5.75496 5.76729 5.94365 NA 5.78219 5.74668 5.74057 5.88404 5.74176 5.78336 5.57656 5.09048 617999 617999 4.93799 4.56373 5.37081 5.31357 4.61468 4.84537 5.00325 4.85594 5.22686 5.29084 4.91667 4.29731 5.1191 4 6.04341 4.43822 NA 4.88631 4.95878 5.19644 4.43631 5.035695 4.63354 5.03706 4.44411 5.22036 5.31351 5.06424 4.74574 4.49406 4.18012 4.63203 5.2764 5.15937 5.582125 5.52924 5.47979 4.46203 NA 4.714 5.05561 4.62985 5.1754 5.16978 4.82282 4.46763 5.306015 4.10731 5.34762 5.539665 5.57677 5.24631 5.3711 4.92955 4.56105 4.845015 5.09817 4.97127 4.85832 5.14694 618049 618049 7.374215 7.21601 7.52315 7.59361 7.12721 7.50255 7.40858 7.56069 7.74003 7.38004 7.36934 7.29142 7.46579 7.384095 7.40821 7.11527 6.74519 7.48086 7.26207 7.60274 7.66446 7.51656 7.6674 7.481 7.5077 7.00157 7.62977 7.60209 5.904585 7.49328 7.3429 7.51961 7.50108 7.61021 7.36838 7.360665 4.53589 7.22693 7.73034 7.494825 7.73245 7.3511 7.01075 4.88563 7.23795 7.41383 7.6738 5.6395 7.59785 7.4424 7.84109 NA NA 7.42202 7.45415 7.07594 7.87212 NA 7.29471 4 618059 1-Penten-3-one 4.817425 4.73367 4.726755 4.7461 4.873735 4.79291 4.82997 4.79289 5.74233 4.66073 4.70929 4.64413 4.746015 4.564345 4.77191 4.644265 4.7109 4.8726 4.81162 4.71381 4.850195 4.833595 4.6951 4.818105 5.40655 4.96184 5.01601 4.803985 4.70636 4.767625 4.75769 4.65058 5.65368 5.49031 5.46296 5.39797 4.733945 4.77287 4.69472 4.821 4.90087 5.16436 4.80155 4.81918 4.812 4.62834 4.86013 4.757055 5.52791 5.67221 5.347465 4.69723 4.75866 4.72467 4.77919 4.56737 4.824635 4.84797 4.80268 4.752575 618093 618093 4.80147 4.708295 4 4.90606 4.96635 4.41711 4.1619 4.71766 4 5.237645 4 4.36499 5.36934 4.52177 4.478945 4.09235 4.34627 4.06677 4.09093 4.18391 5.41366 5.11891 5.33472 4.98699 4.13365 5.00251 4.73419 4.31368 4 4.408125 4.45699 4 4.15456 4.27897 4.364835 4.538095 4.90156 4.08498 5.1677 4 4.2589 4.53846 4.65399 4.000725 4.27576 4 4.882645 4.0961 4.74926 4.90594 5.36917 4.148835 4.27755 4.85833 4 4 5.05225 4.778935 4.654065 4.2271 618201 1 5.67767 5.3391 4.81504 4.91387 4.96409 4.92291 4.98426 5.206715 5.7218 4.79784 4.72556 4.76765 4.71536 4.65745 5.74256 4.712625 4.73658 4.847685 4.91325 4.77146 4.897915 5.165835 4.746705 5.72009 5.724955 5.385125 4.84967 5.69051 5.61558 5.60623 5.24091 4.75653 6.51328 6.114775 6.38675 6.43301 5.4808 4.92825 4.73254 5.38407 5.67684 5.079395 5.55689 5.402855 5.666505 4.7249 5.63636 4.73284 6.20229 5.61455 NA 5.20851 5.21953 4.83535 5.68979 5.08547 5.19556 5.27856 5.02845 5.79412 618261 2H-1-Benzopyran 5.827545 5.70246 5.73715 5.58246 5.76871 4.96517 5.74778 5.76651 6.136185 4.7478 4.788605 4.80954 5.45182 4.6996 4.77862 4.90455 4.82074 5.45489 5.51121 5.05852 5.31419 5.71247 4.875215 5.78049 5.65182 5.710815 5.72203 4.9946 4.99429 5.50726 4.87598 4.98144 6.41347 5.835 5.69782 5.80886 4.90255 5.35795 4.745105 5.345835 5.71908 4.89415 5.56543 4.75917 5.77847 4.754315 4.98149 5.12007 5.77329 5.77601 5.5962 NA NA 4.79705 5.62782 5.37898 5.51414 NA 5.56208 4.92033 618315 1 NA 4.80799 4.990275 4.79988 4.75766 4.86024 4.93606 4.87849 5.62077 4.67354 4.73733 4.80573 4.73751 4.70096 5.70179 4.77146 4.828935 4.9839 5.18106 4.8058 4.78313 4.752 4.8162 5.44712 5.37004 5.20329 4.94087 5.734015 5.68357 5.69449 4.74548 4.68712 6.66526 5.84614 6.43306 6.5697 4.81467 4.87647 4.791225 5.23112 5.1659 4.93854 5.36859 4.79526 4.77027 4.7319 5.151495 4.70733 6.47634 5.676765 5.71512 NA NA 4.71749 5.66659 4.81155 4.99614 NA 4.80995 5.65384 618332 1 5.32868 5.19573 5.044485 4.92997 5.4871 5.15277 4.965455 4.890905 5.70288 4.73167 4.69911 4.77174 4.97493 4.64867 5.754685 4.98109 5.51182 5.74846 5.483865 4.8402 5.61843 5.305785 4.71904 4.85787 5.548975 4.93276 4.78391 5.10906 4.794495 5.10611 5.259995 5.44527 5.64626 5.43496 5.74876 5.658035 5.32264 5.2627 4.87185 4.98966 5.20869 4.99606 5.192915 4.792245 4.853 5.50916 5.60358 4.86732 5.439235 5.521505 4.755985 4.65303 4.75785 4.729025 5.285155 5.30308 5.09811 5.41645 5.335645 5.45559 618757 Piperidinium 4.82735 4.61803 4.82759 4.905045 4.88101 4.64698 4.66988 4.89654 4.95066 4.69496 4.4072 4.50501 4.79732 4.36892 4.68251 4.758115 4.73474 5.17607 4.74309 4.50717 4.58599 5.03444 5.08651 5.00954 4.80331 4 5.24302 5.07119 4.71563 4.7277 5.100795 4.59112 4.99889 5.14729 4.90498 5.091895 4 4.65375 4 4 4.316995 4.51345 4.20124 4.103805 4.95135 4.49093 5.49358 4.44682 5.63156 5.4281 5.26849 NA NA 4.50531 4.74561 4.30145 4.91727 NA 4.97958 4.78324 618759 618759 6.6453 6.020615 5.87631 5.75964 5.80387 6.1296 5.914685 5.903045 7.337315 6.05648 5.83859 5.997355 6.16875 5.79101 6.464405 5.715945 6.124525 6.61565 6.355425 6.17515 6.286375 6.72617 6.456425 6.525365 7.0832 6.73193 6.39237 6.49927 6.46539 6.06211 6.357035 5.82484 7.33428 6.81901 6.797465 6.98596 5.832205 6.645685 5.79607 6.39929 6.53982 6.350655 6.70599 5.96756 5.767355 5.75095 6.775965 6.01821 6.797575 6.662 6.607905 6.40588 6.5639 5.71276 6.708315 6.37713 6.37611 6.75193 5.769935 6.279925 618770 618770 5.47013 4.76391 4.71748 4.78649 5.137585 4.818355 4.90999 4.763555 5.70187 4.697405 4.66934 4.74562 4.7971 4.708455 5.063895 4.81319 4.8135 5.086685 4.718165 4.78272 5.086325 5.105855 4.7781 5.34677 5.558965 5.31051 5.52642 4.96649 4.8054 5.24319 4.68509 4.75962 5.750295 5.564415 5.689835 5.61313 4.832305 5.12472 4.71761 5.7417 5.07837 5.48068 4.87194 5.159195 4.87288 4.79298 5.57511 4.746495 5.68495 6.21966 5.51623 4.51376 4.83532 4.71851 4.96727 4.547285 4.9153 5.21441 4.804335 4.815255 618939 "CPT,20-ester (S)" T1-T1-T1-Pr 7.702925 6.3 6.03693 7.48416 6.49311 7.46823 7.26162 8.14668 6.384 7.37378 6.04881 6.59415 8.06569 7.631105 7.00106 7.7491 7.12534 7.91869 7.78302 7.66424 7.70016 6.91753 6.839025 7.5302 7.04966 6.66234 6.6958 6.45206 6.30588 7.33356 6.615805 7.11708 8.69824 7.11467 8.4563 8.67223 7.5555 7.48007 6.68921 7.675515 6.85706 7.58741 8.05857 5.65909 6.86255 7.34673 6.404235 6.60651 7.98033 8.33354 8.06861 7.37555 7.011895 7.884665 5.484895 5.372695 6.711505 6.76312 7.270925 7.692325 619003 MX2 7.21656 7.12042 6.46732 6.992025 6.31417 6.68291 6.52784 7.07806 6.71286 7.64565 6.4917 6.72282 8.2212 7.15062 7.7329 7.11547 6.77364 7.09629 6.94034 7.2747 6.9735 7.174075 6.580495 7.300355 7.362675 7.167345 6.80371 6.41348 6.59075 6.98063 6.87677 6.799215 7.35148 6.92343 7.80454 7.71463 6.776365 7.15206 6.66148 7.411915 6.53942 7.35206 7.43497 6.345665 6.57978 7.00379 6.79304 6.39895 7.515195 7.04127 7.69213 6.85874 6.982775 7.08172 6.318575 6.39528 6.517325 6.98441 7.294 6.70522 619042 Cyclohexanone 5.70692 5.85619 4.96311 4.95748 5.68677 5.42133 5.7932 4.91396 6.76692 4.66818 5.335015 4.73472 4.70935 4 5.780385 4.240375 4.7675 4.75872 4.82338 4.70401 4.78972 6.14413 4.808215 5.7665 6.75535 5.75695 5.124605 5.696455 5.69622 5.690035 4.70088 4.75192 6.813775 6.77901 6.70515 6.594705 4.7129 5.7215 4.723575 5.7487 5.75347 5.59562 5.83008 5.57398 5.75169 4.696695 5.74255 4.74775 6.02776 6.84569 6.6739 5.615205 4.72762 NA 5.40886 5.48686 4.70829 4.91734 5.48978 5.77181 619165 619165 5.64221 5.7239 5.72293 5.71087 5.73213 5.53448 5.73013 5.43533 5.78106 5.29288 5.17843 5.39901 5.72785 4.92468 5.60983 4.99861 5.18206 5.75533 5.22658 5.61794 5.74611 5.74178 5.74993 5.74798 5.71909 5.64838 5.71661 5.6289 5.43252 5.64115 5.39565 4.85421 5.62182 5.62536 5.52794 5.568345 5.36021 5.48172 5.57355 5.565925 5.8228 5.74158 5.53582 5.249915 5.769175 4.943935 5.74507 5.58905 5.80541 5.62767 5.69517 NA 5.30019 4.90009 5.66902 5.68911 5.47165 5.67993 4.96705 5.65319 619321 619321 5.397715 4.80376 4.8929 5.244915 5.42721 5.67681 4.79139 5.64215 5.350525 5.33076 4.85229 5.43504 5.59904 5.678885 5.35512 4.94734 5.49064 5.7039 5.60113 5.43208 5.15759 5.3658 4.940775 5.44363 4.73234 4.76716 5.40781 4.88848 5.81732 5.34173 5.48249 5.64561 5.33369 4.50459 5.22741 5.4411 4.716115 4.92296 5.70182 4.917615 5.65984 5.28916 4.78745 4.97919 4.984085 5.101905 5.42111 5.10377 5.07326 4.54282 NA NA 4.87454 NA 4.92159 5.01152 4.3392 4.67483 4.88538 4.69571 619324 619324 6.61229 6.76236 6.52702 6.70172 6.73309 6.70396 6.73639 6.653565 6.81958 6.68036 6.06026 6.28409 6.531515 5.91437 6.74755 6.020175 6.71355 6.676585 6.759345 6.28158 6.70318 6.77862 6.75004 6.876415 6.73157 6.733045 6.613865 6.75278 6.70369 6.52337 6.70149 6.58011 6.81675 6.622025 6.8549 7.09842 6.565975 6.685985 6.71026 6.9338 7.16451 6.78517 6.71558 6.616795 6.73045 5.849805 6.97284 6.45122 6.50889 6.4851 NA NA 6.54919 6.34134 6.69918 6.27133 5.92022 6.4466 6.56445 6.45713 619859 1H-3-Benzazepin-2-one 5.60377 5.47956 5.92305 6.241415 5.702445 5.64568 5.74812 6.23282 6.148325 5.825615 5.297325 5.34072 5.99046 5.56028 6.076 5.14326 5.55203 5.640905 5.35775 6.244205 5.829295 6.00056 5.51274 5.58085 5.828685 6.16151 5.83842 6.368975 4.74691 5.40957 5.52395 5.61044 5.39392 6.29885 5.40284 5.98751 5.20202 5.23498 5.681175 5.16118 5.76763 5.3875 5.289755 5.10835 5.29614 5.727055 5.6704 4.54084 6.39495 5.529845 6.127395 5.56433 5.892385 5.60073 5.261325 5.5745 6.451925 6.527405 6.12229 5.38428 619860 Benzo[1 5.55551 5.58436 5.49326 4.14309 5.55355 4.42869 5.61336 5.49406 4.77217 4 4.64885 4.53907 4.6569 4.906705 5.38795 4.28319 5.05298 4.96011 5.65733 4.83135 5.32974 4.1107 4.505305 5.27068 5.29597 4.14505 4.20092 4.56608 4.7182 5.40887 4 4.61705 5.641815 5.64763 5.37887 5.41385 5.09255 5.30346 4 5.076695 5.41599 5.312695 4.11094 4.85625 5.42622 4.81486 4 4.66275 5.74644 5.504 4.47526 NA 4.44318 4.51524 5.56966 4.44194 5.49611 5.68799 5.39888 5.07018 620056 620056 5.32782 4.73882 4.741565 4.72971 4.6632 4.70761 4.83898 4.84509 5.67016 4.54818 4.68908 4.67297 4.66424 4.586015 5.723825 4.656295 4.71257 4.78546 4.648465 4.77215 4.70816 4.74301 4.76475 4.68909 5.45704 4.79359 4.7143 5.00614 4.92258 4.83248 4.71702 4.676 6.25046 5.66101 5.68842 5.69375 4.73572 4.72577 4.77064 5.033825 5.18526 4.75748 4.91145 4.74513 4.650545 4.6709 5.30076 4.69162 5.42571 5.48716 4.54051 NA 4.74851 4.55078 4.68819 4.43696 4.6673 4.87514 4.75177 5.63137 620109 Propanoic 5.5678 5.66605 4.78867 4.90252 5.59283 5.28421 5.71064 4.79775 5.76626 4.76219 4.79759 4.79249 4.76085 4.63734 5.70759 4.72874 4.790935 5.24302 4.78764 4.78296 5.46472 5.45064 4.92421 5.42831 5.84711 5.73458 4.87844 5.62696 5.68679 5.64798 4.89406 4.72673 5.91825 5.81873 5.83201 6.0254 5.4127 5.51234 4.774645 5.49699 5.59639 5.344355 5.46079 5.35477 5.371025 4.64453 5.915125 4.76126 6.5958 6.305195 5.46786 5.50873 4.8586 4.77309 5.68229 5.53667 5.43197 5.47844 5.69436 5.601675 620129 Propanenitrile 5.14643 5.68515 4.77016 4.7983 4.93293 4.78492 5.321985 4.86853 6.166945 4.70782 4.77166 4.80022 4.73516 4.35055 5.73869 4.73949 4.73651 4.81641 4.6542 4.70774 4.84734 4.99869 4.79972 5.34879 5.81015 5.7264 4.75629 5.55276 5.693175 5.2609 4.79317 4.71071 6.21633 5.70273 5.87434 5.92035 4.71809 4.7944 4.86463 5.513915 5.66827 4.77497 5.46104 5.72355 5.21963 4.656455 5.755935 4.6996 5.814005 5.47874 4.99163 NA 4.75776 4.75797 4.70476 4.92862 4.76848 5.09186 4.77828 5.5448 620325 Spiro[cyclohexane-1 4.78599 4.77053 4.71939 4.723305 4.721755 4.74669 4.77208 4.79979 5.2765 4.644205 4.6969 4.7001 4.6846 4.713575 4.70309 4.57874 4.72386 4.72599 4.73346 4.69901 4.73123 4.75422 4.76372 4.748155 4.795415 4.78054 4.75057 4.871535 4.76764 4.74279 4.74664 4.65613 5.44119 4.80576 4.93745 4.65084 4.77279 4.73906 4.74793 4.77623 4.83924 4.7695 4.73403 4.7784 4.77332 4.715 4.794675 4.69721 4.98861 4.91681 4.75322 4.742525 4.604 4.67718 4.77382 4.58449 NA 4.71801 4.71604 4.76843 620480 3-Aza-A-homoandrost-4a-en-4-one 5.493645 4.99699 4.71766 4.967 4.78571 5.53459 5.18873 5.87763 5.782235 5.32843 4.73318 4.75404 6.53544 5.546885 5.0497 4.94022 5.13338 5.69792 5.51903 4.96464 5.61047 4.99542 5.41628 5.39595 5.62169 5.5791 5.11348 5.54309 5.14331 5.41288 4.89831 5.18573 6.528 5.55764 6.43841 6.85881 5.3735 5.38286 4.73123 5.381745 5.360145 6.01611 6.05357 4.75243 4.84647 4.90404 4.88558 4.97635 5.8441 5.26692 5.88951 NA NA 5.3425 4.75616 4.75092 4.66133 4.87659 4.75715 5.72565 620514 1 4.864685 4.73086 4.63273 4.78712 4.76552 4.80548 4.75993 4.79653 5.44368 4.4954 4.76964 4.74168 4.60803 4.33344 5.755905 4.61434 4.648845 4.78865 4.71761 4.77307 4.74505 4.7372 5.67741 5.01294 5.065225 4.97712 4.81936 5.45863 5.22397 4.63258 4.81064 4.729555 6.28586 5.76013 5.76997 6.329155 4.78244 4.75884 4.74854 4.69902 4.84372 5.24444 4.83471 4.73996 4.78417 4.53836 4.81913 4.64947 6.254645 5.50129 4.88522 4.81719 4.7919 4.75215 5.68185 4.55152 5.43934 5.29544 4.80181 5.72326 620515 1 4.98765 5.64294 4.74126 5.00607 4.69922 4.905165 5.170985 4.89765 5.64335 4.618095 4.692835 4.771945 4.52563 4.35917 5.36014 4.4441 4.79221 4.72822 4.744605 4.735145 4.73206 4.70533 4.65061 5.071315 5.58782 4.87279 4.7079 4.8196 4.79831 4.71765 4.779315 4 6.14776 5.68478 5.673155 6.17854 4.789845 4.773415 4.70717 5.15669 5.20186 4.74052 5.23184 5.02339 4.78181 4.820385 5.6883 4.69539 5.8937 5.18445 5.16396 4.64623 4.818955 5.18978 4.92016 4.514575 5.127155 5.389765 5.081135 5.66339 621179 621179 5.8383 5.34247 5.1192 4.92345 4.8085 4.80563 5.31294 4.831215 5.72639 4.64437 4.74901 4.53584 4.73349 4.455205 4.84485 4.50928 4.82925 4.75186 4.77531 4.743985 4.80029 4.91454 4.702395 5.42454 5.45493 5.33202 4.78482 4.609205 4.71803 5.12958 4.72031 4.57046 6.40532 6.31197 6.2918 6.40187 4.82907 5.36942 4.70584 5.17305 4.79094 4.930695 4.82145 4.68442 4.82938 4.691815 5.40982 4.69481 6.39163 5.62025 NA NA 4.58649 4.71873 4.67684 4.78298 4.772 5.43879 5.15855 4.7877 621812 621812 4.999245 4.113425 4.75844 4.19207 4 4.877445 4.05705 4.677745 5.63512 4.906165 4.88662 4.79817 4.76507 4.712775 5.37793 4.72836 4.875655 4.827655 4.68947 4.825725 4.796995 4.864535 4.844225 4.946195 5.407085 5.167625 5.09435 4.89544 4.959495 4.771825 4.733345 4.65945 4.87477 5.5036 5.44537 5.66022 4.82656 4.676085 4.67428 4.7062 4.847225 4.587555 4.74366 4.68751 4 4.77206 5.55617 4.863205 5.11756 5.56229 5.21905 4.822045 NA NA NA NA NA NA NA NA 621888 621888 5.92394 6.23367 5.54863 5.70551 5.62232 5.520685 6.046035 5.360405 7.2207 4.74971 5.767955 4.776475 4.979785 4.71967 5.86558 4.75916 5.50676 5.12252 5.52682 4.71578 4.78159 6.16622 5.662865 5.8463 6.83237 6.37637 5.91319 5.81147 5.73416 5.85586 5.08186 4.80124 6.8045 7.19593 6.895555 7.66172 4.99993 5.85215 4.76061 6.634435 5.610635 4.91047 5.517915 5.567015 5.75289 4.83035 6.33486 5.252025 7.086955 7.298805 6.38885 4.68265 5.09209 4.756265 5.578235 4.746465 5.35765 5.611605 5.30351 5.43836 621889 Cyclopentanemethanaminium 6.19526 5.82175 4.96785 5.10108 5.75156 5.40423 5.84971 5.57874 7.977425 4.74324 5.66504 4.75928 4.70021 4.44995 5.77413 4.695315 5.65111 4.81076 4.76553 4.74491 5.77253 5.82363 4.74871 5.85689 6.43573 5.71864 5.25907 5.62709 5.75957 5.67666 4.78254 4.77184 6.671765 6.42415 6.64266 6.47049 5.27957 5.81925 4.76526 5.74869 5.7938 5.75903 5.85938 5.54426 5.14469 4.74276 5.73377 4.75602 6.390655 6.50963 NA 5.7116 5.85219 7.52873 5.85618 5.46497 5.76732 5.77268 5.99835 6.71643 622114 622114 4.833855 4.12425 4.65425 4.655835 4.417195 4.92911 4.676965 4.17899 5.2791 4.922355 4.9287 4.745735 5.063565 4.701205 4.86572 5.36074 5.41393 5.34317 4.37908 4.685815 4.554765 4.6788 4.61062 5.32463 5.39109 5.10123 5.59054 5.224855 4.91415 4.455295 4.27245 5.09815 4.8904 5.320265 4.63121 4.66982 4.376265 4.46412 4.48123 4.32922 4.95297 4.22668 4 4 4.121175 4.053095 5.241825 4.575945 7.91311 5.64887 5.194875 4.956525 5.15419 4.360055 4.58854 4.961805 4.20385 4.268965 5.099895 5.562855 622124 622124 5.280205 4.31506 4.999905 4.736625 4.409065 5.31706 4.5402 4.58292 5.59201 5.408165 5.25856 5.349655 5.346265 5.47565 5.091835 5.682385 5.46541 5.627005 4.53037 5.26522 4.931165 5.046785 4.942195 5.42067 5.42149 5.26942 5.70532 5.14364 5.19985 4.7746 4.497225 5.63321 4.754815 5.208525 4.70958 5.514525 4.25802 4.886895 4.79658 4.55688 4.96857 4.47307 4.711145 4.0276 4.34665 4.62899 5.42717 4.823155 4.88468 5.66018 5.36957 5.206635 5.78465 4.360055 5.094205 5.19168 4.17398 4.37471 5.566505 5.54234 622190 Benzo[f]quinazoline-7 5.89581 5.68833 5.66052 5.81799 5.71849 5.89323 5.72782 5.76438 5.63926 5.64603 5.70005 5.73388 5.66097 5.75995 5.787695 5.624095 5.78406 5.75919 5.61058 5.71031 5.79333 5.677375 5.26176 5.75159 5.7838 5.71694 5.17683 5.81077 6.27471 5.64814 5.77513 5.39878 6.34042 6.35838 6.48129 6.78398 5.637375 5.7292 5.65433 5.73603 5.76074 5.73753 5.78221 5.49578 5.75793 5.657705 5.72755 5.6972 6.12897 5.738 5.81242 5.63579 5.634645 5.740495 5.92388 5.4818 6.63309 6.53994 5.74767 5.95588 622281 4H-1-Benzothiopyran-4-one 5.53426 5.75627 4.898525 4.82719 5.53888 5.320665 5.77172 5.18273 5.94581 4.731005 5.419435 4.75252 4.75823 4.72204 5.7036 4.75769 4.876025 4.76754 4.90268 4.764425 4.82616 5.487415 5.04919 5.760505 5.77363 5.69628 4.8259 5.742715 5.74058 5.651395 4.7449 4.7207 5.79592 5.74711 5.71871 5.779805 4.829185 5.27361 4.780685 5.732035 5.71401 5.525395 5.742735 5.06762 5.65698 4.76099 5.730455 4.80601 5.71285 5.590875 5.41369 4.77551 4.80925 4.72907 4.89873 4.59512 5.28936 5.51498 4.83966 5.59815 622282 4H-1-Benzothiopyran-4-one 5.264145 5.75268 4.78805 4.81985 5.666155 4.88012 5.73807 4.89422 5.743465 4.734175 4.799715 4.778115 4.708965 4.6759 5.75133 4.76057 4.79393 4.72869 4.754835 4.749945 4.795745 5.30135 4.76089 5.75149 5.75907 5.689515 4.78427 5.718265 5.70811 5.713545 4.702405 4.75224 5.86915 5.83594 5.74818 5.69076 4.80303 4.80051 4.77857 5.74734 5.4791 5.37553 5.69973 4.946185 5.597075 4.75679 5.73091 4.80651 5.771145 5.71319 5.565205 4.745 4.754105 4.792635 4.82348 4.574795 4.95853 5.351215 4.714735 5.51139 622380 622380 4.74349 4.77262 4.7758 4.67997 4.73444 4.75446 5.09665 4.79377 5.363775 4.682685 4.709155 4.67504 4.511875 4 4.809315 4.68222 4.693995 4.73852 4.765355 4.534915 4.63638 4.756305 4.7435 4.675415 5.166105 4.69511 4.723985 4.6819 4.74114 4.69535 4.67345 4.7483 5.67095 5.48884 5.37899 5.07487 4.74686 4.73561 4.47534 4.78041 4.724775 4.766615 4.81212 4.750505 4.79284 4.676795 5.222025 4.68482 5.579865 4.67768 4.68195 NA 4.70374 4.57728 4.67182 4.47845 4.66038 4.71585 4.75413 4.55363 622381 622381 4.790755 4.76174 4.681715 4.581975 4.74824 4.74437 4.69861 4.77178 5.362415 4.31782 4.74659 4.20313 4.05639 4 4.834895 4.51405 4.76081 4.51526 4.64976 4.514995 4.754155 4.698235 4.75639 4.791235 4.77434 4.72617 4.64524 4.77761 4.75848 4.72729 4.73289 4.704405 5.31459 5.42019 5.55342 5.083905 4.72329 4.69693 4.19264 5.20184 4.78529 4.77139 4.732155 4.742535 4.74507 4.61351 4.85151 4.68828 4.95855 4.76244 4.60538 NA 4.73355 4 4.83506 4.60554 4.71572 4.76212 4.71263 4.65689 622384 622384 4.783035 4.77238 4.336335 4.40063 4.705725 4.7761 4.7049 4.83031 5.83737 4.009105 4.67038 4 4.07822 4 4.75431 4 4.838 4.64065 4.54025 4.274015 4.62874 4.64682 4.707855 4.58458 4.74457 4.79262 4.72285 4.76487 4.68045 4.67561 4.74812 4.55458 5.58153 5.45098 5.20608 5.156435 4.69272 4.70752 4 4.793815 4.64735 4.78549 4.741215 4.72903 4.44274 4.48739 4.84443 4.68359 5.73841 4.86045 4.68543 NA 4.78917 4.42063 4.76847 4.55244 4.74746 4.7086 4.78211 4.74986 622608 1 4.81457 4.72436 4 5.55928 4.68645 4.69027 4.677315 4.71399 6.43569 4.6568 4.464915 4.42151 4.54041 4.602575 NA 4.09178 4.69237 4.632605 4.67542 4.42875 4.76923 5.61252 4.19444 4.81305 4.65789 4.76326 5.429015 4.734505 4.66392 4.610945 4.26082 4.25098 6.046535 5.42441 5.37079 6.55145 4.687425 4.62423 4 4.66632 4.70824 5.33629 4.71539 4.42717 4.29394 4.11263 6.06442 4.39322 5.99204 6.07383 4.78575 4.12261 4.81055 4.17676 4.80123 4.52813 4.688595 4.77869 4.731265 4.68738 622688 622688 4.79102 4.716415 4.86109 6.39649 4.57666 4.54602 4.75899 6.392935 7.028985 4.2227 4.40751 4 5.49854 4.177765 4.73467 4.003295 4.588565 4.80903 4.65083 4.66456 4.6828 6.86949 4.111045 4.85243 5.630275 4.44928 5.43586 5.00707 4.80455 4.715725 4 4 6.69822 6.46481 6.19525 6.13161 4.324105 4.707595 4 4.636235 4.71932 4.800085 4.5608 4.56086 4.6104 4 6.55808 4.75572 6.145275 6.44152 5.601925 4 4.846485 4.14772 4.809605 4.26057 5.718725 5.448455 4.629695 4.63087 622691 Thiourea 5.36302 6.12132 5.625 6.02198 5.07058 5.63414 5.51342 6.27503 6.56546 5.63636 5.16072 5.13778 5.61022 5.5042 4 5.22572 5.90916 5.93773 5.127355 5.67657 5.70831 5.75464 5.33588 5.58587 6.14768 5.46901 5.64607 5.80308 4.88425 5.29813 4.95556 5.6509 6.01148 6.43983 5.47147 5.706275 5.25891 5.30845 5.47666 5.75149 5.80482 5.30855 4.490685 4.64335 5.36724 4.919795 5.51028 4.45766 6.34502 5.59433 6.31022 NA 6.2928 NA 4.9821 6.50838 6.56303 6.65653 4.91316 6.24293 622700 Methanaminium 5.75592 6.65441 5.71765 5.41442 5.72059 5.65961 5.95658 5.42333 6.02481 4.70824 5.72264 4.75107 4.66129 4.63778 6.42262 4.709685 5.55095 5.68051 5.143155 4.68946 5.69376 5.65384 5.72898 6.22944 7.041125 6.61569 5.0884 5.98387 6.1555 5.72676 5.48987 4.69627 6.99844 7.08533 7.03252 6.802365 5.66211 5.73673 4.82986 5.850095 5.78747 6.32556 5.80489 5.88724 5.80036 4.72352 6.54837 5.57194 6.65416 7.237485 6.12794 5.587 5.5764 5.27841 5.70676 4.50916 5.74501 5.7068 5.79223 5.79241 622984 Spiro(3-cyclopentene-1 4.805845 4.8147 4.70761 4.69841 4.7495 4.703055 4.86167 4.78576 5.41379 4.651345 4.608385 4.45762 4.6516 4.49301 4.86943 4.55909 4.82803 4.75233 4.67217 4.75611 4.75558 4.76278 4.72359 5.01085 5.440845 5.063895 4.69063 4.699805 4.608225 4.80176 4.7029 4.73242 5.56951 5.57277 5.604455 5.486495 4.735825 4.76544 5.33648 5.2797 4.88968 4.805315 4.816915 4.77499 4.724 4.74375 5.480685 4.745325 5.54269 5.45263 4.782725 4.55722 4.752315 4.79032 4.5474 4.452385 4.8321 4.782075 4.74579 4.749225 623166 623166 4.93693 4.73468 5.04181 4.82562 4.83287 4.92859 4.94894 4.88557 4.9832 4.78586 4.95026 4.78761 4.87199 4.74552 4.71528 4.79191 4.81049 4.84166 4.86968 4.80241 4.81851 4.84217 4.80432 4.9304 4.92789 4.9334 4.73757 5.006585 4.74723 4.87418 4.925795 4.79281 4.97084 5.3367 5.32417 5.58144 5.09437 4.87546 4.77281 4.81764 4.93983 5.40462 5.02405 4.94356 4.93191 4.945615 4.82509 4.78642 5.26334 5.59831 5.14158 4.83883 5.10681 4.94715 5.01605 5.20771 5.35993 5.4911 5.63659 5.49083 623527 623527 5.58958 4.77459 5.34492 5.38316 5.08037 5.23087 5.129845 5.53291 5.778735 5.338165 4.82113 4.871165 5.60623 5.36011 5.70568 5.70745 5.54142 6.229335 5.45668 5.32172 5.375045 5.720635 5.601115 5.63324 5.32832 4.89421 5.417855 5.327735 5.31493 5.516345 5.85803 4.87647 5.572145 5.62026 5.18291 5.49754 4.86184 5.26421 4.83864 4.98039 5.6048 5.140625 4.999235 5.391255 4.99295 4.98562 5.955205 5.519595 6.60423 6.18379 5.330695 4.78131 6.191905 4.874525 5.08509 4.86659 5.05606 4.979575 5.136685 5.28993 623639 623639 5.47182 5.75594 4.825955 5.1736 5.73619 5.68421 5.75398 4.90672 6.7003 4.65309 5.64763 4.78347 4.61379 4.70114 6.03567 4.748415 5.711015 5.06064 5.69772 4.688165 4.937 5.806845 5.06414 5.76775 6.01032 5.74569 5.31056 5.74294 5.69858 5.72633 5.14925 4.69861 6.60848 6.58426 6.62 6.39771 5.67708 5.61077 4.76552 6.17668 5.76459 5.7017 5.7515 5.72387 5.55185 4.8347 6.27848 5.20722 6.46392 6.46327 5.75585 NA 4.76391 4.80986 4.70688 4.41303 4.78876 5.30567 4.76999 5.46587 623654 Mercury 4.84457 5.42918 4.81625 4.92335 4.80268 4.81829 4.90216 4.81724 5.83601 4.726 4.77946 4.785965 4.68575 4.65846 4.69386 4.81949 4.741115 4.99866 4.48243 4.788065 4.71208 4.90423 4.777395 4.77995 5.46538 4.8394 4.79137 4.79918 4.80615 4.58739 4.92448 4.697575 5.83205 5.99208 5.60705 5.32083 4.67937 4.77718 4.67934 4.76866 4.85633 4.81301 4.81097 4.70512 4.72507 4.614945 5.185695 4.67667 5.60797 5.184305 4.94487 NA 4.8388 4.75291 4.80642 4.61519 4.81464 NA 4.68711 4.72383 623758 Naphth[2 5.64094 4.82446 4.777225 5.55808 4.93762 5.46453 5.06886 5.52109 5.57534 4.84456 4.813385 4.83963 5.13834 4.78417 4.923865 5.21309 4.81514 5.66072 5.54863 4.745075 5.36141 4.73035 4.750905 5.68231 5.724 5.5033 4.84863 5.63721 5.75735 5.56048 5.0196 4.661705 5.63627 5.58888 5.614225 5.485435 5.41293 5.74243 4.64454 4.79012 4.78534 5.49966 5.46365 4.70882 5.19957 4.77973 4.72757 4.69226 5.636415 5.57964 5.70031 NA 5.64592 5.17601 5.46749 NA NA 5.70901 5.60858 5.3436 623761 Naphth[2 5.75715 5.80619 5.07261 5.73396 5.68176 5.736305 5.75146 5.6096 5.66644 5.31992 4.85149 5.23663 5.47863 5.289865 4.85738 5.47877 5.13534 5.63094 5.65438 5.04025 5.469735 4.80703 5.197865 5.63807 5.65625 5.74356 5.13397 5.66165 5.39429 5.54669 5.34605 5.070535 5.66183 5.618195 5.730925 5.55252 5.51016 5.73145 4.65573 5.1344 4.89201 5.74874 5.46364 4.72521 5.7172 4.9904 5.55255 5.56515 6.20667 5.535015 5.72747 NA 5.74081 5.77527 5.88523 5.62068 6.42323 6.21859 5.81406 5.6951 623879 623879 5.10706 5.38728 5.43903 5.52762 4.80153 5.19388 5.38597 5.46082 5.57478 5.31597 5.00105 5.17027 5.44753 5.16963 5.40008 5.1506 5.47277 5.2674 4.87835 5.365975 5.38379 5.42278 5.055785 5.29901 5.34613 5.32208 5.399705 5.61425 4.85183 4.88374 5.00411 5.15439 5.35107 5.285015 5.39777 5.874445 4.99633 4.82635 5.32634 5.38778 5.601105 5.36111 5.25461 4.75253 5.13952 5.1077 5.43336 4.28795 5.55787 5.37529 5.44515 NA 5.46021 4.66886 4.6271 5.50902 5.4583 5.56239 5.07091 4.9256 623925 623925 5.516875 5.72544 4.96933 5.175665 5.77499 5.7098 5.83337 5.69879 5.82102 4.835 4.95996 4.810135 4.972885 4.765735 5.7844 4.775535 4.99322 4.898875 5.18314 4.80365 5.36767 5.14864 4.89635 5.769555 5.840415 5.74026 4.72294 5.67826 5.72593 5.74577 4.92228 4.75741 6.29799 5.78307 5.8125 5.73254 4.91341 5.318275 4.900235 5.737795 5.84899 5.52272 5.53839 5.21431 5.69492 4.84863 5.80493 4.87559 5.84107 5.605645 5.36711 5.259 5.0578 4.7182 5.65047 5.65437 5.31631 5.60994 5.83351 5.55055 624158 624158 5.34641 4.528855 4.32788 4.53865 4.290685 4.86848 4.87986 4.62414 5.38688 4.45334 4 4.238235 4.53631 4.393725 4.842185 4.47723 4.587315 4.78535 4.49051 4.5125 5.191565 5.46108 4.32609 5.61839 5.918735 5.36055 4.63826 4.716825 4.232165 4.895805 4.372935 4.280225 6.32288 6.806885 6.02033 6.35748 4.287835 5.103275 4.3278 4.872355 4.653715 4.86231 4.46321 4.312245 4 4.574395 5.04995 4 6.394125 5.42191 5.454955 4.28232 4.702335 4.78565 4.57039 4.17433 5.23491 4.68507 5.03557 4.40574 624285 Benzamide 6.308415 7.21497 6.89724 7.207115 5.87571 6.40415 6.76925 7.05548 6.960015 6.37276 5.533065 6.34166 6.597785 6.538095 6.56943 6.181355 6.9616 6.581935 6.48562 6.76559 6.65144 6.70971 6.37054 6.83131 7.14563 7.07498 7.01137 7.07731 4.185865 6.277755 6.440085 6.636115 6.833875 7.39311 6.824565 7.19515 6.12594 6.14685 6.54891 7.34126 6.654055 6.536845 6.19314 4 6.3891 6.560205 6.46862 6.09179 7.49349 6.51055 6.918835 6.51583 6.708335 6.535805 6.551445 6.69382 7.669155 7.643985 4.50179 6.38296 624358 624358 5.67478 5.57343 4.84736 5.39108 5.17787 5.09389 5.42272 5.06912 5.78944 4.74283 5.12849 4.76643 4.826485 4.698255 5.629735 4.77066 5.00639 4.88965 4.91513 4.804435 4.805775 5.289265 4.90081 5.7591 5.72132 5.44369 4.85943 5.62791 5.53101 5.50177 4.948805 4.74796 5.79583 5.62373 5.680165 5.66482 5.28671 5.54468 4.76058 5.58364 5.70084 5.60049 5.40761 4.98835 4.95132 4.88568 5.69792 4.77655 6.0159 5.51843 5.57561 5.60122 4.90048 4.91779 5.69901 4.91466 5.52192 5.5166 5.61098 5.6479 624548 Benzamide 7.155705 7.53472 7.30383 7.70743 7.53239 7.504035 7.70183 7.56025 7.70141 7.402465 7.38448 7.28685 7.41515 7.55321 7.30928 7.46946 7.62549 7.45392 7.10327 7.68301 7.63811 7.53309 7.05786 7.40302 7.47775 7.311085 7.47838 7.60682 7.23372 7.37616 7.299505 7.53474 7.43849 7.52728 7.15456 7.32573 7.34951 7.24456 7.4862 7.46241 8.147085 7.42559 7 7.36657 7.371545 7.5866 7.28017 7.31942 7.67201 7.45751 7.576575 7.70358 7.537355 7.49841 7.32876 7.46597 8.095825 8.13396 7.152945 7.059805 624659 624659 7.79632 7.32004 7.26556 7.51358 7.40493 7.338165 7.34245 6.97643 7.84358 6.63236 7.32223 6.85232 6.85084 6.915775 7.24036 6.86265 7.41875 7.62093 7.49387 6.79698 7.44353 7.37903 7.311225 7.778605 7.89411 7.703705 7.38404 7.14975 7.75414 7.44732 7.13135 6.94527 8 8 7.513965 7.45138 6.94535 7.47288 6.74789 7.305115 6.97506 7.79963 7.43188 7.05556 7.718095 6.86363 7.874 6.75642 7.573995 7.71712 7.86928 7.01594 7.199995 7.03511 7.40482 6.88555 7.30005 7.41321 6.882985 8 624771 5H-Benzocyclohepten-5-one 5.66333 5.77987 5.03522 5.34847 4.90014 5.40839 5.5721 5.109 5.728675 4.74837 4.77084 4.75642 4.71046 4.76262 5.532595 4.78917 5.19127 4.78274 5.079295 4.758015 4.80427 5.23613 4.81363 5.32606 5.54277 5.30389 5.071005 4.94658 5.738065 5.24417 4.81901 4.77196 5.7589 5.50714 5.95705 5.752995 5.02447 5.32855 4.72537 5.07864 4.9695 5.27387 4.93732 4.7684 4.96854 5.17471 4.89637 5.11859 5.62516 5.59755 5.6405 NA 5.40196 4.8629 5.62339 5.13176 5.44864 5.53882 5.66873 5.59669 624806 .alpha.-Boswellic 4.89863 4.680195 4.808985 4.7365 4.68676 4.94071 4.71976 4.83929 5.076855 5.21772 4.79855 4.81764 4.948905 4.6843 4.682025 4.70304 4.650795 4.98293 4.746945 4.83725 4.7092 4.813805 4.81709 4.91122 4.890255 5.0796 4.94081 4.839825 4.851485 4.85816 4.78579 4.69636 4.6269 4.970405 4.83692 4.742105 4.738885 4.749585 4.71257 4.742845 4.71544 4.785195 4.899155 4.668415 4.693335 4.63301 4.739975 4.64464 4.546385 5.160785 4.82792 NA 5.18011 4.77972 4.68028 4.68811 4.81736 4.65881 4.52431 4.81158 624807 .beta.-Boswellic 4.72216 4.65451 4.6814 4.76765 4.66891 4.656135 4.68939 4.7897 4.71695 4.79955 4.72619 4.74149 4.63744 4.68187 4.717405 4.59588 4.645925 4.692135 4.65274 4.77368 4.710805 4.706 4.724105 4.76375 4.69533 4.80255 4.72894 4.72861 4.57953 4.61742 4.70488 4.74995 4.64913 4.58037 4.62086 4.50935 4.67029 4.67319 4.74837 4.678805 4.67032 4.588765 4.7882 4.72412 4.69198 4.63963 4.73839 4.73493 4.55439 4.704115 4.59264 4.77022 4.81188 4.74702 4.679205 4.59011 4.702805 4.678635 4.602015 4.74767 624947 624947 4.68326 4.73889 4.060095 4.85712 4.61347 4.528815 5.088435 4.39499 4.57952 4.48607 4 4.28956 5.271265 4.72801 4.6581 4.29895 5.207255 4.84092 4.30121 4.70581 4.85709 4.59315 4 5.09317 4.8491 4.29417 4.46767 5.109355 5.1391 5.14532 4 4.93736 4 4.62197 4 4.206345 4 4.18717 4.598225 4 4.32995 4.64604 4.28114 4.65667 4.282145 4 4.70079 4 4 4.625905 4.184305 4.4673 4.220625 4 5.035865 4 4.4036 4.5011 4 4.862855 624982 624982 5.82595 5.75623 5.42895 5.44095 5.52297 5.46449 5.738215 5.658945 6.05223 4.871335 5.02153 4.79374 5.22899 4.82641 5.76655 4.96418 5.3755 5.44484 5.6547 4.90633 5.509435 5.659885 5.28639 5.7144 5.790485 5.76729 5.3096 5.602005 5.713855 5.71261 5.36391 4.828295 6.482545 5.644515 6.231645 5.91729 5.186195 5.722555 4.7543 5.698585 5.717535 5.758715 5.626885 5.59879 5.464755 4.93805 5.75887 4.790985 6.166225 5.77515 5.6202 NA 5.38705 4.88029 5.74574 4.86259 5.41821 5.52579 5.44405 5.62622 625133 625133 4.85044 5.33915 4.74616 4.75548 4.81674 4.73132 4.80387 4.79336 5.708255 4.71607 4.74107 4.69191 4.72305 4.68352 5.161705 4.73701 4.71637 4.7775 4.77802 4.716995 4.75231 4.74408 4.77279 5.17781 5.36404 5.07648 4.75789 4.83885 4.64232 4.84322 4.75512 4.56885 5.5895 5.468715 5.59224 6.544615 4.78205 4.82875 4.8109 4.81982 5.128695 4.95023 4.7991 4.76581 4.84596 4.69865 5.38493 4.70808 5.71559 5.73197 4.81321 NA 4.78226 4.74034 4.68048 4.46233 4.72761 4.76561 4.74007 4.66023 625154 625154 5.29582 5.71311 4.91757 5.12447 5.302335 5.48146 5.70225 5.43553 5.76462 4.702 5.423805 4.74652 4.67724 4.61457 5.745385 4.78042 6.47942 4.74663 4.84548 4.76171 5.024865 5.50458 4.93034 5.69626 5.81013 5.68539 4.84494 5.52915 5.179715 5.49682 4.94826 4.6968 6.43956 5.70826 5.8823 5.91859 4.78947 5.40544 4.76506 5.61594 5.79101 5.65367 5.440265 5.17878 5.38716 4.73165 5.81883 4.68157 6.28301 6.05922 4.9748 NA 4.80248 4.74735 NA 4.77341 4.80436 5.3 4.92417 7.11128 625174 Propanedinitrile 5.29227 4.3748 5.132725 4.55776 4.440935 4.63084 4.51115 4.55477 4.8209 4.43627 4.016565 4 4.48999 4.805405 4.57204 4.32223 4.52026 4.53346 4.5308 4.42089 4.77476 4.59052 4.21336 4.79453 5.25317 4.506725 4.48173 4.2743 4.21693 4.54311 4.25114 4.28606 5.42245 5.92398 5.42118 5.95553 4.44444 4.44686 4.145855 4.47908 4.572285 4.42032 4.39446 4.24978 4.17955 4.55461 4.43815 4.43799 4.87828 5.43069 5.34241 5.17767 5.55367 4.64051 5.57534 4.5767 4.75471 5.78657 5.73205 4.73421 625301 625301 4.77152 4.35125 4.68274 4.52186 4.68217 4.66143 4.6568 4.67342 5.76154 4 4.41975 4.045335 4 4.387285 4.74838 4 4.34512 4.55283 4.68522 4.73406 4.55337 4.72478 4.20223 4.71496 4.76705 4.50544 4.5807 4.79467 4.70844 4.38217 4 4 4.60834 4.43801 4.65947 4.68654 4.73863 4.75783 4.36964 4.69419 4.73421 4.7091 4.77496 4.58424 4.76071 4.28133 4.78276 4.2983 5.11708 4.56966 NA NA NA 4.38446 NA NA NA NA NA NA 625350 Benzenepropanoic 5.16908 4.94521 4.66858 4.629025 4.44017 4.75679 4.42525 4.94813 4.8286 4.85714 4.41034 5.1022 4.77972 5.58896 5.572375 5.385025 5.38036 5.401525 5.017865 5.075805 5.22344 4 4.09903 5.44335 4 4 4 4.846135 5.77073 5.39019 4.61326 5.30407 4 4 4 4.15657 5.70708 5.12902 5.22218 4.610485 5.63106 5.684775 4.944175 4.66626 4.14838 5.540275 4 4 4 4.324895 4.49089 5.46834 4.76463 4.26242 4.8229 4.45811 4.46306 4.5162 4.45175 4.81765 625492 Bismuth 6.48434 6.722015 6.386845 7.04027 6.63455 6.937365 6.72806 6.77127 7.4527 6.115085 5.84405 5.774265 6.207655 5.71502 6.67858 5.778925 6.23529 5.855655 6.36696 5.77643 6.58607 6.37025 6.191905 7.376765 7.038235 6.69692 5.867405 7.186465 6.79371 6.353915 6.40315 5.739035 7.4662 7.23367 7.12511 7.261675 5.88003 5.86138 5.828645 6.74448 6.67754 6.563345 5.88783 6.557265 6.80539 6.01435 7.3904 5.844175 7.39798 6.86143 5.86176 5.76252 5.78249 5.74166 5.76654 5.53813 5.74224 5.79188 5.84171 6.48318 625495 1-Piperidinecarbodithioic 4.84077 5.73977 5.50877 6.29402 5.80136 4.81104 5.18088 7.28863 6.920275 4.81603 4.738875 4.86003 7.18188 4.69054 4.790455 4.76974 5.02113 4.91367 4.90066 4.77411 4.92797 6.189905 4.74361 8 7.53796 4.90215 4.757645 4.75565 4.83427 4.84301 4.82069 4.70232 8 7.05175 6.446945 6.8033 4.76037 4.83113 4.80365 4.74756 4.83282 4.85576 4.78131 4.7523 4.7779 4.783005 8 4.633065 8 7.16683 4.82615 4.848 4.83073 4.72679 4.82022 4.59941 4.78011 4.85791 4.92939 4.92044 625497 4-Thiomorpholinecarbodithioic 6.27249 5.704035 4.987 6.27562 5.60016 6.42912 5.71541 6.37613 5.88651 5.38218 4.506285 4.72207 6.13282 4 4.6966 4.12912 4.66692 5.16393 4.85772 4.46975 4.76356 6.47795 4.83361 6.3614 6.57504 4.857835 4.30168 4.86465 6.58109 4.70652 4.66384 4.13071 7.48622 6.48676 7.10104 6.595195 4.72787 4.77362 4.85556 4.68411 4.70911 4.77441 4.67237 4.61711 4.81222 4.35844 7.32266 4.58897 7.14887 6.39903 4.79648 4.42688 4.21918 4 4.76268 4.37194 4.57828 4.68947 4.91678 4.70939 625498 4-Morpholinecarbodithioic 6.18744 6.15133 5.51551 6.494005 5.85677 7.34882 5.93629 6.11058 7.44441 4.97424 4.710405 4.926925 6.532415 4.7213 5.103 4.8201 5.1628 5.32546 5.100355 4.71179 4.95748 7.050335 5.9592 7.31897 6.8693 6.3858 5.540015 6.38406 6.288335 4.81884 6.05599 4.72799 7.53679 6.931225 7.5104 7.37332 4.76059 4.85161 5.318105 5.04621 6.73241 5.49653 4.791075 4.74354 5.120375 4.78982 7.473565 7.05795 7.27461 6.336585 6.20471 5.06038 5.655405 4.56554 5.33608 5.02685 6.2856 5.50701 5.30091 6.53267 625499 Thiomorpholinecarbodithioic 4.99768 6.40249 5.47417 6.484695 5.87282 7.37387 5.82895 6.29804 7.75646 6.36588 4.73442 4.81123 6.795725 4.62543 4.97734 4.81953 4.85231 5.787605 4.81074 4.86517 5.06419 7.532755 5.753195 7.44286 7.15091 4.87759 5.25 7.45253 7.54274 4.84865 7.24332 4.55016 7.84031 7.38215 7.64189 7.71939 4.74937 4.82682 4.850565 4.818725 5.99898 4.86204 4.78966 4.68295 4.924345 4.67306 7.70599 7.50245 7.52027 5.87011 NA NA NA NA NA NA NA NA NA NA 625501 1-Piperidinecarbodithioic 4.942775 5.78399 5.217215 6.19179 5.51274 4.82999 5.26183 7.05307 8 4.76209 4.79881 4.785795 6.87962 4.732355 4.77618 4.77615 5.11073 5.71358 4.934725 4.856095 5.093305 6.18663 4.74208 8 6.243965 5.06541 4.80058 4.82974 6.10286 5.00166 4.94405 4.733255 8 8 8 8 4.826285 4.92105 4.869355 4.806985 4.81181 4.99549 4.85562 4.8259 4.88731 4.72798 8 4.67911 8 7.37273 4.8155 4.791625 4.85476 4.723755 4.93327 4.638755 4.83076 4.86539 4.82028 4.82642 625502 4-Morpholinecarbodithioic 5.494755 5.68618 5.48659 6.00923 5.92512 6.54933 6.08971 6.42685 5.9412 5.3001 4.63928 4.8183 6.24549 4 4.81058 4 4.83876 5.42436 5.32398 4.48627 4.98232 6.53136 5.36873 6.72283 6.56576 5.546545 4.56305 4.94007 6.41393 4.64163 4.70567 4.29822 7.5305 6.37278 6.7049 6.90265 4.28819 4.62477 5.239545 4.79745 6.00747 4.84456 4.25335 4.51799 6.03882 4.295755 7.26363 4.51158 6.93511 6.110655 4.81585 4.47533 4.40255 4 4.70436 4.36834 4.63498 4.76015 4.82909 4.83947 625542 625542 4.99769 5.38974 5.01252 5.26769 5.684505 5.84605 5.60357 5.39535 5.64992 4.76341 5.62914 5.34612 5.10159 5.18219 5.66505 4.90572 5.19575 5.07183 5.11 5.19354 4.8791 5.76138 5.326685 6.328145 5.73369 6.55615 5.00685 7.89316 5.15933 4.96748 5.22643 5.31133 6.79808 6.82426 8 6.22415 5.50852 5.22256 4.76445 5.45713 5.11808 5.24042 5.4995 5.08741 5.6027 5.01685 8 4.93638 7.84477 7.11754 5.18204 4.97487 5.30361 5.26809 5.22099 4.81997 4.98813 5.125 4.94795 7.83673 625587 625587 4.771 4.70851 4.23963 4.9859 4.474545 5.105525 4.55199 4.90227 4.34061 4.65127 4.350645 4.75809 4.973505 4.597445 4.94968 4.915965 4.81144 4.45033 4.27902 5.003555 4.50521 4.85805 4.36018 5.14124 4.87793 4.98176 4.74668 5.04352 4.7249 4.70351 4.19286 4 4.63297 5.17609 4.819855 5.28909 5.07515 4.6737 5.19513 5.2079 5.070565 4.31163 5.143155 4.684 4.60682 4.84111 4.468255 4.36478 4.95582 5.12859 7.7439 4.87433 4.80761 4.46558 4.44323 4.41413 4.69 5.12234 4 4.48889 625624 625624 5.65811 5.6438 4.90958 5.1179 4.8439 4.9293 4.96026 4.95412 5.91215 5.67753 5.263945 4.77564 5.67723 4.76343 5.611905 4.78387 4.87406 4.83712 4.92524 4.88599 5.08931 5.67127 5.297105 5.76296 5.7011 5.663895 5.52739 5.70349 5.83275 5.28567 5.83692 4.705 5.9304 5.81369 5.80649 6.28604 4.92618 4.81206 4.7544 6.193125 5.98889 5.03684 5.75479 4.87141 4.88011 4.70548 5.78134 4.6857 6.69547 5.64829 4.88034 4.99884 5.24691 4.73355 4.92225 4.72315 5.20067 5.25726 4.9809 5.73963 625985 625985 5.317755 4.384575 4.83335 5.33193 5.53113 5.01805 5.58761 5.424295 5.38529 4.7545 4.247225 4.73024 4.77586 4.55453 5.62786 4.51455 4.30401 4.72702 4.67953 4.63544 4.714965 5.41724 4.74181 5.39528 5.68068 5.50243 5.237465 4.886865 4.96966 5.69774 5.40173 4.65151 5.59211 5.530965 5.80416 5.71041 4.96701 5.242155 4.876405 5.50792 5.73015 5.38431 5.250845 5.41812 5.54172 4.46238 5.565265 4.70639 5.72222 5.651655 NA NA NA NA NA NA NA NA NA NA 625992 9(10H)-Acridinone 4.71951 4.62976 4.70569 4.670715 4.70077 4.31366 4.348765 4.689695 4.79365 4.06636 4 4.30564 4 4.291575 4.691335 4.081715 4.652245 4.378185 4.74748 4.69557 4.66359 4.50772 4.38357 4.50489 4.70816 4.47135 4.22761 4.72042 4.77774 4.70717 4.426285 4.00938 4.945435 4.6713 4.763055 4.64423 4.283955 4.73215 4.14706 4.52145 4.719385 4.61262 4.517565 4.69517 4.50016 4 4.76577 4.179245 5.267525 4.59185 4.72591 4.70683 4.609715 4.225685 4.79378 4.656485 4.731335 4.726505 4.64782 4.74067 626030 Naphth[2 5.5321 5.715285 5.57478 5.7763 4.905195 5.71057 5.49459 5.559405 5.527275 5.21393 4.68606 4.815275 5.24221 4.79497 4 5.16373 5.238555 5.438905 5.41104 5.221955 5.3531 4.772525 4.79033 5.258645 5.384725 5.21831 5.0819 5.5752 4.37002 5.290975 4.97637 4.672585 4 5.393085 4 4 5.35813 5.26641 4.64085 4.18352 4.877835 4.64972 5.337705 4.563885 5.582805 4.732475 4.811365 4.86136 4 4.51552 5.38305 5.30527 5.26536 4.99095 4.3882 5.174595 5.67136 5.67018 5.462025 4.306895 626162 Discorhabdin 7.1296 7.382365 6.78625 6.83429 6.71267 6.88715 7.15253 6.83495 7.83193 6.05208 6.636475 5.873 6.33679 5.683005 7.003365 5.74548 5.85916 6.3565 6.48044 5.8918 6.78421 7.6198 6.20036 7.52379 7.51195 7.222625 6.28967 7.74215 6.97244 7.38102 6.77631 5.8089 7.71695 7.60796 7.54901 7.364665 6.702 6.79135 5.899785 6.8272 7.31542 6.93955 6.82542 6.50444 6.88146 5.9119 7.78416 6.152725 7.8982 7.48055 7.57588 6.84681 6.512945 5.83615 6.87011 6.53172 7.06109 6.88503 6.66379 6.84263 626307 Austrocortirubin 5.522425 5.911375 5.47142 5.8702 4.990025 5.63282 5.53609 5.75396 5.38099 5.54743 5.06952 5.54759 5.84566 4.98442 4.93853 5.37655 4.835355 5.31799 5.30965 5.39846 5.514425 5.55751 5.56074 5.53491 5.40724 5.40684 5.54118 5.61866 5.44439 5.31184 5.33333 4.77088 5.47765 5.39549 5.17658 5.536185 4.84943 5.43139 5.09006 4.823925 5.0856 5.07188 5.22206 4.63401 5.58201 4.772365 5.6157 5.17933 5.80163 5.249625 5.45379 5.40489 5.40592 5.33142 5.08817 4.74057 5.7354 5.72603 5.10972 5.155805 626369 Illudin 8.76277 8.3438 8.84356 8.7306 8.47836 8.65187 8.32654 8.61524 9.303275 8.52672 8.18632 7.85137 8.93213 8.6316 8.70653 8.45169 8.1886 8.71522 9.03643 8.70669 8.11547 8.72888 8.65938 8.87287 8.71212 8.78602 8.4897 8.36688 8.68759 8.72453 8.42563 8.40815 8.41921 8.33875 8.75887 8.46011 8.69675 8.36362 8.10898 8.6434 8.86947 8.52901 8.58404 8.48383 8.53962 8.51819 8.72239 8.160665 8.57082 6 NA NA NA NA NA NA NA NA NA NA 626370 Illudin 8.25319 7.71618 7.92167 8.19323 7.609805 8.06506 7.84959 7.80671 8.051945 7.81881 7.40844 7.37536 8.61809 7.71871 7.645745 7.55859 7.82111 8.31425 8.07862 8.28376 7.61789 8.60116 8.29464 8.48421 8.3555 8.2863 7.71644 7.86969 8.25804 7.92342 7.63649 7.45776 8.29282 8.30468 8.40022 8.60372 7.73646 7.59277 7.58227 8.07864 8.139985 8.12241 8.23014 7.49543 7.82226 7.43319 7.80978 7.72753 8.50167 6 NA NA NA NA NA NA NA NA NA NA 626482 1 6.224315 6.557465 5.70811 6.56963 5.89706 5.9695 6.54674 5.83328 5.85839 5.79273 5.134335 5.8407 5.89022 5.51035 5.02917 5.64495 5.803575 5.55016 5.66214 5.76787 5.799915 6.20888 5.80589 6.42539 6.08216 6.45698 5.62748 5.988725 5.715905 5.96855 5.68066 4.97571 5.78036 5.82925 5.78634 5.72003 5.43104 6.05686 5.673235 5.453015 5.75317 5.49031 5.73069 5.538545 6.63448 5.60244 6.653965 5.60006 6.28546 5.824665 6.40901 5.82057 5.57936 5.99469 5.75362 5.57796 5.90302 5.78117 5.68469 5.67054 626540 1 6.897735 6.435575 6.28172 6.4382 6.260095 6.929015 6.42673 6.703025 7.002955 6.629385 6.0119 6.53245 7.176565 6.029755 6.79967 6.210055 6.517615 6.54355 6.727545 6.350275 6.721345 6.908345 6.411405 7.188085 7.38879 6.37835 6.385635 6.174815 6.508975 6.77043 6.62617 6.333895 7.205265 6.871325 8 8 6.246315 6.822745 6.24471 6.45377 6.45652 6.86554 6.892655 6.02412 6.16917 6.646045 6.89062 6.28712 7.2115 7.105705 6.67122 6.50463 6.69471 6.47787 6.19252 6.72541 6.52563 6.50675 5.91485 7.44588 626578 (-)-Roehybridine 4.72167 4.712625 4.7447 4.77796 4.71267 4 4.731325 4.64627 4.51619 4.126015 4.15857 4.184675 4.39776 4.15119 4.65501 4 4.779415 4.49334 4.328985 4.668345 4.82341 4.585475 4.4682 4.4901 4.466865 4.5172 4.34639 4.247135 4.538295 4.52823 4.0795 4.086375 4.61234 4.69963 4.49298 4.79558 4.680375 4.129845 4.47251 4.40663 4.713145 4.24946 4.431005 4.540965 4.75977 4.330765 4.7754 4 4.67551 4.48555 4.166425 4.312005 4.31254 4.09043 4.55201 4.705105 4.730125 4.728165 4.59856 4.688045 626874 Cyclopentanone 5.70361 5.33665 4.93376 4.93451 5.468345 4.883995 5.35704 5.33222 5.73136 4.68708 4.73556 4.74345 4.71169 4.70239 5.60761 4.746175 4.98235 4.80886 4.98735 4.79041 5.050245 5.39708 5.45201 5.56779 5.6617 5.549745 5.48211 5.43391 5.26035 5.44347 4.83278 4.71843 5.790415 5.70612 5.60409 5.79953 4.80123 5.62876 4.71521 5.1127 5.50094 5.63402 4.84688 5.43788 4.896515 4.79824 5.66609 4.76109 5.84108 5.79294 5.66924 5.19797 4.92786 4.77062 5.42193 5.0013 4.98137 5.35453 4.874845 5.55404 626876 2-Cyclopenten-1-one 5.71387 5.188035 4.886765 4.78933 4.981575 4.89382 5.32778 4.941595 5.5784 4.73852 4.72693 4.7537 4.7249 4.678425 5.58591 4.774845 4.79374 5.159175 4.83364 4.755875 4.78963 5.22805 5.46707 5.35429 5.694585 5.55734 5.53473 4.861645 4.726635 5.14044 5.014785 4.74279 5.625985 5.646915 5.64687 5.72961 4.77492 4.911745 4.73264 5.73527 5.206035 5.748045 4.77781 4.80808 4.84593 4.75863 5.567825 4.80842 5.6665 6.47815 5.91212 4.82834 4.82577 4.77957 4.97744 4.73693 5.08972 5.24006 4.70973 5.73132 626878 Cyclopentanone 5.79534 5.71308 5.457625 5.04592 5.7464 5.59826 5.75166 5.68882 5.87901 5.26889 5.829705 4.7828 4.97002 4.68471 5.71017 5.31039 5.6161 5.75208 5.65313 4.80306 5.7208 5.71062 5.81632 5.75676 5.75965 6.53105 6.04302 5.68967 5.46013 5.73632 5.60791 4.769 6.02818 6.1894 6.017245 6.44057 5.68879 5.70126 4.74868 6.127925 5.80216 5.78371 5.74279 5.96588 5.75817 4.82181 5.74838 5.20759 5.91763 6.744455 6.25481 5.60726 4.85004 4.80847 5.54996 5.49816 4.95785 5.61694 NA 5.88332 626879 Cyclopentanone 5.72641 4.95604 4.87791 4.84144 5.3407 5.03189 5.31574 5.187765 5.704925 4.710045 4.79802 4.743445 4.78989 4.711155 4.94412 4.783865 4.78971 5.51976 5.224905 4.884785 4.810855 5.355595 5.26577 5.40456 5.59179 5.64234 5.66991 5.16708 4.71963 5.46753 4.91048 4.7058 5.700395 5.58533 5.53007 5.72977 4.776785 5.594715 4.8173 5.62929 5.493305 5.695565 5.01078 5.57614 4.922055 4.74367 5.530025 4.78175 5.84286 6.17446 5.667615 5.272965 4.939595 4.69716 5.1915 5.15549 5.09534 5.26218 4.72353 5.543915 626880 Cyclopentanone 5.70173 5.62144 5.07312 4.96673 5.62023 5.223855 5.72977 5.36842 5.76874 4.721045 5.48615 4.77432 4.75349 4.75133 5.60005 4.74771 4.830475 4.85786 4.93063 4.72265 4.84073 5.51197 4.97063 5.74697 5.66316 5.711555 5.40094 5.58599 5.27459 5.43566 4.84254 4.73949 5.90969 5.95942 5.81404 6.031115 4.81776 5.2933 4.78633 5.79582 5.68009 5.70699 5.5055 5.57907 5.50381 4.894275 5.7205 4.75709 6.336385 5.96038 5.867215 5.434395 5.04198 4.79364 5.38274 5.147955 5.29537 5.567285 5.68695 5.669625 627168 Pyrazolo-acridine 6.46163 5.99681 6.26662 6.22384 5.64303 6.13071 6.1669 5.98678 6.43842 6.41911 5.998965 6.556735 6.64443 6.22366 6.11696 6.17068 6.13333 6.38671 6.40204 6.57118 6.21284 6.86186 6.137605 7.27788 6.882 6.26647 6.49691 5.97892 6.14513 7.03925 6.29442 6.02636 6.204585 6.51498 7.21314 6.76126 6.38187 6.700735 5.811295 6.31634 6.86949 6.76776 6.65851 6.01976 5.957755 6.16491 6.56814 6.00733 5.95591 6.51641 6.47815 7.00554 6.46444 6.31534 5.93247 6.2204 6.22729 6.29883 NA 6.5114 627371 2 5.2021 5.75732 5.07037 5.53333 5.6824 5.4856 5.77304 5.40004 5.77503 4.82188 5.37949 4.81133 5.23416 4.76259 5.63874 4.78822 5.1423 4.782125 5.43392 4.87789 5.72097 5.06765 5.45995 5.75047 5.8194 5.62627 4.84629 5.78014 5.69714 5.7543 5.40398 4.7831 5.89839 5.910955 5.85797 5.84538 5.2599 5.33063 4.772885 5.61941 5.66912 5.709735 5.6788 5.65253 5.71713 4.60654 5.72541 4.90226 6.44645 5.76374 5.68703 5.67084 5.62084 5.6446 5.79071 4.7583 5.67369 5.72332 5.551795 5.499455 627505 9-Methoxy-2-methylellipticinium 5.073765 5.94758 5.52278 5.728065 5.48446 6.207 4.78424 5.468485 6.26458 6.35036 5.88333 6.18709 5.76559 6.33736 5.57737 6.667585 6.61742 6.755495 6.821305 6.62269 6.48613 5.32999 5.53696 5.73537 5.94858 4 5.82649 5.59152 5.592705 6.57549 5.59381 5.10059 5.7223 5.5582 6.23617 5.73734 4.55895 6.86178 5.35339 5.305895 5.958435 6.50122 4.86046 4.84347 4.93674 6.56732 6.0024 4.98723 4.61538 4.704585 5.73254 4.562045 5.44309 5.51795 5.09551 6.71081 4.81221 4.861 5.72913 6.1359 627740 627740 4.547845 4 4.33315 4.58973 4.25848 4.44882 4.321595 4.3498 4.69787 4.34331 4.50777 4.0625 4.40665 4.35814 4.79546 4.04081 4.29358 4.19887 4.47246 4.40353 4.50334 4.47851 4.23204 4.62305 4.48654 4.45989 4.51279 4.41165 4.51667 4.49737 4.2093 4 5.16737 5.06504 5.15346 5.135335 4.54348 4.33124 4.17973 4.46 4.31842 4.43541 4.50666 4.2076 4.65 4.34638 4.49661 4 5.12803 5.30965 4.55678 4.57606 4.56642 4 4.36748 4.68951 4.43655 4.49018 4.47637 4.49901 627745 627745 5.71668 5.57312 5.331375 5.72989 5.25106 5.51331 5.57944 5.647185 5.80086 5.40909 5.19992 5.03663 5.42172 5.25426 6.107355 5.23394 5.3849 5.51914 5.45201 5.18407 5.58468 5.74456 5.435005 6.54661 6.32434 5.91583 5.762365 5.67596 5.24625 5.574965 5.34123 5.32196 6.439615 6.46093 6.4503 6.54913 5.65515 5.33284 5.50263 5.5117 5.763 5.98314 5.39408 5.96448 5.89773 5.3346 6.32083 5.03774 6.56386 6.39376 6.12389 5.43054 5.27917 5.3865 5.270875 5.246435 5.60326 5.5465 5.507405 7.65468 627777 1 6.409025 6.29698 6.27613 6.78169 6.346415 6.52261 6.84527 6.43151 7.47314 6.3678 5.8968 6.30774 6.4762 6.273155 7.185205 6.25024 6.385525 6.46182 6.33998 6.53531 6.67763 6.68054 6.56788 6.95581 6.968695 6.539045 6.5334 6.8486 6.048435 6.52102 6.429465 6.48873 7.013775 7.41998 6.656645 7.46164 6.155605 6.31073 6.406635 6.205185 6.35714 6.403525 6.310625 5.724325 5.80141 6.627785 6.899795 6.46983 7.56479 6.881525 6.44635 6.98903 6.59349 6.46845 6.52251 6.4422 7.5183 7.60889 6.08185 NA 627787 2 6.62688 6.98344 6.73402 6.934565 6.62991 6.71208 6.79588 6.731995 6.19325 6.71161 5.713905 6.75139 6.616955 6.71412 5.80028 6.079515 6.68515 5.82798 5.934005 6.248395 6.542305 5.94586 6.51751 6.608015 6.626505 6.589965 6.46741 6.60737 5.81541 5.89693 5.88872 5.60171 5.63298 5.829405 5.772395 5.77321 5.789885 6.725295 6.34673 6.47166 5.92214 6.006565 6.410125 5.68331 6.86852 6.4025 6.64523 5.80805 6.43565 5.8174 NA NA NA NA NA NA NA NA NA NA 627991 Benzo[g]pteridine-2 5.68398 5.705475 5.692595 5.778695 5.628395 5.72087 5.72366 5.7211 5.672315 4.90244 4.832875 4.899055 4.831055 4.724065 5.108815 4.76672 4.89771 4.864845 5.67858 4.87451 4.78999 5.60007 5.45814 5.59649 5.70328 5.75682 5.314065 5.7444 5.763875 5.678615 5.72146 4.7617 5.337395 5.64451 5.625905 5.51335 4.86345 5.12246 4.82485 4.863035 5.499355 4.89265 4.78396 4.70259 5.73758 4.71962 5.68462 4.73384 5.60699 5.57426 5.86473 4.916325 4.976935 4.80301 5.677465 5.606485 5.73947 5.753935 5.65706 6.035955 628083 Lactose/Amide/PEG 4.569905 4.487885 4 4.62593 4.68587 4.51296 4.12723 4.4252 4.04327 5.10157 4.0027 4.125365 5.42761 4.85692 4 4.021305 4.10437 4 4.05983 4.1593 5.49273 4.93979 6.00496 5.11517 4.05166 4.60962 4.59561 4.02719 4.479645 4.352435 4.53443 4 4 4.28129 4.4652 4.795185 4.71311 4.24446 4.49576 4.15497 4.050985 4.81647 5.03237 4 4.153005 4 4.87339 4 4.23223 4.804735 5.259155 4 4.02788 4.75524 4 4.03906 4.625 5.01455 4 4.03571 628114 9-N(N'-chloroethyl-N'-ethyl-1 6.42823 5.98942 5.93999 5.951125 5.817045 6.314505 5.927035 6.209945 6.39159 6.2117 5.88753 6.13909 6.5792 5.954305 5.928615 5.8535 5.951865 6.11756 6.3558 6.06848 6.396145 6.539445 6.072405 6.570265 6.814315 6.12144 6.152875 5.91768 5.97215 6.45871 6.27271 5.86138 6.974785 6.596385 7.42641 7.40856 5.84628 6.21955 5.90917 6.44193 6.293975 6.5959 6.89566 5.800995 5.80228 6.08784 6.71845 5.835505 6.775575 7.096375 6.423015 5.869965 NA NA NA NA NA NA NA NA 628115 9-N(N'-chloroethyl-N'-methyl-1 6.48116 6.410155 6.080095 5.934075 5.73983 6.05805 6.05186 6.163695 6.65683 6.26729 5.84772 6.12233 6.49169 6.032385 6.10084 5.91525 5.95619 6.32115 6.31445 6.1066 6.45217 6.43795 6.21307 6.58119 6.74253 6.317685 6.02212 5.94189 5.99803 6.37463 6.34213 6.07077 6.52885 6.44137 7.33881 7.4771 5.93886 6.36768 5.97108 6.71761 6.31679 6.52256 6.5703 5.81305 5.82202 6.0625 6.5067 5.85511 6.65888 6.531535 6.17566 6.04441 6.68887 5.95226 5.93885 NA 6.43938 6.46411 6.04595 NA 628507 1H-Benzo[f]pyrrolo[1 5.926075 6.509685 5.766965 6.283095 5.514825 5.95203 5.79118 5.76884 5.694075 5.657575 5.299595 5.53321 5.596905 5.347665 5.494005 5.35763 5.52573 5.40105 5.566455 5.648125 5.520685 5.45384 5.35868 5.68676 5.66835 5.66774 5.632445 6.49692 5.76748 5.681325 5.739975 4.87903 5.51145 5.495035 5.559105 5.60904 5.43728 5.65723 5.30641 5.36173 5.62586 5.402455 5.47212 5.14515 5.87837 5.4602 5.646445 5.4753 5.74396 5.64415 5.80377 5.57025 5.70853 5.65727 5.681395 5.46063 6.35551 6.18461 5.67929 5.48247 628561 4H-1 6.58773 6.72793 6.87041 6.01692 6.49137 6.47323 6.32604 6.438655 7.31915 5.58171 5.84438 5.86045 5.76075 5.87105 6.90966 5.95603 6.933955 6.31646 6.55057 5.87306 5.95016 5.94663 6.06807 6.01536 6.65525 6.04302 5.907735 5.90488 5.89032 6.03944 5.87075 5.78177 7.57692 7.10886 6.60899 6.26064 6.37314 5.96581 6.55544 7.12921 6.95176 6.38716 6.18829 6.29341 6.26117 6.06714 6.226195 5.75201 6.88776 7.06608 6.8193 5.75497 6.00643 5.89916 6.73368 NA 5.8005 6.17532 6.82436 NA 628562 4H-1 5.39219 5.51531 5.20521 4.848915 5.32139 5.447915 4.866195 5.20713 6.186845 4.77788 4.85398 4.764805 4.763225 4.70712 5.663775 4.74041 5.05 4.87011 5.0329 4.731305 4.845285 4.830135 4.75887 4.8264 5.55444 5.097555 4.80274 5.153645 4.88684 4.879855 4.792195 4.74726 5.670995 5.551755 5.335105 5.52145 4.827595 5.053265 4.82964 5.245365 5.67767 5.64368 4.81805 5.09051 4.90498 4.71136 4.88495 4.76662 5.586915 5.601705 5.40288 5.041765 4.90606 4.80965 5.29153 5.3913 5.16891 5.530895 5.704375 5.89235 628593 628593 5.82897 5.47486 5.75782 5.64588 5.58506 5.82801 5.83262 6.01605 6.1677 5.47996 5.38011 5.22383 5.57517 5.00609 5.42645 5.05687 5.403895 5.72223 5.29043 5.40659 5.63627 5.68622 5.62625 5.95006 5.91199 5.63486 5.69291 5.59512 5.73018 5.48907 5.66081 4.82032 6.48782 6.11089 5.81407 6.09778 5.48013 5.48782 5.2306 5.42469 6.553245 5.4474 5.40017 5.06783 5.84813 5.53056 5.747825 5.43472 6.49734 6.057095 5.50706 5.00243 5.41453 5.13732 4.92594 NA 5.1046 5.0574 5.55523 NA 628663 Benzoic 6.83597 6.35545 5.848495 6.80564 5.75931 6.81848 6.43593 6.38483 6.10575 7.95647 5.95835 5.58816 8 7.205095 5.95708 6.63006 6.316445 6.851605 6.4311 6.863545 6.572285 5.88001 5.94678 6.171095 6.63844 6.27333 5.97029 5.76219 5.558895 6.40837 5.87663 6.20593 7.38137 6.136345 8 7.57109 6.188015 6.54802 6.50984 6.86649 5.87535 6.695305 7.130705 5.898085 5.69408 6.907765 5.85884 5.98164 7.59626 6.815235 6.91787 5.85787 5.79391 6.58842 5.77592 NA 5.51346 5.57486 5.7836 NA 628672 Furo[3' 6.3617 5.826505 5.592955 6.21827 5.48154 6.55601 6.163515 6.2553 5.93069 7.07941 5.79344 5.334545 7.994385 6.69212 6.04421 6.2936 6.32002 6.502865 5.899455 6.56109 6.284475 5.780595 5.70223 5.80345 6.068855 5.768435 5.790625 5.513755 4.99753 5.99685 5.587145 5.94595 6.881185 5.88535 8 7.47293 5.8638 6.37996 6.20879 6.50899 5.84262 6.454195 6.94241 5.75234 5.46622 6.67476 5.76134 5.726535 6.939045 6.33085 6.04261 5.47024 5.66536 6.44088 NA NA 5.21422 5.38826 5.63888 NA 628674 Furo[3' 6.22367 5.63228 5.52262 6.28705 5.89474 6.367625 6.0671 6.35769 6.34676 6.974595 5.39941 5.19948 8 6.66246 6.0252 5.6152 6.48318 6.004345 5.79966 6.44717 6.34298 5.88941 5.8195 6.20042 5.82355 5.84923 5.69071 5.54358 5.042985 5.88202 6.10283 5.68814 6.6258 6.21215 7.35198 7.43866 6.2298 6.13497 6.6583 6.78074 6.399505 6.19104 6.60269 5.69419 5.81595 6.55778 5.98966 5.53 6.79699 6.25124 6.49158 5.971875 6.03747 6.12876 4.7849 NA NA NA 5.40896 NA 628676 Furo[3' 6.47128 5.92128 5.36006 5.93971 5.42768 6.437755 6.240735 6.15827 5.88636 7.27687 5.70017 5.31828 7.49014 6.59993 6.45294 6.47186 6.18557 6.61681 6.00168 6.56601 6.30524 5.65912 5.781675 5.81217 5.965665 5.72627 5.69086 5.42129 4.899805 5.90924 5.331965 6.13452 6.82109 5.69938 7.40506 7.29677 5.97594 6.38732 6.282525 6.63483 5.7165 6.50624 6.441175 5.472305 5.32419 6.51039 5.432115 5.53602 6.60866 6.39959 7.346295 5.42569 6.35147 6.9161 4.90854 NA 4.96771 5.40646 5.60167 NA 628678 Furo[3' 6.1385 5.787085 5.517885 6.10647 5.697905 6.29401 5.85639 5.97015 6.024645 6.71415 5.52214 5.264725 7.35928 6.383465 6.11373 5.62617 5.806915 5.936485 5.904275 6.159935 6.19344 5.526355 5.65297 6.021965 5.82632 5.72084 5.66407 5.56628 5.07182 5.924275 5.54464 5.50062 6.576815 6.04982 7.42545 7.14736 5.905655 6.030855 6.02641 6.535455 5.953515 5.964 6.498245 5.62012 5.96402 6.47218 5.34158 5.173685 6.705105 6.28986 6.41883 5.50755 5.66912 6.70524 5.26587 NA 5.52959 5.56781 5.72012 5.64894 628679 Furo[3' 5.99467 5.661715 5.39961 5.82088 5.273305 6.11188 5.807855 6.049445 5.762175 7.15168 5.57959 5.07104 7.549325 6.46172 5.64601 5.882235 5.922705 6.243065 5.69154 6.311285 5.94582 5.62841 5.65059 5.772975 5.94956 5.734925 5.60531 5.44963 4.87873 5.785795 5.27205 5.64594 6.710585 5.600365 7.54362 7.30609 5.82016 6.025985 5.93618 6.537895 5.7072 5.96891 6.61508 5.53693 5.32994 6.27307 5.7163 5.496955 6.69019 5.911345 6.36775 5.41948 5.78349 6.43413 5.36423 NA 5.38042 5.04869 5.58359 6.21845 628930 628930 5.74424 5.34213 5.43368 5.640915 5.25719 5.7264 5.27294 5.67475 5.792415 5.24084 5.44866 4.78821 5.30418 4.78431 5.64858 5.314085 5.44485 5.65969 5.583115 5.419085 5.677795 5.198035 4.8923 5.689595 5.685695 5.470065 5.37296 5.63382 5.68834 5.727975 5.60436 4.864705 5.861915 5.52605 5.77782 5.76992 5.66835 5.591205 4.76188 5.094115 5.80964 5.706635 5.476055 4.83462 5.633715 5.009855 5.196655 4.920085 5.51244 5.62641 8 5.50199 5.67417 4.96416 5.41432 NA 5.52136 5.69852 5.60509 NA 628939 628939 6.11003 5.74111 5.75948 5.716295 5.54045 5.8756 5.73579 5.689645 5.75882 5.37253 5.648575 4.80987 5.10914 5.56941 5.82299 5.18665 5.109875 5.788905 5.59401 5.74483 5.73382 5.44796 4.77638 5.78157 5.65986 5.71258 5.66223 6.47016 6.22876 5.76548 5.747145 5.1887 6.019015 5.59493 6.26204 5.922905 5.69111 5.73994 4.923385 5.325505 5.732065 5.69911 5.72826 5.37614 5.75496 4.92296 5.26858 5.66641 6.45679 6.020595 5.87638 6.25582 5.56259 5.59022 6.48082 5.04876 5.9831 6.45337 5.72253 6.40012 628995 Androst-1-en-3-one 4.77878 4.75149 4.68199 4.84317 4.74782 4.660285 4.72325 4.803455 4.60078 4.75778 4.559775 4.24906 4.77136 4.39435 4.37478 4.33277 4.35156 4.74352 4.68654 4.26114 4.77219 4.72837 4.3761 4.77275 4.74272 4.7302 4.75949 4.7917 4.75362 4.78701 4.62431 4.03968 4.69789 4.694905 4.63536 4.6785 4.40412 4.59792 4.36024 4.01129 4.57226 4.40243 4.46011 4.33591 4.75893 4.598955 4.763795 4 4.67922 4.639115 NA 4.65846 4.53249 4 4.49726 NA 4.39051 4.5789 4.78631 NA 629266 9-N-(N'-Bis-chloroethyl-N-1 7.86601 6.29892 6.68033 6.43943 6.143465 6.78476 7.01127 7.35191 7.5002 7.35582 5.98953 6.524075 7.591725 6.85313 6.88483 6.39667 6.961855 7.46276 7.181885 7.10696 6.69833 7.722315 6.75497 7.55742 7.93034 7.25759 6.94097 7.42113 6.907055 7.376495 6.85147 6.60425 8 7.95731 8 8 6.67819 7.70427 6.36202 7.55175 6.817195 7.998215 8 5.84225 5.817015 6.40192 7.88527 6.393005 8 7.98487 8 7.05435 7.28856 7.08792 6.3133 NA 7.31675 7.24363 6.49051 NA 629874 Benzenamine 4.75827 4.00683 4 4.59201 4.138625 4.303375 4.552145 4.18998 4.54113 4 4 4.015165 4.190245 4.235545 4.406545 4 4.348635 4.43853 4.41697 4.333305 4.639195 4.56982 4.52427 6.31914 5.38999 4.902295 4.612155 4.4354 4.05337 4.572 4.45381 4.01532 5.490575 5.51713 4.693375 5.513005 4.46591 4.52388 4 4.0599 4 4.28345 4.253365 4 4.00215 4 4 4 5.72226 5.04023 5.43455 4.37379 4.52483 4.25 4.8288 4.393795 4.45462 4.48567 4.55392 4.17995 629974 7H-1 4.92413 5.18864 4.84447 4.84946 4.879605 4.805865 5.17688 4.93747 5.72091 4.7105 4.76911 4.81773 4.99243 4.7888 5.36649 4.74988 4.94214 4.732 4.826025 4.78769 4.827165 5.45828 5.6568 5.198405 5.679065 5.61851 5.028255 5.41215 5.676735 4.86599 5.07472 4.70029 5.60116 5.643025 5.61744 6.74919 4.88977 5.013435 4.777305 4.80687 4.945025 4.914255 4.80579 4.734975 4.93202 4.84342 5.697755 4.705815 5.60008 5.72746 5.72429 NA 5.23339 4.72251 5.45689 5.52458 NA 4.95016 4.90348 5.69547 630128 Trichlorotris-3-(t-butyl)pyrazo 6.38346 5.861195 5.80915 5.83623 5.95617 5.856745 5.96302 5.82507 6.53542 5.779345 5.74047 5.7009 5.614595 5.730385 5.93906 5.683325 5.76451 5.70893 5.710365 5.80222 5.73328 6.14181 5.8903 6.554975 6.529185 5.90727 5.838275 5.76319 6.13793 5.83191 5.742915 5.706235 7.39345 6.69939 7.32015 7.14803 5.86344 5.83985 5.69841 5.43866 5.87008 5.85488 5.92334 5.83944 5.826185 5.92259 6.81453 5.644455 7.608375 7.64728 6.37341 NA 5.93269 5.56113 5.89635 5.97221 NA 6.69757 5.80673 5.9974 630176 Valine 10.899215 11 11 11 10.83125 10.80307 10.21961 9.887795 11 10.73283 9.235755 10.43681 8.486935 10.959945 8.95551 11 9.88967 10.95243 9.99131 10.61954 10.9072 11 8.63733 11 10.498965 7.38828 11 9.93959 8.25494 10.27404 10.61228 10.496 10.78295 10.93336 10.581155 10.64489 8.486485 10.45614 9.893135 9.24759 8.63963 10.09938 7.96871 9.99514 10.83195 10.872485 10.54501 11 10.46919 10.81365 11 7.21209 10.50385 10.78364 11 11 11 11 11 10.53992 630602 1-Piperidinecarboxylic 5.7513 4.89735 5.083965 5.704755 5.60604 5.30807 5.680965 5.534595 5.62006 4.738035 4.827365 4.57341 5.41167 5.45158 4.91384 5.398225 4.95131 5.772145 5.413815 5.53744 5.2798 5.70103 5.72587 5.830115 5.767215 5.658895 5.681305 5.41814 5.51378 5.56801 5.2717 4.96099 5.690485 5.7561 5.66934 6.17347 5.197825 5.65998 4.74486 5.65334 5.56667 5.508755 5.49957 5.06928 5.46895 5.67216 5.35973 5.20537 5.86477 6.61834 6.02021 5.03957 5.665365 5.054545 5.64888 5.62003 5.60581 5.76485 5.63923 5.437925 630605 1-Piperidinecarboxylic 5.87289 4.81788 4.86173 5.34271 5.66312 5.42336 5.57789 5.65444 5.67784 4.82833 4.73701 4.590235 5.398325 5.13293 4.71945 5.19231 5.106465 5.60513 5.29597 5.49919 5.06963 5.87961 5.537405 6.44698 5.94392 5.54991 5.92301 5.16087 5.30493 5.6866 5.41244 5.06054 6.02598 6.11303 5.80356 6.26917 4.88772 5.66815 5.63225 NA 5.58939 5.60833 5.43231 4.72543 5.640485 4.997255 5.16701 4.82754 6.12707 7.63618 6.15746 NA 5.43656 4.60273 5.4936 5.6763 NA 5.75411 5.65043 4.79706 630609 1-Piperidinecarboxylic 5.48354 4.27483 4.61911 4.66317 4.90744 4.78401 5.139655 4.8718 5.255075 4.32711 4.37058 4 4.505475 4.239625 4 4.36223 4 5.42259 4.790795 4.82636 4.60765 5.113895 5.2374 6.46813 5.68389 4.943015 5.393095 6.162115 4.90286 4.65092 4.77507 4.42011 5.73484 5.54705 5.56231 5.76618 4.75451 4.7911 4.12628 4.48427 4.74778 4.908995 4.85458 4.34112 4.59023 4.373545 4.687575 4.63986 5.75654 6.79633 5.19238 NA 4.82284 4.26088 4.749 5.60756 NA 5.51422 4.87811 4.38331 630678 Streptomyces 10.674095 10.480675 10.359855 10.33882 10.648565 10.4848 9.87704 10.813465 10.925605 9.69699 9.525 10.286985 10.32784 10.38451 10.16765 10.269375 10.30844 10.50835 10.290125 9.985765 10.32508 10.57474 9.92135 10.68597 10.217525 8.6172 10.33076 9.9069 9.847785 10.041445 9.98431 9.73645 10.15312 10.3868 10.04735 10.48889 8.577075 10.23107 9.99203 10.06064 10.3224 10.46118 9.42319 9.13315 10.28721 10.44832 10.248865 9.640545 9.95969 10.41482 11 7.479815 9.83399 9.52185 10.05238 10.34661 10.303635 10.20338 10.22848 10.08045 630684 8-Quinolinecarboxaldehyde 4.22836 4.541855 4.68729 4.306595 4 4.73391 4.20416 4.63731 4.76581 4.30563 4.458205 4.35261 4.371565 4.97109 4.82634 4.927445 4.9754 4.8448 4.764795 4.89911 4.91894 4 4 4.46108 4 4.20426 4 4.787795 4.68452 4.47878 4.632235 4.665755 4 4 4 4 4.46855 4.380845 4.74097 4.6682 4.8119 4.899505 4.752365 4.64141 4.016905 4.65889 4 4 4 4 4.50514 4.39996 4.27281 4.1282 4.70488 4.917095 4 4 4.69105 4.54675 631305 cis-Dichlorobis(4-methoxyphenet 5.03004 5.75031 5.63012 5.73662 5.63568 5.09943 5.6527 5.24909 5.78565 4.43315 5.15114 5.04437 5.28425 4.748585 5.3083 4.80626 4.711595 5.10535 4.96671 4.76044 5.20673 5.43337 4.91912 5.42847 5.17624 4.67584 5.143575 5.58768 5.40404 5.41361 4.84701 4.4168 5.519565 5.37355 5.53732 5.6131 4.65703 4.82944 4.74877 4.731935 5.14234 4.75532 4.73673 4.64081 5.10615 4.74823 5.42267 4.92133 5.54569 5.659225 5.43363 NA 4.97411 4.60613 NA 5.857 NA 5.29283 5.39702 5.71469 631306 cis-Amminedichloro(4-methoxyphe 5.23184 4.72909 5.249695 4.92482 4.84065 5.54842 5.18254 5.41824 5.25584 4.65924 4.16347 4.44521 5.53946 5.018675 4.32382 4.53666 4.320305 5.42999 5.70471 4.99265 4.94307 4.7719 4.68883 5.61572 5.64378 4.84619 4.9833 4.73234 4.58053 4.67701 5.46938 4 6.35847 4.48957 6.4266 6.51109 4.01655 5.22495 4 4.647255 4.43623 4.73337 4.72402 4.47789 4.29917 4.56857 4.72752 4.72485 6.105365 5.81185 4.71854 NA 4.82477 5.31405 4 4.71114 NA 4.92764 4.71187 4.47281 631366 5-[2-(4-Methoxyphenyl)ethyl]-1 7.21812 7.28774 7.43545 7.73297 7.251235 7.21409 7.40206 7.80739 7.60592 7.29226 6.73831 6.854795 7.436805 7.7298 6.048445 7.18656 7.28198 7.43341 6.161655 7.76496 7.63962 7.799015 7.12602 7.65006 7.72504 7.84272 8 7.67378 5.42026 7.16264 7.34067 7.61512 7.693705 8 7.37948 8 5.92483 6.95471 7.68446 7.67554 7.96885 6.99693 5.699195 4.9633 6 7.29959 7.57818 6.55556 8 7.40177 7.54771 7.20613 7.46158 7.02838 6.66473 7.3593 8 8 5.63511 NA 631521 631521 5.66303 5.48765 4.94521 5.69308 4.98898 5.6801 5.4868 5.601 5.71951 4.6287 4.82289 4.8066 4.90326 5.13228 4.876935 4.83777 5.094115 5.75962 5.41355 4.80377 5.55039 4.70577 4.81503 5.66779 5.793995 5.64456 4.94299 5.72562 5.71837 5.62976 5.45588 4.75063 5.733405 5.58586 5.87902 5.597945 5.66783 5.73849 4.779055 5.51321 5.130555 5.741355 5.756055 4.70598 5.67146 4.74785 4.85319 5.53749 6.9962 5.70592 NA NA NA 4.72605 5.66359 5.16016 NA NA NA 5.39484 631526 631526 5.73743 4.92423 4.87065 5.65816 4.91982 5.48655 5.67699 5.53793 5.6753 4.75554 4.74843 4.87073 4.999755 4.954 4.85905 4.94774 5.10266 5.414695 5.23792 4.92767 4.82903 4.65232 4.78571 5.14527 5.69772 5.27322 5.01243 5.65274 5.296 5.46838 4.91727 4.68629 5.73878 5.7395 5.80443 5.58 5.63204 5.5507 4.76485 5.371795 5.28668 5.36458 5.523535 4.67203 5.26574 4.76417 4.84171 4.89567 5.97451 5.67728 5.02869 NA 5.1321 4.71653 5.63816 5.87793 NA 5.6981 4.84586 5.66065 631527 631527 5.58535 4.89591 4.87833 5.28255 4.77619 5.30616 5.12374 4.90742 5.6215 4.70047 4.76561 4.815875 4.890365 4.79024 4.8787 4.83814 4.86653 5.30702 4.89193 4.80354 4.82552 4.66326 4.74392 4.968725 5.60108 5.12213 4.84356 4.86356 5.09437 5.45903 4.89121 4.73117 5.67596 5.62783 5.62146 5.40585 4.97545 5.23891 4.78996 5.39176 4.78499 4.84942 5.246045 4.66522 5.13406 4.74572 4.79826 4.72545 5.78253 5.58445 4.84565 NA 4.89579 4.75505 5.42299 4.95532 NA 5.61846 4.79625 4.95569 631534 631534 5.69357 4.80002 4.84625 5.25715 5.40125 5.50675 5.22799 5.5477 5.78477 4.98853 4.88036 4.80838 5.37018 5.29539 4.81394 5.42873 5.256475 5.51541 4.86813 5.36086 4.95614 5.63372 5.6726 5.724745 5.70359 5.61911 5.63669 5.60015 5.56587 5.47654 5.54713 4.623 5.83378 5.85043 5.7236 5.547255 5.59818 5.72943 5.6311 5.605475 5.74413 5.76964 5.695755 4.88435 4.72973 5.39829 4.96271 5.71018 5.81946 5.72629 5.6295 NA 5.33137 4.81137 5.64052 5.5596 NA 5.02245 4.86276 4.89313 631911 9H-[1 4 4.7417 4.36736 4 4.87952 4.99418 4.57646 5.28698 4.27625 4.51612 4.78222 5.24501 5.19774 4 5.31412 4.07169 4.526635 4 4.66924 4.358675 4.50313 4.85313 4.92924 5.324615 4.90438 5.40136 4 4 4 4 4.76832 4.83975 4 5.79333 4 5.09506 4.97929 5.04548 5.578175 5.05685 5.14899 4.91399 5.210965 4.90435 4.84003 4 4.905115 4.415205 4.82369 4 5.438045 4 5.60387 4.88768 5.116865 4.85689 5.08165 5.41598 4.61471 5.44078 632129 (E)-1-(2 4.96596 4.93347 4.68134 4.735975 4.97989 4.76715 5.4342 4.76741 5.65239 4.45186 4.36024 4.2918 4.48022 4.27234 5.38182 4.33627 4.47216 4.529135 4.55268 4.469 4.68092 4.24049 4.575965 5.004475 5.36698 5.31192 4.50722 4.8326 4.87569 4.87567 4.36398 4 5.59162 5.39714 5.02987 5.57825 4.70847 4.56377 4.530865 4.85178 5.086805 4.76411 5.114255 4.49784 4.89898 4.61073 4.52011 4 5.51953 5.44895 NA NA NA 4.82999 NA NA NA NA NA NA 632536 1 4.74449 4.76964 4.58062 4.77391 4.739805 4.146675 4.73189 4.74319 5.02922 4.276985 4.48153 4 4.38386 4.31171 4.850545 4.258475 4.38601 4.544055 4.266975 4 4.63666 4.64002 4.768655 4.46576 4.63985 4.477495 4.14686 4.77002 4.426915 4.49423 4.207675 4 5.048035 4.81162 4.73362 4.778525 4.822485 4.185185 4.59692 4.58238 4.68075 4.673145 4.788035 4.36608 4.76057 4.838175 4.77373 4 5.29882 4.75102 4.77614 NA 4.97872 4.60387 4.83515 4.89321 4.78991 4.81704 4.91672 4.779325 632790 Platinum 5.06089 5.57467 4.8127 4.92405 5.33083 5.30759 5.54583 5.3962 5.86274 4.671885 4.84956 4.68207 4.77947 4.67203 5.604295 4.46933 4.890705 4.767615 4.59688 4.67813 4.79698 5.190185 4.732135 5.54174 5.81538 5.48921 4.73229 5.42007 5.22725 4.76593 4.99401 4.738545 6.17581 5.73764 5.87767 5.834715 4.96555 4.7522 4.72217 5.86364 5.73753 5.59893 5.51459 5.53041 5.27769 4.73924 5.64913 4.71288 5.94777 6.19725 5.3973 5.50911 4.66259 4.523065 4.61214 5.57429 5.31473 5.14602 5.02826 5.39771 632791 Platinum 4.99166 5.64228 4.5929 4.85538 5.267775 4.77583 5.46187 5.02187 5.878735 4.68539 4.73407 4.65001 4.70047 4.6149 5.5982 4.35979 4.8474 4.816465 4.63255 4.71045 4.78817 5.01469 4.68734 5.5053 5.5696 5.33458 4.69097 5.423125 5.22432 4.67203 4.72699 4.69621 6.15642 5.75144 5.68396 5.72734 4.91185 4.74708 4.696345 5.63332 5.80226 5.28611 5.55218 4.94485 4.90738 4.90124 5.68431 4.71388 5.7649 5.64062 5.29068 5.36453 4.69662 4.523285 4.61418 4.55812 5.23157 4.973775 4.67449 5.33276 632839 4-Piperidinone 6.2439 4.83137 5.17587 5.64263 5.71534 5.7355 5.68203 5.68809 5.72687 5.54668 5.3396 5.544115 5.87422 5.565275 5.60674 5.58481 4.64117 6.46684 5.67846 5.45099 5.63679 6.29266 5.77788 6.50432 5.95961 5.81584 5.9172 5.52751 5.60146 5.65859 5.70751 5.41916 6.08347 6.48001 5.67925 6.35689 5.71617 5.63682 5.72306 5.609225 5.830545 5.85107 5.65272 5.41647 5.38001 5.72141 5.71873 5.411685 6.25232 6.62831 6.29035 NA 5.582025 5.34881 5.5356 5.723225 5.51907 5.604175 5.64973 5.576885 632841 4-Piperidinone 6.657805 5.70873 5.69646 5.806835 5.72974 5.710765 5.780235 5.775345 5.84344 5.52369 5.471975 5.4892 5.7594 5.583925 5.582915 5.74246 5.50294 5.90844 5.64587 5.684755 5.71416 6.4343 5.72429 6.73772 6.567885 5.91412 5.92216 5.73976 5.67575 5.922555 5.68348 5.59014 6.4364 6.59013 6.39356 6.4989 5.746785 5.784595 5.6931 5.664645 5.732995 5.91182 5.67035 5.537575 5.75538 5.47034 5.74458 5.65906 6.48151 7.424475 6.30332 5.713965 5.75573 5.28605 5.734725 5.79127 6.52106 6.53257 5.69689 5.389135 632855 9-Chloro-2-methylellipticinium 5.34465 5.73779 5.66878 5.79794 5.558805 6.07246 5.24089 5.37547 6.16236 6.65403 6.40544 5.88835 5.33357 6.29243 5.52964 6.63644 6.64764 6.61071 6.64815 6.388995 6.43999 5.44251 5.83631 5.82879 6.6645 5.19385 5.99349 5.67224 5.429995 6.55991 6.09412 5.939265 5.79322 5.62901 5.66107 5.224275 5.72949 6.652275 6.58134 5.965845 5.91815 6.57441 5.47631 5.20904 5.23129 6.59298 6.32221 5.17422 5.441545 4.57939 5.56494 5.52833 6.05989 5.58899 5.3538 6.5659 5.22268 5.25131 5.92089 6.08924 632862 Tetrakisoxinatosilicon(IV)tetra 6.02769 5.65805 5.619045 6.26145 5.2995 6.59993 5.87378 6.4077 8 6.24153 6.22117 5.98843 6.20848 5.442935 5.52465 4.72449 5.80376 6.20361 6.15445 6.02162 6.12229 6.30482 6.096945 6.51786 6.49488 6.539415 5.87721 6.81727 6.50791 6.4026 6.36682 5.44685 6.79505 6.5994 6.60128 6.53228 6.25943 6.1214 5.465785 6.23571 6.75558 5.20581 6.004 5.41188 6.53387 5.62161 5.9445 6.03699 6.75125 6.6175 NA NA 6.06722 5.31456 5.80239 6.66875 NA 5.25059 4.68524 6.38372 632913 1H 4.87396 5.63511 4.76716 4.75109 4.85495 4.76334 4.81227 4.75104 5.86665 4.39564 4.665105 4.51459 4.69283 4.32481 4.82105 4.36663 4.77686 4.77159 4.67086 4 4.82359 4.72391 4.65099 5.35398 5.5002 4.93755 4 4.73974 5.4374 4.74832 4.69021 4 5.8248 5.69223 5.49518 5.84042 4.57206 4.78165 4.33792 5.98766 4.85297 4.81768 4.89001 4.85184 4.74465 4.60717 5.37306 4.63932 5.5774 5.81441 NA NA 4.76845 4.34354 4.75632 6.16025 NA 4.7928 4.84244 5.00292 633113 633113 4.7965 5.587955 4.78488 4.743825 5.171045 5.06938 5.3686 4.955 5.724935 4.43974 4.758805 4 4.16672 4 5.47703 4 5.0469 4.74794 4.67034 4.49908 4.77121 4.79871 4.71061 5.411675 5.772805 5.58 4.734605 5.1213 4.84937 5.342645 4.77239 4 5.852765 5.94629 5.64784 5.74032 4.89081 4.74918 4.57517 4.73732 5.737725 4.756125 5.29245 4.78123 4.96699 4.69895 5.34236 4.67334 5.73089 5.54987 4.79676 NA NA 4 5.66232 6.51103 4.87645 NA 4.81153 5.78658 633530 1H-Pyrido[3 4.89424 5.42976 4.66349 5.17213 4.6444 4.455015 5.44705 4.50079 4.37261 4.01414 4 4.572015 4.54961 4.02216 4.53626 4.008775 4.348655 4.43209 4.01882 4 4.63798 5.387805 5.2381 4.86414 4.56048 4.7411 4.5115 4.21752 4.32529 4 4 4 4.7662 5.37999 5.097655 5.04907 4.72818 4 4.30859 4.05546 4.91388 4.293675 4 4.345945 5.20098 4.379395 4.99291 4.66012 5.10509 4.945575 4.71564 NA 4.93154 4.44476 NA 4.90733 4.75642 4.6656 5.18173 5.413 633555 Acylfulvene 6.75269 6.62959 6.67619 6.86719 6.62821 6.978595 6.76586 6.64139 6.81189 6.48435 6.28929 6.27195 7.00459 6.78738 6.51746 6.48692 6.65632 6.56751 6.847315 6.66777 6.623455 6.62032 6.66067 6.63497 6 6.66092 6.46471 6.668865 6.678475 6.70733 6.50581 6.54277 6 6 6 6 6.643265 6.55775 6.53563 6.5829 6.77955 6.57451 6.679495 6.48354 6.6307 6.51338 6.67643 6.46642 6.87145 6 NA NA NA NA NA NA NA NA NA NA 633558 (1 NA 4.15689 4.64591 4.47921 4.46308 4.12576 4.64993 4.65977 4.376185 4.735365 4.4273 4.71883 4.72756 4.47526 5.1644 4.70054 5.63368 4.509975 4.589325 4.89349 4.433835 4.91872 4.68642 4.94608 4.60597 4.61379 4.76479 4.39352 4.58263 4.50022 5.13374 4.48861 4.58184 4.68535 4.75432 4.69823 4.59772 4.28031 4.36751 4 4.537665 4.46394 4.59109 4.011365 4 4.27485 4.604365 4.643245 4.44761 4.63779 NA NA NA NA NA NA NA NA NA NA 633907 633907 5.82786 5.75399 5.683575 5.68788 5.76851 5.50764 5.60077 5.777715 5.81324 4.94661 5.3264 5.03868 5.59606 5.43439 5.454535 5.22446 5.08604 5.82451 5.70959 5.540345 5.67139 5.74518 5.66526 5.70292 5.64542 5.616 5.73735 5.36389 5.10695 5.52093 5.597795 4.88158 5.75178 5.58182 5.68243 5.69201 5.09626 5.68965 5.04577 5.395605 5.717775 5.72173 5.690025 5.22576 5.6474 5.39029 5.42002 4.92149 5.63783 5.53713 5.5428 NA 5.49103 NA 5.55329 5.54145 5.73138 5.4907 5.59412 5.56925 633912 633912 5.787645 5.60985 5.0345 4.91894 5.67802 5.55863 5.61621 5.69194 5.72439 4.79647 5.135845 4.94243 5.02264 4.676495 5.07665 4.94594 4.8406 5.74521 5.55801 5.339515 5.53008 5.68773 5.518725 5.71594 5.59933 5.02722 5.74196 5.22363 5.02008 5.52223 5.499845 4.816025 5.66762 5.54893 5.63489 5.61771 4.87956 5.652595 4.809035 5.14855 5.36579 5.42145 5.345065 4.79414 5.57418 4.85323 5.42817 4.86086 5.60499 5.60064 5.47339 NA 5.35804 4.79795 5.64025 4.85391 5.36522 5.25163 5.55984 5.37319 634182 2 4.77474 4.80599 4.701605 4.67006 4.73431 4.748705 5.35472 4.74055 5.37998 4.62556 4.737745 4.72606 4.58547 NA NA 4.73638 4.83545 4.72091 4.75107 4.80786 4.667875 4.71569 4.822505 4.87033 5.43965 4.655725 4.73558 4.74352 4.825885 4.73426 4.66683 4.67784 5.87604 5.59809 5.64755 5.760325 4.76238 4.72849 4.80569 4.86814 NA 4.84821 4.77779 4.791485 4.8005 4.7773 5.25246 4.72974 5.73537 5.57397 4.71197 NA 4.81779 4.84148 4.91379 4.76278 4.7626 4.84691 NA 4.72287 634372 Chlorobis(4-isopropyltropolonat 5.57695 5.77867 5.24585 5.70894 5.83394 5.7064 5.79444 5.57334 5.856105 5.56944 5.238045 5.16842 5.53413 5.275675 5.75587 5.14637 5.3193 5.86397 5.859465 5.47028 5.67881 5.43341 4.9507 5.75674 5.75943 5.82345 5.0973 5.88237 5.48594 5.80593 5.107995 4.80156 6.0217 5.69528 5.9623 6.018105 5.4136 5.39355 4.83481 5.784265 6.33529 5.71193 5.728935 5.83363 5.78022 4.98725 5.862965 4.85754 5.67597 5.670315 5.83464 NA 5.5036 5.15171 5.75382 NA 5.85978 5.66177 5.73976 5.83198 634396 634396 4.596945 4.80865 4.775485 4.9295 4.64848 4.68984 4.685765 4.8306 4.7436 4.70597 4.48525 4.38023 4.52994 4.82634 4.75562 4.72258 5.20001 4.84611 4.76777 4.74556 4.759795 4.83922 4.68003 4.95529 4.98696 5.10512 4.96262 4.80454 4.76216 4.75502 4.69426 4.77481 4.29867 5.271335 4.67263 5.0854 4.69759 4.63105 4.79638 4.407395 5.02535 4.7803 4.67008 4.695485 4.431485 4.78844 4.417 4.307885 5.307585 4.49012 5.159835 4.763815 4.476575 4.224255 4.851045 4.92527 5.599985 5.543805 4.854175 4.58735 634398 634398 4.34826 4.53986 4.283595 4.1461 4.13336 4.65947 4.04295 4.12909 4.6631 4.53136 4.04838 4.22059 4.34198 4.755035 4.84889 4.57455 4.95647 4.73509 4.750405 4.555245 4.295965 4.25417 4.581325 4.597005 4.44919 4.11801 4.46482 4.77469 4.74613 4.78573 4.522975 4.672735 4 4 4 4 4.755795 4.564265 4.73032 4.584715 5.389505 4.7506 NA 4.63334 4.19841 4.71727 4 4 4 4 4.20498 NA 4.10142 4 5.29422 NA 5.14049 4.65496 4.71711 4.75841 634458 Myristoyl 5.51971 4.47136 4.61527 4.77822 4.52695 5.081495 4.84386 4.76207 6.02241 4.96362 4.67557 4.760405 4.924575 4.78832 4.76072 4.579085 4.942145 4.95342 5.075025 4.69174 4.812435 5.133815 4.842075 5.052585 4.778325 5.39379 5.146325 5.02767 5.222355 4.916635 4.63939 4.53049 6.706395 5.51309 6.45835 6.285515 5.161805 5.093175 4.628645 4.761665 5.22332 5.27502 4.75666 4.70943 4.507625 5.49071 4.64646 4.66236 6.02966 5.30071 5.42018 NA 5.36456 5.47516 5.15385 NA 4.59661 4.58977 5.93723 NA 634502 634502 4.81092 4.81357 4.842725 4.90815 4.71096 4.74287 4.81213 4.793685 4.978785 4.6867 4.66882 4.76373 4.67885 4.744295 4.99057 4.77886 4.804165 4.73316 4.82276 4.788855 4.72148 4.6968 4.74406 4.80715 4.81466 4.718905 4.78817 4.78912 4.77156 4.76957 4.769035 4.68035 5.68402 5.48162 5.69963 5.637205 4.85976 4.77842 4.82987 4.73297 4.48443 4.76067 4.816925 4.697 4.78403 4.83559 4.79583 4.66144 5.43344 5.22351 4.69925 NA 4.85859 4.83788 4.73108 4.91884 4.7653 4.84174 4.83489 NA 634503 634503 4.82291 4.80162 4.725915 4.82209 4.6935 4.83123 4.73643 4.75612 5.06803 4.73331 4.67579 4.68263 4.6145 4.67628 5.5276 4.80409 5.28581 4.76763 4.7529 4.803315 4.73825 4.70873 4.75611 4.80759 5.0659 4.69543 4.72805 4.79768 4.77081 4.66008 4.748945 4.70451 5.86782 5.67368 5.8187 5.92127 4.91837 4.776975 4.72112 4.6127 4.78773 4.79859 4.78432 4.65462 4.75189 4.822505 4.7487 4.67981 5.79924 5.34715 4.83571 NA 4.88525 4.77464 5.25597 8 4.83812 4.77781 4.90826 5.42126 634516 1-(3-Bromo-4-methoxybenzyl)-1 4.71768 4.76147 4.56607 4.83057 4.79834 4.58324 4.774415 4.57265 4.46911 4.32195 4.45382 4.33352 4.63537 4.44898 4.821075 4.10637 4.615115 4.46374 4.17038 4.67335 4.10883 4.76924 4.744665 4.82702 4.44223 4 4.665265 4.11634 4.45213 4.34514 4.42678 4.0229 4.50128 4.7765 4.71213 4.59199 4.550005 4.443245 4.522015 4.77669 4.78056 4.48714 4.56571 4.59092 4.78617 4.70501 4.74739 4.7096 4.781395 4.73281 4 4.20416 4.14026 4 4.65713 4.71619 4.6011 4.73964 4.05776 4.55465 634784 4-Piperidinone 6.44769 5.69274 5.52822 5.81366 5.72756 5.614315 5.63054 5.76861 6.49341 5.49606 5.59914 5.6938 5.674285 5.13569 4.89426 5.58561 5.40951 5.95559 5.530515 5.5326 5.485255 6.102735 5.84419 6.40668 6.501195 5.95644 6.31514 5.60107 5.725215 6.093385 5.73512 5.20443 6.59976 6.726855 6.4993 6.41303 5.728195 5.881835 5.68943 5.617625 5.77426 5.80171 5.69162 4.936025 5.666665 5.6217 5.66657 5.59002 6.611 6.686645 6.457005 NA 5.812355 5.16758 6.133595 5.4497 5.84457 5.94301 6.05393 5.317025 634785 4-Piperidinone 6.382475 5.53356 5.659965 5.73588 5.72751 5.73957 5.72284 5.69311 6.1273 5.27252 5.4658 5.34339 5.489645 4.8778 5.34477 5.65711 5.38896 5.87773 5.66403 5.67523 5.60661 6.04246 6.15126 6.46433 6.75159 5.89578 6.24066 5.5208 5.70073 5.6957 5.518425 5.066685 6.66649 6.75901 6.54336 6.46267 5.78094 5.74719 5.402185 5.63898 5.819785 5.78722 5.555645 5.24554 5.76101 5.273665 5.64263 5.45726 6.37161 6.8142 6.42968 NA 5.97374 5.50231 6.07342 8 5.76982 6.06309 6.44033 5.92562 634786 4-Piperidinone 6.52255 5.61235 5.697995 5.95837 5.69367 5.69054 5.84958 5.8458 6.121065 5.32125 5.43121 5.67384 5.61995 4.89087 5.449945 5.72306 5.67158 5.89082 5.77257 5.77696 5.65638 6.32928 5.842595 6.69905 6.69418 5.96389 6.46365 5.57555 5.89384 6.27338 5.710795 5.39661 6.76618 6.81197 6.65377 6.50191 5.77261 6.03902 5.570245 5.7656 5.67849 5.80032 5.708885 5.37944 5.74123 5.21402 5.7064 5.69457 6.50471 6.94458 6.38246 NA 5.90803 5.28289 5.82914 7.81493 5.68856 5.92425 6.25659 NA 634791 634791 5.798635 5.698855 5.72697 5.797745 5.74156 5.643385 5.66888 5.718995 5.72065 5.3903 5.26622 5.28312 5.50346 5.24949 6.09036 5.526085 5.618905 5.629935 5.65124 4.75323 5.62182 5.758545 5.69221 5.60205 5.54267 4 5.86894 5.652985 5.51423 5.485115 5.662295 5.057845 5.9863 5.970725 5.850625 5.91864 4 5.502265 4.43489 4 5.583995 5.45236 4.440345 5.067955 5.666165 5.350595 5.91369 4.91175 6.28074 6.11314 5.69415 4 5.50577 5.0826 5.58609 5.607445 5.78692 5.74486 5.79339 5.620495 635405 635405 5.46778 4.93561 4.819115 5.130675 4.86679 4.92022 5.45088 4.89004 5.5387 4.67866 4.72189 4.58615 4.69178 4.681205 5.61999 4.76059 4.741645 4.883575 5.05404 4.699825 4.76793 4.75368 4.74489 5.3801 5.35645 4.8938 4.7946 4.73824 4.911695 4.91061 4.78113 4.66811 6.3632 6.10876 5.83505 5.806085 4.81907 4.89519 4.654835 5.37349 4.90035 4.81502 4.85184 4.81633 4.95908 4.70833 4.91061 4.72897 5.96387 5.50342 4.87879 NA 4.77338 4.78678 4.83392 7.18983 4.89435 5.12138 4.97664 NA 635448 Copper 6.72894 5.97976 6.02666 6.5784 6.71398 7.52886 6.68192 6.62493 7.80694 5.96685 6.169785 6.44913 5.93196 5.97784 7.185395 5.92602 6.273545 6.428085 6.52166 6.16352 6.740075 7.13508 6.06977 8 6.95503 6.97356 5.99734 7.55914 6.42335 7.57422 7.19472 5.890935 8 7.93521 8 7.887175 6.01818 6.31827 5.857745 6.74482 6.83914 6.30193 6.88343 5.87197 7.30549 5.91392 7.69666 6.58955 8 7.70301 8 NA 7.41184 6.19453 6.89327 5.63468 6.89377 6.13793 6.72511 NA 636092 636092 5.40496 5.54646 4 6.457195 4.00631 4 6.51562 6.87334 4.80358 5.67436 4.050675 4.49506 5.97557 5.605025 4 4.078875 4.39981 4.52121 4.56958 5.51763 5.278815 5.19412 5.713005 5.188555 4.78398 6.94068 6.27453 5.18388 4 5.18304 4.19274 4 5.30934 6.34272 5.65044 4.843365 5.62603 4.01991 4 4 4 4.19517 6.64471 4.04134 5.05986 4 6.001985 4.82377 5.20488 5.70355 5.30343 4 5.43094 5.89822 4.25227 4 6.45617 6.28598 5.485295 5.73876 636675 4-Piperidinone 5.95892 5.67304 5.55695 5.74727 5.79918 5.744255 5.75265 5.71324 5.90268 5.39402 5.60402 5.6316 5.72567 5.136495 5.32284 5.66678 5.28955 6.25979 5.877 5.962635 5.71684 5.84954 5.7531 6.75807 6.68106 5.76301 6.19126 5.57154 5.69644 5.78262 5.59909 4.90994 6.51654 6.542335 6.48232 6.658915 5.58998 5.78128 5.380415 5.3994 5.631855 5.78881 5.62202 5.61652 5.64432 5.22235 5.79739 5.60001 6.526015 6.62185 6.19429 6.56799 6.13986 5.34909 5.82043 6.54967 5.89364 6.37129 5.8062 5.75406 636676 4-Piperidinone 5.96983 5.62518 5.59383 5.64236 5.72798 5.59359 5.7047 5.71761 5.68205 5.18445 4.865415 4.94454 5.65032 4.84646 4.90049 5.26894 5.25439 5.7352 5.57987 5.60724 5.70746 5.73184 5.728315 6.15012 6.28608 5.66867 5.81157 5.43134 5.53 5.54779 5.3985 4.93085 5.71156 6.411405 5.58511 5.56876 4.93124 5.65739 4.89068 4.92193 5.35935 5.69771 5.47374 4.91215 5.68133 5.23008 5.63616 4.9936 5.74936 6.48837 5.71075 5.50022 5.55969 4.79516 5.45976 5.5849 5.72215 5.68591 5.66987 5.47616 636679 636679 4.854195 4.77007 4.8137 5.3073 5.37849 4.8537 4.74545 5.49587 5.477235 4.39675 4.38732 4.482365 4.74647 4.71625 4.857405 5.191075 5.16234 5.521105 5.290845 4.601585 5.199845 4.96212 5.12453 5.02199 5.08786 4.428125 5.543175 5.043105 4.37026 4.78859 5.487425 4.43133 5.663155 5.20774 5.53703 5.426975 4.064005 5.05766 4.185375 4.00781 4.56687 4.70982 4.32418 4.246215 5.03374 4.65227 5.53049 4.615935 5.72142 5.47363 4.99216 4 4.98542 4.765005 4.982105 5.36788 5.36861 5.34862 5.71707 4.769125 636984 636984 5.78817 5.08075 4.74546 5.3979 5.68471 5.51239 5.63523 5.71708 5.70425 5.38656 5.144295 4.96034 5.6313 4.93367 4.72324 5.74077 5.36048 5.77539 5.80254 5.67256 5.73103 5.74182 4.96446 5.8001 5.7393 5.515795 5.69631 5.80713 5.56463 5.77689 5.57124 5.13818 6.55978 6.18843 6.190265 6.430305 5.284765 5.753 5.16476 5.10283 5.279155 5.75751 5.23785 4.86831 5.39321 5.17325 5.72945 5.39671 6.257505 6.23378 5.9479 6.71526 5.93041 5.7113 6.28508 6.23017 5.82803 6.25844 5.90687 5.83009 637211 Diethoxybis(2-acetyl-1-hydrindo 4.88732 4.724885 4.868945 4.714635 4.73338 4.70322 4.75278 4.89606 4.799 4.54543 4.52923 4.49316 4.98421 4.88578 4.7556 4.75968 4.66584 5.02891 4.73681 4.75603 4.866355 4.49609 4.76161 4.76308 4.56922 4.92945 4.76073 4.62013 4.565105 4.83116 5.0646 4.67762 5.13807 4.59834 4.675535 4.78301 4.69611 4.66836 4.87291 4.43721 4.94978 4.66508 4.69712 4.49178 4.4472 5.126425 4.52752 4.56419 4.75914 4.78557 4.65855 4.63037 4.65822 4.57756 4.88934 4.93188 4.75415 4.76616 NA 4.80959 637399 637399 4.84992 4.74941 4.69409 4.77374 4.7552 4.76464 4.8039 4.8797 5.74547 4.75646 4.811795 4.74847 4.78906 4.72467 4.99387 4.78044 4.91002 4.79786 4.77 4.79133 4.98516 5.2893 4.792695 5.24936 5.33339 5.246805 4.92148 5.02303 5.42542 4.86945 4.8069 4.78491 5.49878 5.38514 5.45997 5.51519 4.81909 4.77185 4.67568 4.91449 4.9552 5.1264 4.81025 5.077285 4.79883 4.77351 5.17071 4.79629 5.60255 5.52583 4.84998 4.894 4.89893 4.73834 4.711 5.02387 4.79119 4.90125 4.88049 5.43657 637436 637436 4.78302 4.77018 4.79349 4.77606 4.75717 4.8049 4.74415 4.72719 4.86311 4.63726 4.80303 4.719635 4.68584 4.7581 5.406105 4.74691 4.88363 4.76904 4.78939 4.79009 4.73036 4.68107 4.805135 4.85543 4.86565 NA 4.77961 4.79935 4.78867 4.79015 4.73495 4.82825 6.23522 5.51516 5.50155 5.4714 4.82313 4.76994 4.64381 4.77617 4.77154 4.78807 4.839775 4.74462 4.807785 5.01474 4.7697 4.76045 5.72694 4.95778 4.7997 4.77867 4.87143 4.65669 4.85376 4.67574 4.77589 4.84329 4.84364 5.00183 637467 637467 5.67639 5.020775 4.7787 5.70499 5.57712 5.293415 5.65552 5.47913 5.756625 4.711245 4.73614 4.77573 4.72707 4.74635 5.60172 4.81673 4.84715 4.88011 4.85428 4.88189 5.41548 5.025705 4.7861 5.551125 5.692905 5.52724 4.863115 5.12799 5.16399 5.29292 4.816765 4.72964 5.61267 5.537895 5.64733 5.65316 5.15948 4.893105 4.80515 4.81644 5.6366 5.225855 5.65482 4.849745 5.18624 4.79019 5.69796 4.92466 5.6531 5.57187 5.069765 4.84696 5.1979 4.763485 5.16907 5.03829 5.40688 5.579525 5.63434 5.73082 637651 9-Methoxy-2-methyl-1 4.97881 5.80542 5.56925 5.767085 5.50775 6.248005 4.987385 5.4599 5.96456 6.082375 5.61414 5.95924 5.922625 6.31798 5.499495 6.52108 6.63139 6.63705 6.71948 6.65527 6.35275 5.387035 5.63199 5.577195 5.854385 4.6223 5.77545 5.39109 5.42883 6.552395 5.82509 5.10528 5.57143 5.52024 6.346385 6.381435 4.56704 6.73244 5.750085 4.68436 5.26532 6.65249 4.911315 4.85775 5.44002 6.57864 5.81959 5.10789 4.75568 5.08515 5.34423 4.03707 4.93786 5.2699 4.91768 6.62039 4.67286 4.82292 5.70521 5.68333 637693 637693 5.757115 5.69806 5.403255 5.729995 5.59263 5.65618 5.73797 5.35273 5.34819 5.41152 5.12723 4.80138 4.81097 4.8092 4.977445 4.79627 5.65112 4.90843 5.5489 5.24702 5.6079 4.72702 4.82802 5.74288 5.73053 5.594645 4.78675 5.73212 5.72849 5.77158 5.22723 4.70296 5.63146 5.63826 5.477935 5.52184 5.70035 5.74113 4.6726 4.692505 5.32084 4.74263 5.65091 4.610115 5.77897 4.83006 4.905665 4.72818 5.83181 5.57557 4.80653 5.72913 4.92096 4.75074 5.60615 5.54206 5.75347 5.74414 4.96285 4.74868 637729 637729 5.655125 5.783915 5.4205 5.904105 5.28944 5.8176 5.727515 5.7406 5.29222 5.47151 4.9565 4.93082 5.461555 5.35525 4.92841 5.28585 5.85338 5.26579 5.02155 5.47809 5.52943 4.76263 4.962435 5.00466 5.36359 5.42984 5.57019 5.6204 4.95246 5.09507 5.094915 4.96761 4.87972 5.71069 4.76851 5.261385 4.96481 5.42334 4.82539 4.9955 4.70386 4.952265 5.126465 4.69321 5.726305 4.7501 4.75611 5.0405 5.51988 5.086825 5.62869 5.345105 5.078975 5.463315 5.411025 5.68214 6.47055 6.379295 5.80766 4.66165 637731 637731 5.834185 5.85991 5.72976 5.967615 5.72299 5.84323 5.800385 5.772815 5.78867 5.71506 5.324 5.80492 5.79476 5.77462 4.85964 5.55593 5.769425 5.408055 5.18395 5.66724 5.67396 5.65286 5.77599 5.385885 5.76012 5.7839 5.58611 5.832025 5.47263 5.12598 5.056635 4.85679 4.94803 5.391355 5.15238 5.2901 5.399645 5.74112 5.433205 4.901845 4.94648 5.47115 5.56307 4.83955 5.812105 5.698095 5.75681 5.7112 5.7565 4.92682 5.777645 5.38568 5.27952 5.75578 5.23226 5.681845 6.034015 5.749845 5.65225 4.776645 637732 1 5.886405 5.70676 5.3662 5.79798 5.65185 5.72575 5.75629 5.75474 5.72868 5.50062 4.78434 4.92253 5.58137 5.32869 5.02283 5.46037 5.71525 5.53775 5.21536 5.69487 5.73975 5.32652 4.88177 5.51875 5.70374 5.63006 5.51579 5.53935 5.67935 5.43876 5.33699 4.85213 4.90864 5.21389 5.06789 5.47024 5.3519 5.75867 5.33388 5.14826 5.23134 5.41464 5.6441 5.06732 5.78231 5.39191 5.439235 5.29793 6.33756 5.36745 5.66716 5.54818 5.50584 5.62292 4.91748 5.62508 5.74511 5.68924 5.78091 5.05636 637827 637827 5.84039 5.73146 5.24952 4.81848 5.75474 4.99028 5.69823 5.12457 5.81412 4.947 5.13198 4.78784 4.9351 4.68811 5.764725 4.89877 5.42361 4.8354 5.75464 4.793505 5.71301 5.75661 5.595225 5.84789 5.74505 5.719675 5.58787 5.71269 5.71507 5.52876 4.86097 4.75797 6.0559 5.70969 5.57482 6.33996 4.77322 5.76364 4.52838 5.755705 5.7793 5.74232 5.73595 5.68166 5.61717 4.878495 5.71663 4.8857 6.10325 5.68303 5.33849 5.78828 4.84607 4.72749 5.03292 5.71159 5.60544 5.74453 5.80208 5.68398 637828 637828 5.85214 5.32271 4.73083 5.07204 5.408565 5.14563 5.414045 5.261415 5.75621 4.920175 4.77245 4.807935 4.869925 4.750715 5.82401 4.799185 4.75574 4.94519 5.13272 4.743565 5.620815 5.70159 4.97698 5.824825 5.825485 5.64009 5.37936 5.325155 5.27834 5.28264 5.04113 4.75554 6.22009 5.81326 5.626175 6.16928 4.88925 5.651145 4.990765 5.76086 5.496025 5.64332 5.48566 5.216335 5.299315 5.38402 5.69737 4.950905 6.068175 5.84707 5.63823 5.78385 5.23742 4.940675 5.645745 5.600945 5.77421 5.708255 5.73696 5.713725 638066 2-N-Methyl-6-thiaellipticinum 5.454935 6.04681 5.51382 5.852585 5.78461 6.291445 5.381775 5.85022 6.19545 6.82858 5.37306 5.964775 6.43187 6.424435 5.78513 6.63517 6.701815 6.900075 6.742315 6.792625 6.41724 5.463165 5.84221 5.45078 6.3243 4.64026 6.38052 5.8636 5.53031 6.46932 5.9444 5.891825 6.18033 5.64863 6.889285 6.52123 4.8833 6.88485 5.83918 5.635145 5.70949 6.64477 5.42423 4.950165 5.72742 6.572845 6.099485 5.43269 5.543605 5.90999 5.88497 4.72283 5.83116 5.83051 5.62074 7.16129 5.68873 5.55769 6.53223 6.09788 638279 638279 6.45735 5.98803 6.327405 6.31078 6.19988 6.864 6.33333 6.56277 7.061745 6.12033 5.99348 6.29721 6.43044 6.12381 6.67852 6.32157 6.63637 6.37409 6.715685 5.96916 6.27463 7.02325 6.689235 7.47637 6.82959 7.11149 6.69674 7.20252 6.62477 6.70205 7.25416 6.29639 7.30255 7.26449 7.2586 6.6802 6.66904 6.12812 5.880985 6.21726 6.69701 6.67234 6.56195 5.88926 7.0372 6.25492 7.24587 5.96565 6.9645 7.018905 7.38295 6.50241 6.50099 5.91064 6.39596 6.22012 6.28285 6.04223 6.79276 7.35606 638304 Hydrazinecarbothioamide 6.50278 6.72353 6.73327 6.80657 6.62598 6.53058 6.31342 6.7366 7.393475 6.31916 5.851975 6.356185 6.70078 5.83324 6.60725 5.91229 6.4989 6.68296 6.56576 5.98748 5.96081 6.5263 6.24849 6.93757 6.43421 6.41089 6.733525 6.63902 6.63345 6.2525 6.60419 6.08741 6.5612 6.58822 6.51438 6.76413 5.97961 5.9382 6.71212 6.0998 6.169335 6.43512 6.14971 5.90434 6.76422 5.89192 6.73276 6.13222 6.529895 6.57108 6.95482 6.427585 6.46589 5.7587 6.41375 6.03423 6.54644 6.55319 6.536615 7.17711 638407 (E)Methyl-3-(4-methoxyphenyl)-2 5.392065 5.963975 5.49712 6.1888 5.163535 5.61372 6.02393 6.27271 6.278965 5.55767 5.25468 5.36351 5.27813 5.86226 5.572555 5.42169 5.83981 5.632595 5.288985 6.14664 5.81291 6.263515 4.97074 5.49442 6.219195 6.05821 6.29417 6.34461 5.26539 5.338305 5.62599 5.87396 5.78642 6.43133 5.81083 6.39975 5.263695 5.33878 5.152205 5.949695 5.907455 5.44979 5.04178 5.204455 5.25688 5.17817 5.80554 5.01211 6.40288 5.62497 6.21851 6.28869 6.159395 5.7733 5.47123 6.01883 6.951005 6.8751 4.468175 5.146705 638409 (E)N-Ethyl-[3-(4-methoxyphenyl) 5.128715 5.260615 5.12128 5.41111 5.256495 4.80119 5.13082 5.33657 5.36814 5.14328 4.26767 4.72323 5.314565 4.951545 4.54119 4.921485 5.380125 5.141795 4.81487 5.498045 5.09281 5.475565 5.33031 5.14446 5.36603 5.35097 5.389275 5.39893 4.12553 4.60781 4.74224 5.16435 5.25333 5.473325 5.24233 5.37343 4.61577 4.667 4.82736 5.22019 5.709015 5.037985 4.48059 4.575275 4.99445 4.4276 5.42071 4.17185 5.52 5.000765 5.31515 5.52335 5.45261 4.875785 5.192565 5.278565 5.678945 5.800065 4.841735 4.69085 638410 (E)n-Methyl-[3-(4-methoxyphenyl 5.27662 6.006 5.41019 6.20733 5.60531 5.513325 5.885255 6.18871 6.12593 5.78412 5.29326 5.504165 5.72583 5.644155 4.824295 5.4589 5.9713 5.50687 5.28019 6.34093 5.85164 6.19477 5.30931 5.88475 6.07174 6.12401 6.23354 6.11057 4.80585 5.40763 5.44433 5.79491 5.52068 6.31429 5.537335 6.2929 5.10883 5.31349 5.55717 5.46708 5.7059 5.42785 5.06147 4 5.45171 5.13575 6.00029 4.76024 6.3554 5.49074 6.20528 5.70322 6.02951 5.63146 5.22937 5.72542 6.50222 6.68808 4.29395 4 638478 Inostamycin 6.4539 6.72506 6.275375 6.73655 6.22177 6.893 6.38434 5.89506 7.76487 6.69866 6.40296 5.93061 6.48244 6.31602 6.52805 6.81005 7.21444 6.50121 6.39843 6.12284 7.252305 6.25437 7.04692 6.72949 6.10238 5.933885 6.346495 7.04068 6.28866 6.18141 5.72069 5.63651 7.43393 6.7678 6.71187 8 5.96884 6.7736 6.385175 6.02492 7.064265 6.28834 6.18588 5.90525 6.52122 5.96002 6.68822 5.820795 7.59092 6.88679 6.33572 7.10052 7.14098 7.05274 6.30784 6.57258 6.82175 6.38345 7.29137 NA 638479 638479 7.46309 7.34792 7.11124 7.591105 7.20794 6.81674 7.33409 7.533105 7.49937 7.29936 6.30587 6.7648 7.450415 7.11149 6.65136 7.00344 7.32259 7.29059 6.50849 7.755205 7.34862 7.42918 7.38126 7.28062 7.571675 7.37857 7.73074 7.48332 4.763875 6.844915 7.19422 7.32424 6.97302 7.44741 6.86455 7.66159 6.35471 6.86738 6.747495 7.31667 7.23973 6.92859 5.50498 5.70248 7.39438 6.70803 7.573505 4.39371 7.48166 7.17543 7.797435 7.73328 7.854615 7.375295 7.25105 7.542855 8 8 4.92484 NA 638484 (4-Methoxyphenyl)-(3 6.24797 6.3511 6.70664 6.67141 6.14375 6.427085 6.494255 6.57234 6.74702 6.42675 6.379245 6.34962 6.544055 6.40121 6.3186 6.474845 6.750715 6.525805 6.11065 6.7761 6.65244 6.849865 6.74031 6.51027 6.86704 7.23444 6.89049 6.75799 4.42687 6.300495 6.35072 6.51746 6.656495 7.286035 6.50093 7.230005 6.119695 6.21179 6.402785 6.53743 6.777805 6.38655 6.27635 4.9747 6.355135 6.38826 6.79018 5.030465 7.343635 6.4232 6.53019 6.856045 6.63641 6.474495 6.07258 6.66773 7.67693 7.668745 5.7099 4.51091 638485 (Z)3 7.79372 8.18676 8.35659 7.89578 7.53526 7.43973 7.88859 8.05308 7.82067 7.56192 7.14158 7.965105 7.63474 7.45036 7.18607 8.02793 8.11585 8.19917 8.297485 8.1703 8.00754 8.106005 7.719915 8.97484 8.21348 8.12664 7.63707 8.93874 6 7.6764 7.332435 8.76963 7.99007 8.39811 7.60294 8.075415 6.91853 7.40637 NA 7.62982 NA 7.55774 7.19589 7.13573 7.8406 7.26111 7.83839 7.39572 9.243815 7.82228 7.382265 8.1154 7.90858 7.631265 7.58619 7.61329 8.578525 8.654735 7.6087 6 638494 (E) 5.21191 5.32591 5.14403 5.44447 5.26944 5.537455 5.46321 5.40165 5.63973 5.36333 5.32836 5.29474 5.41432 5.40073 5.02959 5.35871 5.58927 5.52354 5.2093 5.59479 5.5988 5.57038 5.317345 5.44227 5.365 5.38947 5.44305 5.60698 4.83474 5.34949 5.2107 5.08575 5.42745 5.52227 5.39493 5.43932 5.34478 5.35887 NA 5.228845 5.35458 5.43408 5.19265 5.22822 5.15842 5.34144 5.42313 4.84249 5.52659 5.40478 5.46139 5.68514 5.57271 5.52055 5.30105 5.59242 5.94383 6.04764 5.24565 5.38656 638498 3 7.02682 7.23209 6.46639 7.30714 6.654385 6.48515 7.10146 7.24934 7.08302 7.02324 6.31536 6.53284 7.2515 6.79845 5.7081 6.57031 7.167915 6.59499 6.04433 7.37783 6.67834 7.42374 6.11991 7.26651 7.328015 7.246575 7.32035 7.1547 4.411765 6.430035 6.659875 6.39292 7.166815 7.42484 7.232395 7.3177 5.979165 6.119025 7.14706 7.132005 6.48009 6.760065 5.83335 5.385935 6.113735 6.355155 7.114255 5.08326 7.52533 6.7674 7.003745 7.268155 7.11091 6.68924 7.05545 6.95539 7.705175 7.795455 6.03521 4.56034 638634 4-Piperidinone 5.60985 4.792215 4.66974 5.076645 4.94625 4.74687 5.41938 5.3796 5.08503 4.95403 4.6113 4.47493 5.14653 4.54193 4.72213 5.08873 4.9178 5.71864 4.77505 5.26517 4.85286 5.49484 5.45026 6.117465 5.64644 5.20989 5.357 5.4577 5.32325 5.46808 5.20849 4.70782 5.52681 5.51502 5.47412 5.887345 4.86059 5.46145 4.4769 4.63515 4.80732 5.64259 4.7706 4.72529 4.83754 4.63756 5.30831 4.77905 5.352575 6.05406 5.75847 5.72993 5.69281 4.73004 5.49749 5.36952 5.71351 5.72874 5.64578 5.35397 638635 Propyl-1-aminium 5.76597 4.812605 4.800125 4.81092 4.78795 4.89776 5.61392 5.60778 5.64 4.83347 4.6699 4.85505 5.24845 4.70639 4.72529 5.2694 5.29375 5.77527 5.33656 5.64944 5.40333 5.49993 5.46012 5.813545 6.10535 5.60745 5.79535 5.62791 5.46265 5.65437 5.46386 4.73375 5.77957 5.93247 5.5741 6.23139 4.74167 5.64792 4.68387 5.34438 4.928185 5.74248 5.00774 4.7641 4.74694 4.68801 5.460105 4.75234 5.64369 6.38226 5.84009 5.78471 5.60326 4.77521 5.49182 5.36554 5.64066 5.72156 5.63321 5.67948 638636 638636 4.74384 4.77413 4.5011 4.53495 4.65069 4.63383 4.633065 4.51586 5.836355 4 4.65057 4 4 4 4.781185 4 4.44157 4.20616 4.30254 4 4.08133 4.45021 4 4.55489 4.93402 4.75023 4.01479 4.64016 4.73654 4.510795 4.35021 4.259195 5.19032 5.618695 5.436685 5.097965 4.368745 4.67922 4 5.78375 5.025565 4.590275 4.7829 4.59079 4.581625 4.25845 5.013535 4.37394 5.52344 5.52218 4.517725 4.410215 4 4 4.61995 4.12245 4.48186 4.373395 4.4677 4.494495 638643 3-Piperidinone 5.5923 4.550925 4.63344 4.5613 4.5993 4.93988 4.74603 4.853025 4.87179 4.830445 5.4203 4.71909 4.845 4.838485 4.62142 5.83695 5.32047 5.46526 5.32916 4.72849 4.87095 5.3429 5.014795 5.590155 5.66427 5.55752 5.29189 5.615665 5.66378 5.31176 4.95106 4.46628 5.63968 5.49767 5.2435 5.402105 4.7512 5.14297 4.73718 5.31803 4.85258 5.65264 4.72805 4.45129 4.55405 4.658705 5.48978 4.68234 5.076095 5.45253 5.11697 5.43718 4.85782 4.3097 5.50312 5.49383 4.68006 4.68968 4.55542 NA 638645 638645 6.889485 6.192765 5.77652 6.29549 6.24035 6.34443 6.522445 6.29153 6.7442 6.379495 6.36574 6.29757 6.460915 6.43724 6.524925 6.477675 6.455195 6.792065 6.440375 6.56177 6.64434 6.734805 6.4666 6.76992 6.881715 6.78881 6.422765 6.36761 6.610985 6.60745 6.56203 5.765665 7.57895 7.25427 6.80686 6.9207 6.63624 6.69656 5.877915 6.55205 6.570325 6.83572 6.550445 6.36839 5.80774 6.141185 6.653 6.03637 7.54391 7.078365 6.854795 6.83413 6.99072 6.64993 6.89636 6.590415 6.45981 6.672475 6.3711 6.327395 638736 Chlorotris(chinoline-8-olato)ti 5.220505 5.20267 5.06256 5.75424 4.474515 5.49188 5.58167 5.411315 6.64542 5.4652 5.87425 5.24579 5.75072 4.7861 4 4.503 5.29254 5.4411 5.40844 4.97159 5.38543 5.64982 5.423925 6.26608 6.22695 6.27899 5.61508 6.17531 6.1625 6.17637 5.48185 4.53523 6.51687 6.28472 5.68599 6 4.26071 4.96994 4.661615 5.39405 6.2641 5.76754 5.18694 4.601195 5.81936 4.272675 5.53382 5.4406 6.61098 6.10218 5.63477 6.37714 6.12708 4.83422 6.0538 4 4.00244 5.43612 4.80948 6.2199 638748 Tetrakis(8-chinolineolato)titan 5.77174 5.71003 5.64438 6.03933 5.84606 6.09927 5.88489 5.73552 6.89246 6.1323 6.18976 5.4917 5.95246 5.39331 5.07045 4.149815 5.49708 5.62274 6.30412 5.55896 5.79676 6.32337 5.67772 6.43931 6.43084 6.44104 6.15466 6.91827 6.018205 6.36272 6.36618 5.42507 6.536835 6.519235 6.64047 5.39005 5.252875 5.52394 5.08434 6.49929 6.607745 6.32658 5.76953 4.27041 6.3429 5.102255 6.00942 5.58239 6.73478 6.51115 6.02016 6.61497 5.78718 4.97872 5.9 4 4.93398 4.15294 5.17037 7.22967 638788 2-N-Methyl-6-oxaellipticinium 4.89061 5.797315 5.38441 5.4665 5.15129 5.649865 4.79719 5.24996 5.71974 5.74898 5.55941 5.447 5.45384 5.59045 5.37255 6.01963 5.71423 6.21912 6.391295 5.78575 5.63613 4.70988 5.56019 5.191895 5.56168 4 5.70221 5.57302 5.16776 5.86653 5.49711 4.83377 5.55292 5.16077 5.67173 5.53273 4.22743 6.36008 4.19018 4.57225 4.78989 5.77452 4.34731 4.50998 5.44327 5.65935 5.45793 4.74881 4.83305 5.38229 5.19631 4 5.19547 4.79757 4.88975 6.26847 5.10585 4.95847 6.21552 NA 638855 638855 5.63798 4.69116 4.751465 4.66228 4.54734 4.9636 4.77719 5.694835 4.80972 4.95568 4.50646 4.7187 5.27005 5.17139 4.85945 4.7814 5.18831 5.076735 5.61719 5.39164 5.48626 4.87998 4.73535 4.884535 4.9916 4.882605 4.74769 4.70673 4.69864 4.82656 4.67799 4.68832 5.21103 5.09032 5.32743 6.07003 4.57165 4.95455 4.5124 4.92605 4.77758 5.68185 4.87696 4.61552 4.705435 4.8111 4.71036 4.45601 5.4288 4.76178 4.34344 4.85573 4.80269 4.71018 4.74767 4.63932 4.77791 4.82 4.54833 NA 639187 Landomycin 7.64591 7.70331 7.59905 7.336575 7.465355 7.4982 7.365965 7.71725 8.10374 6.67505 7.139855 6.843885 6.78316 6.82438 6.82851 6.903385 7.49926 7.575285 7.61502 7.56301 7.438855 7.203165 7.43243 7.724645 7.69377 7.46764 7.23873 7.544015 7.75033 7.71062 6.876375 7.28592 7.53504 7.44155 7.85953 7.55077 6.83545 7.594115 6.51236 6.91848 7.73301 7.518615 7.319665 6.86219 7.21551 6.67441 7.731385 7.06162 7.59056 7.577395 6.48982 7.51087 6.651315 6.462095 6.76752 7.50785 6.870335 6.809265 6.48552 6.778495 639364 2 5.39478 5.75148 5.68702 5.788255 5.608585 5.83584 5.16667 5.57789 5.9107 6.45598 5.77243 5.861895 5.45293 6.08172 5.41406 6.43536 6.51319 6.540725 6.25395 6.45431 5.93199 5.43343 5.50894 5.77996 6.37141 4.77399 6.26528 5.571535 5.518625 6.07928 5.80844 5.419405 5.67368 5.70795 5.42189 5.61168 5.18692 6.36505 6.04316 5.387935 5.93922 6.50247 5.27277 5.15808 5.458075 6.12907 5.958205 5.35568 5.434805 4.633105 5.711215 5.10143 6.20104 6.20198 6.0306 6.63381 5.611325 5.395415 6.12288 5.80969 639365 1-(3-Diethylamino-2-hydroxyprop 6.36019 4.884575 4.9505 5.127185 4.89538 4.98734 5.5962 4.78484 5.32931 5.045245 4.805215 4.99611 5.5947 4.908035 5.35981 4.91161 4.96001 4.84372 5.69121 4.98639 5.267455 5.52632 4.93855 5.699885 5.88241 5.19626 5.38199 5.11635 5.24634 5.42838 4.92016 4.66997 6.01825 5.901195 6.38544 5.97827 5.30366 5.25792 4.80459 4.89969 4.8854 5.43302 5.581975 4.896725 5.208265 4.89776 5.23913 4.80294 5.358645 5.37025 5.80558 5.61067 5.18912 4.873545 4.95621 4.93382 5.351935 5.28516 5.65251 4.67601 639366 1-[[3'-(Diethylamino)-2'-hydrox 8 5.64805 6.49832 6.34974 5.89652 6.30235 6.67234 6.251915 6.26065 5.99864 5.6453 5.80746 6.15845 5.71349 5.756325 5.69341 5.79517 5.83637 7.09858 6.00117 5.91711 6.2572 5.92356 7.23905 7.34634 6.24939 6.40554 6.47633 5.93484 7.36623 5.7634 5.68824 7.53364 7.31784 8 7.46029 6.27552 6.80543 5.454605 6.207835 6.40126 6.58485 6.91336 5.67906 5.75147 5.88045 6.0646 5.61245 7.577 6.48864 7.54691 7.00316 6.40302 5.78886 6.27094 5.94358 6.87612 6.59037 5.91349 NA 639498 Cyclopentanone 5.302175 5.78066 5.15237 5.391 5.72349 5.11085 5.63734 4.77414 7.086375 4.73492 5.08592 4.73894 4.64706 4.67872 5.56284 4.80491 5.45868 4.73548 4.77998 4.79104 5.29839 5.649 5.15292 6.059825 6.07971 5.7322 5.91458 5.23363 4.87064 5.53588 5.227885 4.73795 5.7449 6.0434 5.73394 6.021615 4.7916 5.56482 5.32479 6.11407 5.79203 5.85107 5.21695 5.5664 5.45157 4.57029 5.74537 4.72962 5.95751 6.88542 6.50365 5.5225 5.33188 5.74195 5.84934 5.73064 5.79601 5.53488 5.49937 NA 639503 Cyclopentanone 5.55081 4.824535 4.85583 4.80155 5.0944 4.818 5.1638 4.79678 5.67621 4.58118 4.68982 4.72792 4.68782 4.672345 4.69948 4.78329 4.82865 4.786535 4.69376 4.77537 4.740395 4.88408 4.78489 4.96327 5.502405 5.286675 5.45657 5.209865 4.73722 5.208695 4.75356 4.73305 5.54985 5.6142 5.64837 5.49566 4.87488 4.78994 4.764395 5.60605 5.28167 5.557155 4.780315 5.11193 4.937875 4.77258 5.34948 4.69768 5.52307 6.347935 5.79504 5.40534 4.770875 4.83525 5.328045 5.37238 5.27973 5.083765 4.83246 5.564535 639504 Cyclopentanone 5.16436 4.8051 4.79862 4.70606 4.7706 4.77282 4.88019 4.83539 5.26075 4.64219 4.714615 4.73116 4.72059 4.73445 4.72556 4.79589 4.73394 4.75778 4.73715 4.80894 4.76221 4.86041 4.751235 5.141215 5.05946 4.96308 5.390465 4.70936 4.76261 5.015385 4.72216 4.625405 5.43573 5.52273 5.62627 5.459825 4.78641 4.81294 4.67498 4.787255 4.95021 5.7034 4.75335 4.93992 4.76686 4.64931 4.7808 4.70385 5.52324 6.01391 5.48857 5.5827 4.84012 4.83441 5.49502 5.41064 5.24663 4.87754 4.8331 5.5257 639505 Cyclopentanone 5.46541 4.80741 4.82862 4.97847 4.86865 4.93539 5.32955 5.271795 5.569785 4.73508 4.76494 4.79088 4.74171 4.74761 4.76969 4.85893 5.583555 4.83136 4.84649 4.83508 4.83395 5.11235 4.941315 5.45204 5.60125 5.52846 5.46729 4.91833 4.78333 5.51256 5.24522 4.70104 5.53231 5.52442 5.71601 5.6707 4.82467 5.17128 4.80082 5.051945 4.90198 5.78043 4.76161 5.59993 4.9159 4.76009 5.26556 4.68901 5.47052 6.25934 5.7118 5.42072 4.95207 5.27556 5.65113 5.36111 5.31801 5.01974 4.9661 5.73281 639507 Cyclopentanone 4.701565 5.72317 4.721745 4.76958 4.79814 4.72998 5.48425 4.768935 7.342975 4.72628 4.76055 4.70948 4.64705 4.25575 5.68564 4.06336 5.32601 4.72057 4.63483 4 4.71076 4.91755 4.813495 5.354355 5.79984 5.32691 4.53176 4.84637 4.7802 4.95223 4.69656 4 5.77127 5.76831 5.65561 5.44682 4.7268 4.80006 4.59419 6.45908 5.682695 5.47422 4.8782 5.1911 4.78213 4.67336 5.23983 4.74516 5.24761 6.02053 5.3827 4.87552 4.7573 4.78397 4.75914 4.5493 4.81535 4.71776 4.76067 NA 639509 Cyclopentanone 5.156705 4.76462 4.84344 4.895895 4.74496 4.78508 4.85959 4.7558 5.135525 4.55136 4.67554 4.70999 4.71964 5.035015 4.72568 4.80081 4.8518 4.7743 4.70276 4.79641 4.76724 4.75276 4.77441 5.152405 5.13802 4.92269 5.278065 4.78925 4.74642 4.74654 5.017765 4.710085 5.43378 5.48164 5.53156 5.495495 4.76528 4.74067 4.77032 4.757005 4.69658 5.47975 4.713485 4.78743 4.76443 4.69403 4.74489 4.61733 5.16158 5.80613 5.35442 5.2299 4.97906 4.94175 5.64258 5.56228 5.14455 4.99338 4.76561 NA 639511 Cyclopentanone 5.71373 5.25602 5.104215 5.091175 5.16583 4.98368 5.53286 5.049675 5.95756 4.70718 4.73593 4.77119 4.73119 4.913905 5.22437 4.83229 4.90774 4.74534 4.77384 4.75165 4.89807 5.438 5.090485 5.64069 5.708135 5.64191 5.083305 5.39797 4.76342 5.58567 4.89544 4.75475 5.65673 5.75206 5.71337 5.89799 4.79962 5.23416 4.81844 5.619055 5.46944 5.73361 4.82287 5.04654 5.50276 4.78915 5.48903 4.7239 6.06019 6.08014 5.70856 5.62746 5.29052 5.53059 5.70164 5.41833 5.72567 5.46402 5.48708 NA 639512 Cyclopentanone 5.332595 5.6823 5.42191 5.43682 5.65255 5.14127 5.73961 4.927 6.110415 4.68997 5.03968 4.76738 4.69661 4.97785 5.64086 4.75723 5.32956 4.75802 5.27954 4.74839 5.19423 5.56879 5.26103 5.74432 5.747535 5.73307 5.24824 5.38093 5.12513 5.6381 5.397545 4.78634 5.78411 6.03653 5.79899 5.83634 4.83569 5.67883 4.94282 5.701305 5.69512 5.7769 5.53624 5.36319 5.63734 4.72315 5.59607 4.75127 6.13048 6.258215 5.6243 5.58247 5.50176 5.65115 5.6814 5.51662 5.68777 5.5541 5.64651 NA 639513 Cyclopentanone 5.76267 5.14765 4.82695 4.96909 5.26609 5.061805 5.58101 5.08389 5.599225 4.73182 4.73357 4.766795 4.795235 4.874685 4.876655 4.785885 4.77372 4.8127 4.8386 4.80051 4.8369 5.233285 4.9793 5.46596 5.7012 5.60279 5.37308 5.28127 4.83994 5.52134 4.88322 4.802595 5.97281 5.84376 5.82134 5.75355 4.84905 5.16473 4.7546 5.17035 4.94695 5.56012 4.874635 4.825775 5.38234 4.78935 5.39758 4.755785 6.124165 6.00231 5.646595 5.61681 4.908005 5.56348 5.332285 5.05973 5.58364 5.32464 5.408435 5.5594 639514 Cyclopentanone 5.7124 5.49843 4.884915 4.868655 5.551835 5.34465 5.513295 5.387145 5.71707 4.734655 4.759465 4.77998 4.79472 4.81365 4.986715 4.761215 4.859895 4.841325 4.93072 4.8231 4.918425 5.232395 5.23922 5.534235 5.644905 5.459095 5.465545 5.594955 5.50758 5.48745 5.13779 4.804375 5.764125 5.732945 5.68791 5.80315 5.13225 5.61279 4.77428 5.53037 5.34551 5.64318 5.144155 5.022675 5.465065 4.859835 5.49115 4.76833 5.739845 5.61438 5.518735 5.52851 4.848465 4.964525 5.435065 5.203115 5.475725 5.262015 5.689445 5.45361 639515 Cyclopentanone 5.71031 4.70877 4.82942 4.76678 4.84065 5.02578 4.88484 4.77564 5.41025 4.44362 4.7308 4.66666 4.69902 4.287455 4.85228 4.70293 4.85957 4.71562 4.76472 4.61904 4.78971 4.68996 4.655315 5.08888 4.94973 4.89658 4.92593 4.81295 4.81201 4.79293 5.010775 4.36583 5.52533 5.48526 5.53816 5.550245 4.76642 4.82541 4.720925 5.050855 4.80347 4.91932 4.74282 4.78527 4.84223 4.68998 4.81943 4.73958 5.61374 5.73424 5.40162 5.55548 4.86727 5.11633 5.62413 5.35902 5.71411 5.35485 4.9495 NA 639516 Cyclopentanone 5.71941 5.46744 4.78265 4.939415 5.207405 5.076895 5.08469 5.267 5.76326 4.74938 4.8285 4.74882 4.67989 4.7464 5.28693 4.762145 5.070675 4.79345 4.81848 4.802515 4.82039 5.132 5.27519 5.64229 5.78484 5.52593 5.579025 5.001875 4.9905 5.56008 4.94658 4.7195 5.774755 5.63961 5.7079 5.67161 4.76514 5.44087 4.8357 5.31852 5.71178 5.686595 5.047245 5.16407 5.339445 4.88084 5.69123 4.827645 5.755975 5.89189 5.590525 5.60371 5.12225 5.083755 5.628615 5.367 5.256145 5.150965 5.2653 5.26724 639517 Cyclopentanone 5.641855 5.15094 4.772975 4.890485 5.06449 4.85493 5.34173 5.31303 5.69816 4.624165 4.735655 4.74564 4.74979 4.7924 5.242825 4.83787 4.68803 4.73901 4.84404 4.757465 4.729085 5.133685 4.9757 5.383 5.72373 5.442285 5.60495 5.20631 4.71063 5.1248 5.298355 4.744835 5.834705 5.74601 5.858345 6.24734 4.99049 5.61902 4.71546 5.64519 5.63175 5.645465 4.87316 5.10381 4.98024 4.685845 5.107725 4.706595 6.05229 6.0988 5.42403 5.311805 5.207995 4.88162 5.41668 5.36569 5.336895 5.19033 4.94785 6.16904 639518 Cyclopentanone 5.48474 4.82191 4.76262 4.80088 4.83597 4.79227 4.89453 4.78151 5.47997 4.65199 4.76468 4.75316 4.714605 4.683145 4.76 4.77713 4.794555 4.78848 4.90285 4.75945 4.72822 5.09276 4.787805 5.06891 5.26333 4.85794 5.56049 5.03494 4.93572 5.06025 4.81167 4.637425 5.81169 5.58788 5.68532 5.59497 4.76907 4.90858 4.73815 4.76762 4.78944 5.42963 4.81544 4.93869 4.839 4.741365 5.33318 4.73582 5.6564 5.59486 5.20411 4.78235 4.78578 4.78928 5.26199 5.0958 4.84472 4.81337 4.79342 5.42501 639520 Cyclohexanone 4.99262 4.81877 4.8079 4.79713 4.80741 4.69192 5.20488 4.78581 5.76981 4.65257 4.7279 4.73544 4.73927 4.67922 4.73614 4.76687 4.67851 4.73332 4.72825 4.72103 4.76655 4.959175 4.82692 5.1025 5.50355 5.54102 5.52404 5.28782 4.78642 5.43923 4.903435 4.36003 5.590815 5.60971 5.67463 5.759885 4.77427 5.02883 4.740035 4.76143 4.775025 5.61217 4.75875 5.4268 4.97896 4.77216 5.58964 4.74727 5.68236 5.74234 5.28912 5.04768 4.81752 4.76267 5.43416 4.96763 5.14668 4.86078 4.89871 5.73476 639521 Cyclopentanone 6.01267 4.86887 5.3898 5.55283 4.82885 5.33137 5.45109 5.894075 6.11809 5.24963 5.29276 5.36555 6.155585 4.65024 4.71652 6.07917 5.478675 6.24083 5.36558 5.79842 5.75854 6.371315 5.505425 6.4109 6.59212 6.3567 6.49783 5.99864 4.6188 5.54317 5.08955 5.07784 6.23417 6.96442 6.04725 7.02268 5.01106 5.31824 5.15867 5.62415 5.100505 5.92367 4.90657 5.20105 4.79422 4.62658 5.8629 4.77083 6.39432 6.17411 6.53454 6.00502 5.9865 5.10133 5.33841 6.07922 5.97136 6.16422 5.30086 4.65395 639541 Cyclopentanone 6.55273 5.60352 4.84312 5.28515 4.91435 4.92696 5.73999 6.43451 6.47685 4.97364 4.97194 4.90694 5.38171 4.77947 4.832435 4.78784 4.77465 4.99082 5.37362 5.84961 4.9493 5.58843 5.406285 5.85286 5.91282 5.84057 5.86388 5.71184 5.4923 5.71741 5.51412 5.288845 6.34545 6.45325 5.76195 6.038955 5.79295 5.58351 4.77582 5.63431 5.19976 5.77027 5.79519 5.54398 5.54177 4.900845 5.77224 4.91888 6.065435 6.30204 5.87385 5.26407 5.84946 4.87651 5.5174 4.75327 5.44249 5.18509 4.89985 NA 639543 Cyclopentanone 6.29167 4.79488 4.73184 5.63871 4.78928 4.83593 5.40778 6.38655 5.75342 4.83594 5.00539 4.8502 5.09879 4.58112 4.714905 4.76616 4.56519 4.95747 4.79546 5.29 4.87648 4.99424 5.221205 5.34551 5.69988 5.5927 5.70542 5.14436 4.72181 5.40482 5.16379 4.8511 5.86276 6.75563 5.73846 5.650725 5.37483 4.9194 4.74797 4.86946 4.93488 5.69394 5.94515 5.37682 4.86053 4.54726 5.62503 4.60923 5.72469 6.10301 5.88927 4.58182 4.97767 4.87075 5.17404 4.7944 4.82084 4.92664 4.6137 NA 639617 639617 5.10575 4.7895 4.884325 4.8547 4.8457 4.71583 4.934215 4.8068 5.52692 4.75331 4.740495 4.76276 4.912625 4.74687 4.73255 4.79545 4.86708 4.771625 4.74377 4.77078 4.734975 4.81621 5.0178 4.90079 5.467205 5.2964 5.01257 5.14311 4.79685 5.3563 4.80926 4.66089 5.642445 5.54596 5.555775 5.34894 4.77376 4.85321 4.80917 4.83596 4.855985 5.683945 4.769465 4.82974 4.81222 4.68027 5.26232 4.738235 5.49964 5.740885 5.287765 5.014425 4.9961 4.830365 4.95026 4.8068 4.98959 4.95967 5.048175 5.06491 639659 N-(1-Cyano-2-methoxyethyl)doxor 7.50153 7.33355 6.889 7.64343 6.76274 7.18699 6.9203 7.24071 7.58178 7.283115 6.23727 6.58979 8 7.49712 6.406015 7.29391 7.29672 7.63456 7.55729 7.12687 7.3326 6.78744 6.838065 7.48986 7.72533 6.22619 6.74778 6.95154 6.57613 7.19548 7.72458 7.37027 7.80928 7.25332 8 8 6.32188 7.3736 7.41735 7.13763 6.75052 7.53191 7.23324 6.81836 7.11026 7.55641 7.25106 6.69215 7.81638 7.43451 8 5.74145 7.02595 7.38524 6.95012 6.79167 6.96592 7.01089 6.85963 NA 639661 639661 4.981095 5.71457 5.134295 4.79527 4.93204 4.78823 4.90448 4.82459 5.64415 4.77957 4.77329 5.000125 4.75737 4.68118 5.78237 4.77261 5.68877 4.71821 4.86316 4.95293 4.74875 5.04293 4.72787 5.68165 5.44501 5.4017 4.76585 5.632765 5.82128 5.2776 4.77452 5.534375 6.31807 5.65951 6.41081 6.54622 5.65719 5.09478 4.76456 5.77161 5.70142 5.63251 5.65214 5.48404 5.71757 4.82335 4.9417 4.70482 5.86695 5.68458 5.79753 4.66897 4.86075 4.74592 4.79616 4.69488 6.06308 5.1795 NA 6.64353 639754 639754 5.718275 6.19545 5.74089 6.34117 5.90121 5.44245 6.02174 6.28824 6.4292 6.109075 4 5.442405 6.36315 5.791405 4.24298 5.79592 6.57733 5.997985 5.10657 6.232255 6.13516 6.4232 5.9526 6.25085 6.27532 6.28312 6.275955 5.81106 4.58898 5.577675 5.61469 6.0958 6.37293 6.46177 6.27768 6.38217 4.619025 6.06468 5.81814 6.251945 5.498555 6.15209 5.341145 5.13274 6.07787 4 5.698365 4.76258 6.62208 6.14675 5.92584 6.42497 6.415045 5.87356 6.217605 6.067435 6.89993 6.72588 4 4.863305 639829 N-[4-(5-Bromo-2-pyrimidinyloxy) 6.4098 6.32759 6.29334 6.66196 6.21659 6.08538 6.33874 6.46963 6.685925 6.11167 5.705145 6.07679 6.41794 6.27399 6.04204 6.281245 6.78911 6.28177 6.20323 6.609895 6.63804 6.516005 6.27296 6.31725 6.480065 6.662385 6.43096 6.51114 4.84335 6.090465 6.27488 6.33421 6.58137 6.79305 6.34344 7.21258 6.12432 6.099415 6.510615 6.474675 6.554925 6.377375 5.86111 5.321085 6.38398 5.11476 6.21036 5.0791 7.17512 6.341625 6.7333 6.44928 6.46551 6.15136 6.037125 6.59227 7.36244 7.492235 6.125 5.921265 639831 639831 7.48451 6.03644 6.02689 6.97524 6.53044 6.916 5.96893 6.7918 6.950415 7.66833 5.85473 6.55331 7.742835 7.07083 5.957335 6.96506 6.16525 6.711995 7.11559 6.872875 7.20879 7.26609 6.46565 7.74908 7.28954 6.63914 6.80147 6.55 5.933945 7.405875 7.20352 6.28872 7.32709 7.2952 7.95215 8 6.43277 7.191765 7.37065 6.807795 6.562925 7.28284 7.56223 5.82154 6.22798 7.20598 6.768735 5.7416 7.16381 7.362695 7.30044 5.70189 6.54977 6.78549 6.1141 6.09567 6.13758 6.42956 5.91786 6.31648 639896 8-Bromo-2-phenyl-1-aza-azulene 5.65117 5.58642 5.55405 5.3362 5.67102 5.66364 5.52264 5.596625 5.63104 4.7952 4.82161 4.83197 4.925475 4.77042 5.73403 4.79774 4.93675 5.13341 5.3022 4.81591 5.59193 5.347435 5.71545 5.7262 5.65462 5.66974 5.26937 5.65597 5.59762 5.66676 4.77097 4.84382 5.67632 5.58964 5.76244 5.66982 5.14959 5.728735 4.85288 5.45343 5.67891 5.71862 5.63446 4.96383 5.29607 5.296515 5.6604 5.2539 5.89568 5.66453 5.05575 5.44588 4.87102 4.92501 5.58491 5.16299 5.00226 4.83388 4.71501 NA 639966 639966 5.12889 4.824255 4.90273 4.82473 4.727575 4.75685 5.526525 5.039715 5.52254 4.894075 4.85482 4.859375 5.640025 5.12255 5.485795 4.935255 5.26395 4.8985 5.06678 5.26223 4.776665 5.429525 5.30992 5.1173 5.06563 5.53356 6.29753 4.83627 4.9846 4.834305 5.63287 5.41812 5.5776 4.8295 5.464605 5.887385 5.00074 5.34261 5.39646 5.35123 5.59304 5.483485 4.89592 5.73476 4.751665 4.791935 5.60835 5.62478 5.700835 5.50169 4.84241 4.85061 5.95024 4.82087 5.17204 4.88729 4.85458 4.87973 4.912035 4.74573 639976 Cyclopentanone 5.57439 4.870515 4.76632 4.98534 4.87911 4.87592 5.299435 4.9022 5.34589 4.7366 4.73566 4.73045 4.81453 4.8974 4.86323 5.08739 4.8703 4.76923 5.15545 4.81509 4.856465 5.13671 4.935895 5.30526 5.48389 5.50401 5.45756 5.59947 4.71474 5.49256 5.1127 4.72521 5.88655 5.74813 5.64424 5.7174 5.18838 5.032595 4.73544 4.745455 4.89358 5.80314 4.80373 5.4256 4.97143 4.691665 4.95135 4.67139 5.57067 6.35132 5.36609 5.40563 4.91143 4.86228 5.76208 5.44377 5.1596 4.91845 4.74812 NA 639978 Cyclopentanone 5.69303 4.78112 4.876355 4.91336 5.4608 5.04935 5.31655 5.01886 5.86969 4.68767 4.79802 4.81388 4.51876 4.86989 4.94825 4.881055 4.80671 5.669565 5.74126 4.90492 5.39269 5.26543 5.17824 5.45915 5.44929 5.56367 5.66271 5.55101 5.42305 5.50847 5.54073 4.689405 5.74344 5.5883 5.87993 5.87657 4.91121 5.673095 4.84308 5.163405 5.59861 5.72636 5.32678 5.4489 4.896005 4.72564 5.23575 4.78818 5.90757 6.10542 5.78459 NA 5.20033 4.79097 5.31138 5.32669 4.86498 5.43184 4.73267 5.29257 639981 639981 5.645265 5.25343 4.920505 4.90751 5.53137 5.04239 5.37538 4.929155 5.60262 4.693525 4.74479 4.77863 4.70183 4.73674 4.88186 4.802565 4.83531 4.87328 4.76686 4.73512 4.8043 5.37632 4.80984 5.48113 5.709515 5.538425 5.386635 5.06276 5.38139 5.12776 4.771375 4.73928 5.82801 5.63905 5.77441 5.8159 4.80598 5.34809 4.74762 5.48823 4.94185 5.24277 4.897765 4.85157 4.96017 4.78793 5.01211 4.742785 5.80087 6.55191 5.6775 NA 5.66443 4.79523 5.47421 5.41604 4.84552 5.6908 4.74437 5.40022 640071 640071 4.77045 4.28275 4.38392 4.737345 4.254345 4.34398 4.75163 4.74001 4.323775 4.00579 4 4.48845 4.230435 4.35812 4.13297 4.27713 4.49555 4.69642 4.59813 4.511245 4.01738 4.638695 4 4.689115 4.733125 4 4.30192 4.562385 5.264335 4.523985 4.29332 4 4.936125 4.68632 4.6602 4.67796 4 4.716195 4.320435 4.48918 4.67798 4.822625 4.26191 4 4 4.414965 4.54599 4.32294 4.674235 4.64914 4.730685 4.76476 4.38208 4.39446 4.709205 4.31135 4.864855 4.75494 4.7733 4.498415 640080 640080 5.28503 4 5.21691 5.31281 5.150415 5.36138 5.496465 5.416495 5.76748 5.30369 4.71961 5.22326 5.48567 5.367415 4 5.44951 5.72155 5.46904 4.91751 5.635725 5.5815 5.47261 5.50618 5.491955 5.52512 5.435265 5.24595 5.638105 4 5.36429 4.70992 5.444495 5.5457 5.729805 5.42326 5.624765 5.335925 5.34445 5.29056 5.37349 5.50411 5.44031 4.54949 4.621545 4 4.671805 5.42478 4.423665 5.55804 5.4796 5.476655 NA 5.49189 5.296445 5.31288 5.811645 6.06205 6.20826 4.27381 4.04643 640085 640085 6.39304 6.63499 6.44698 6.68613 6.19693 6.46852 6.36129 6.15763 6.511 6.4151 5.96485 5.92152 6.53954 6.48909 6.53353 6.3692 6.83388 6.92136 6.45074 6.34279 6.51079 6.41923 6.409045 6.499065 6.72477 4.84687 6.40034 5.80281 6.59644 6.36292 6.45285 6.17253 6.92774 6.8718 6.45036 6.724175 4.84139 6.56955 4.98758 5.78135 6.502085 6.473635 6.08171 5.53291 6.103715 6.44821 6.98176 6.126285 6.71004 6.57674 6.85566 4.50957 6.39646 6.540515 6.49522 7.040285 6.54136 6.222135 6.20188 6.6044 640192 6-Phenylthio-7H-benzocyclohepte 4.88383 4.8006 4.86597 4.74947 4.745825 4.713665 4.75425 4.8098 5.69487 4.69019 4.718205 4.7225 4.69026 4.68015 4.98192 4.70373 4.79018 4.768065 4.697125 4.74834 4.72597 4.70601 4.72346 4.74997 5.557005 4.82797 4.750475 4.771005 4.95701 4.839615 4.71025 4.54266 5.80222 5.58322 5.66353 5.83979 4.83973 4.74723 4.77225 NA 4.90503 4.836105 4.97436 4.76995 4.73732 4.65977 5.11165 4.705915 6.0566 5.48266 5.23421 4.65706 4.74039 4.760435 4.748335 4.561945 4.59255 4.771825 4.74629 5.46672 640322 [(Aminomethyl)(2-aminoethyl)dim 5.477715 5.62533 5.49515 5.7093 5.490885 5.825665 5.52408 5.84296 5.9187 5.450585 4.89597 5.17969 6.299835 5.53942 5.53245 5.73613 5.06803 5.80809 5.668405 5.57185 5.481675 5.509625 5.53131 5.53388 5.54595 5.529885 4.93584 5.57482 5.42403 5.334565 5.28112 5.386575 6.20717 5.468695 5.822925 6.27559 5.652765 5.34478 5.397585 5.600895 5.8112 5.79351 5.68916 5.371885 5.131015 5.64095 5.01956 5.52289 6.18597 5.57685 6.24442 NA 5.51083 5.53478 5.01938 5.60687 5.32042 5.32185 5.45078 5.48482 640499 Ethanol 6.98011 6.46105 6.42402 6.625 6.51871 6.31429 6.54424 6.60671 6.18017 6.54124 6.74072 6.9594 6.82479 7.001615 6.60843 6.5559 6.39577 6.59593 6.74341 6.48625 6.67417 6.77734 7.35422 6.79187 6.4248 7.34437 6.473865 6.6941 7.17521 7.09552 6.50479 6.50205 7.2173 6.75821 6.97808 7.08631 6.8092 6.765085 5.56603 6.38584 6.491535 7.15595 7.12905 5.98128 6.29073 6.00056 6.6515 6.37671 7.11956 6.5281 6.43303 6.694005 6.47545 6.96548 5.91461 5.60213 6.30911 6.18545 6.39623 6.31473 640500 640500 6.94992 6.44656 6.631735 6.70543 6.46853 6.30017 6.63985 6.68662 6.27145 6.64375 6.69228 7.234485 6.9217 6.75219 6.1744 6.5774 6.19606 7 7.46016 6.82251 6.72064 6.642315 6.72797 6.87996 6.4063 6.77414 6.41083 6.71838 6.753085 6.79498 6.59762 6.24135 7.54375 6.99401 7.40717 7.54342 6.53344 6.372775 5.953325 6.592155 6.621315 6.91725 6.85386 6.11255 6.34826 6.77207 6.378 6.1043 6.94829 6.81045 7.49286 NA 7.46789 7.14517 NA 6.37759 6.33539 6.27911 6.82634 6.82995 640737 640737 8 5.40254 NA 7.93956 5.34977 7.11251 7.413495 8 7.915935 7.08621 6.09737 5.542755 7.37347 7.38878 4.82134 4.21518 7.56998 7.54648 7.654755 8 7.47548 7.6948 6.69285 7.42623 7.853005 7.78573 7.69461 8 4.45198 6.93197 7.58884 NA 7.59576 8 7.278245 8 6.478115 4.7961 7.21653 7.29689 7.5282 6.83864 6.72982 6.093355 4 6.665885 6.61561 4.355765 8 7.525175 8 7.176335 7.662155 NA 7.38916 7.475205 8 8 4.53397 4.37309 641052 641052 5.09258 5.66706 4.6949 4.813655 5.111875 4.81584 5.108895 4.92015 5.72509 4.50903 4.602785 4.48776 4.47277 4.279515 5.308785 4.4947 5.16949 4.69327 4.65382 4.3052 4.70394 4.896145 4.74894 4.93445 5.67258 5.157885 4.65909 4.80747 4.7702 4.61472 4.683475 4.347585 5.808565 5.54832 5.716465 5.6958 4.80859 4.916955 4.62209 5.35815 5.28224 4.83005 4.97928 5.59429 5.00748 4.68746 5.57312 4.76883 5.750785 5.706725 5.13747 5.60729 4.68188 4.624335 4.707435 4.79484 4.65123 5.155615 5.12845 5.246975 641158 2-Chloro-1 4.85553 4.33972 4.7647 4.93107 4.50317 4.90512 4.818485 5.100085 4.75782 4.74112 4.45969 4.46294 4.64829 4.60635 4.43207 4.68462 4.837945 4.86089 4.63487 4.63519 4.62943 4.17823 4.42366 4.78533 4.50431 4.87977 4.68017 5.15677 4.74545 5.09806 4.39517 4 5.48145 5.40067 5.38543 5.231525 4.99124 4.57525 4.39595 4.54957 4.64135 4.42383 4.76926 4.31099 4.78025 4.72766 4.51524 4.4631 5.586465 5.415175 4.75527 NA 5.04855 4.35681 5.47539 4.66437 4.73264 4.77343 4.67931 4.23561 641174 641174 6.91665 6.3261 6.49173 6.44184 6.14216 6.5759 6.40247 6.40474 6.81215 6.3682 6.30094 6.04682 7.14561 6.16102 6.66353 6.54779 6.34946 6.75424 6.71598 6.44839 6.88386 6.03572 6.55596 6.84111 6.64744 6.586865 6.60433 6.83676 7.062165 6.24961 6.34382 6.28698 6.58684 7.09538 6.07532 6.49267 6.36875 6.192195 6.14459 5.894815 NA 5.563635 6.51386 6.26688 6.64304 6.32078 6.42828 6.36423 7.137 7.20783 6.22326 NA 7.1043 6.28512 7.08512 7.17668 6.12716 6.35533 6.28116 6.5545 641233 2-Naphthalenebutanamide 5.96511 5.86108 5.30637 6.22088 5.30859 5.41004 5.78421 5.67626 5.57114 5.3691 4.90969 5.51276 5.52064 5.22431 6.40749 5.22291 5.5422 5.34892 5.43293 5.57027 5.53927 5.46461 4.99727 5.56394 5.35187 5.42419 5.39207 5.53279 5.157495 5.34083 5.15201 4.86905 5.54581 5.40944 5.80852 5.47959 4.85361 5.36053 5.43758 5.19778 5.348305 5.2382 4.97228 4.591835 5.65958 6.006365 5.23776 4.9118 5.60383 5.64725 5.56197 NA NA 4.97591 NA 5.20381 5.76852 NA 5.45909 5.27238 641240 641240 5.82568 5.54963 4.83925 5.39472 4.88254 5.283035 5.39365 5.094975 5.28319 4.85226 4.44953 4.812195 4.64818 4.62941 5.466105 4.60065 4.77001 4.894835 5.0883 4.80714 4.77739 4.261585 4.5907 5.409775 5.479745 5.24765 4.798425 5.72506 5.01554 5.16739 4.667115 4.52107 5.500485 5.54722 5.48917 5.57433 4.77718 5.41474 4 4.70403 4.75805 5.24757 4.767785 4.08472 5.264995 4.492425 4.68939 4.64793 5.7823 5.51024 5.051795 5.63165 4.96147 4.63441 5.46786 5.12834 5.38224 5.76711 4.818725 4.72719 641241 2-Naphthalenebutanamide 5.37423 4.93227 5.13356 4.97883 5.05609 5.0664 4.89109 5.18461 4.98856 4.89998 4.759205 5.0008 5.33057 4.97614 4.64165 5.23441 4.92036 5.28922 5.34141 5.32378 5.66968 4.75539 4.96032 5.18271 5.31266 5.09014 4.91184 4.86643 5.040115 5.17846 4.78182 4.66453 5.63753 5.45153 5.78407 5.53155 4.858275 4.8812 4.86829 4.90477 5.380655 5.37221 4.90367 4.646365 4.8172 5.36505 4.97657 4.91532 5.113755 5.4751 5.14464 NA NA 4.57655 NA 5.14567 4.75974 NA 4.8464 5.04649 641245 Benzenebutanamide 5.91578 5.92348 5.63069 6.12114 5.73113 5.853585 5.79145 5.726675 5.774175 5.41936 4.92757 4.975065 5.50429 5.367855 5.49537 5.318845 5.77217 5.51379 5.52859 5.513665 5.59603 5.366365 4.86674 5.63583 5.6964 5.77785 5.47345 5.56647 5.67508 5.611285 5.11933 4.632285 5.717335 5.81067 5.87834 5.841815 5.140865 5.75151 4.822075 5.0957 5.67227 5.59839 5.60276 4.63855 5.828955 5.048385 4.88067 5.259955 6.39445 5.74957 6.09454 5.52331 5.65216 5.243095 5.61617 5.722335 5.7322 5.7564 5.42463 4.96432 641281 641281 5.57136 4.98029 5.180195 4.77624 4.60544 5.32672 4.93291 5.37442 6.22993 4.41667 4.55282 4.38372 4.57172 4.94792 5.45648 5.26859 5.12475 5.37684 5.42193 5.28012 5.34985 4.92777 4.991745 5.46851 5.09829 5.307845 5.10897 5.4302 5.345745 5.26654 5.42084 4.57211 5.492735 5.53365 5.46149 6.6254 5.37188 5.19889 4.76093 4.867875 NA 5.412405 5.29447 4.65982 4.34987 5.18425 5.4234 4.61579 5.8205 5.3397 7.29031 NA NA 4.77374 NA 5.44695 4.51807 NA 5.09004 5.63785 641283 641283 5.50637 4.56385 4.80595 4.70659 4.716045 4.96226 4.71449 5.19893 5.6282 4.41946 4.40793 4.4082 4.7583 4.5 5.42572 4.76476 4.52701 5.22884 5.161125 4.66274 5.17511 4.61841 4.59794 5.01656 4.84628 5.01252 4.80001 5.03597 4.87192 4.91888 4.84781 4.31821 5.49645 5.30412 4.85197 5.42459 4.82537 4.83416 4.55295 4.47495 NA 4.55501 4.70579 4.43385 4.45413 4.90588 5.34112 4.51486 5.65649 5.03634 4.43361 NA NA 4.57491 NA 5.41713 4.30604 NA 4.55684 5.50413 641285 641285 5.12144 4.48427 4.66241 4.61667 4.66139 4.711385 4.34268 4.83288 5.381685 4.34476 4.42318 4.27409 4.5593 4.274195 5.388035 4.57832 4.51077 5.08515 4.72326 4.498985 4.765145 4.47018 4.38188 4.66349 4.499745 4.60334 4.714815 4.74714 4.62291 4.65232 4.80805 4.40351 4.77205 4.87306 4.71025 4.61848 4.69227 4.69333 4.47651 4.48043 4.64894 4.43549 4.62501 4.42894 4.55574 4.807045 4.87666 4.31666 5.594905 4.667085 4.50343 4.20107 5.1601 4.404135 4.64621 4.674185 4.44222 4.46655 4.477855 5.287075 641296 641296 8.20177 7.376215 7.197935 7.16992 7.309985 8.27512 7.047455 7.667125 6.95587 7.39848 7.664045 8.40409 7.62412 7.595535 6.875665 7.058855 8.385895 7.964645 8.35697 7.947475 7.21862 9.07298 7.243505 8.87877 7.965695 8.32432 7.51572 8.47968 8.4923 8.07451 8.42117 7.69435 8.50365 8.820075 8.7437 8.38995 7.628695 7.7116 6.71023 7.264245 6.98001 7.71691 7.55284 6.850035 8.408255 6.6559 8.41471 7.183055 8.67753 8.520545 8.36631 8.42226 8.45335 6.71485 8.27519 7.19985 6.96779 6.977045 7.05461 8.74877 641297 641297 8.82966 6.98147 7.3199 7.255865 7.134905 8.663915 7.0805 8.082965 6.95167 7.483785 8.162045 8.9652 7.949825 8.412845 6.793055 7.029625 7.24559 9.129435 8.231415 8.365695 7.336445 9.57659 7.48786 10 8.062115 8.74454 8.07183 9.11512 8.84946 8.330775 8.581215 8.31137 8.8453 9.171825 9.08684 8.67159 6.759555 8.1483 6.8086 6.78427 7.13542 8.00207 7.60942 6.97158 8.34453 6.98556 8.53531 7.534295 8.8749 8.936955 8.47009 9.36345 8.741305 6.69478 8.85748 7.63107 7.085015 7.03277 6.914775 9.13415 641379 641379 4.8974 4.36188 4.53506 4.46827 4.28416 4.61643 4.54134 4.90513 4.82854 4.51433 4.67708 4.675085 4.69488 4.6505 4.78372 5.2524 4.50062 5.23834 4.91453 4.66274 4.67981 4.59265 5.19727 4.89207 4.91547 5.19628 4.82641 4.81425 4.95083 4.77773 4.66373 4.15891 4.67048 4.481575 5.050065 4.7396 5.45062 4.6109 4.36389 4.98299 4.803095 4.91882 4.55079 4.756615 4.47079 4.88737 4.78497 4.48281 5.30232 4.767455 4.78211 4.89642 5.3851 4.76191 5.14844 4.32977 4.64347 4.44856 4.91108 NA 641393 5H-Naphtho[2 4.826805 4.7127 4.72154 4.79227 4.70727 4.81138 4.744055 4.76839 4.829605 4.64683 4.37664 4.742995 4.65151 4.280795 5.266755 4.022925 4.7658 4.47745 4.642895 4.74853 4.72457 4.73571 4.357385 4.715845 4.68976 4.795665 4.74302 4.785735 4.71357 4.77661 4.5559 4 5.50761 5.168415 5.58822 5.229585 4.69863 4.75543 4.278395 4.74463 4.85122 4.700345 4.78109 4.409775 4.719285 4.731125 4.78986 4.642045 5.642255 5.17479 4.795585 4.40075 4.55115 4.72741 4.649185 4.823335 5.031345 4.60168 4.590215 4.83633 641394 1H-Benzo[a]carbazole-1 5.20868 5.29963 4.882315 4.778095 5.54576 4.82772 4.95526 4.87458 5.67911 4.73258 5.17696 4.78552 4.76009 4.938385 5.61646 4.76289 4.72301 4.818835 4.73646 4.752885 4.786 4.77365 4.58467 5.63392 5.67549 5.35651 4.75404 5.00962 4.85693 5.63287 4.75111 4.66112 6.53427 5.94671 6.41151 6.56733 4.85484 4.939805 4.75853 5.14357 5.76775 5.41896 5.50692 4.92523 5.18117 4.72145 5.50643 4.7673 6.44088 5.85256 5.67537 NA 4.86695 4.70266 5.35152 4.75259 4.84994 5.24928 4.87136 5.68944 641395 1H-Benzo[a]carbazole-1 4.91736 4.99146 4.86019 4.72448 5.01735 4.99622 5.21011 4.78023 5.75025 4.61125 4.91448 4.64437 4.72663 4.34587 5.67599 4.48235 4.7259 4.765835 4.78297 4.66208 4.77763 4.7782 4.66143 5.44794 5.73367 5.48616 4.75283 4.89595 4.8238 5.66561 4.69543 4.35071 6.53209 5.8677 6.29511 6.47686 4.81503 4.959295 4.74929 5.06708 5.60482 4.94757 5.42355 4.83425 4.95776 4.64863 5.29515 4.74652 6.57469 5.59574 4.96789 NA 4.72836 4.45782 4.75969 4.61451 4.5865 4.79043 4.55587 5.57915 641396 1H-Benzo[a]carbazole-1 4.7593 5.02504 4.81987 4.720645 4.89938 4.78742 4.8109 4.78383 5.628355 4.527025 4.74204 4.681485 4.59631 4.51436 5.326495 4.6403 4.50738 4.78 4.790255 4.62884 4.754775 4.740045 4.776085 5.276 5.574525 5.35917 4.728985 4.994325 4.8352 4.84815 4.56012 4.33838 6.333375 5.7496 6.039025 6.090145 4.83961 4.78239 4.64903 4.93015 5.272495 5.120345 5.153815 5.08388 4.90654 4.68635 4.940945 4.712475 6.040925 5.66318 5.611225 5.23666 4.8938 5.019 5.286385 5.092345 5.09917 5.05029 5.424235 5.65601 641484 (Z)-3 8.13564 6.87556 6.9502 7.79383 7.5 7.60832 7.27437 7.91788 7.91327 7.55427 6 7.24142 7.67242 7.23995 8.08955 7.75674 7.629905 8.23736 6.95278 8.59409 8.05063 8.13475 7.53579 8.25719 8.30063 7.46445 7.55214 8.07443 6.20986 7.53129 7.19616 8.01764 8.17542 8.40152 7.8374 8.31973 7.62771 7.798675 7.8529 7.41959 8.04223 7.80405 7.36819 6.625 7.40969 6.85774 7.84987 6.09165 8.5697 8.07487 7.426385 8.54368 8.488185 7.518445 6.84244 8.59331 8.691125 8.77529 6.74402 6.77028 641533 641533 6.663 5.58816 5.88753 5.58352 5.80391 5.842 6.10027 5.74269 7.02105 4.95688 4.89258 4.91257 5.47816 4.98653 5.905425 4.904415 5.498165 5.267285 5.70676 5.6531 5.77093 5.74095 5.42698 5.88717 6.01996 5.81363 5.46406 5.32916 5.294875 5.89204 5.28187 4.90639 6.995625 6.43286 7.03255 6.66897 5.49978 5.93282 4.84275 5.539125 5.83958 5.90657 5.63375 5.454335 5.53937 6.48754 5.42272 5.57848 6.46103 6.30653 5.35049 NA 5.63733 4.96914 5.62018 5.62734 5.56679 5.86349 5.55702 5.30847 641536 641536 5.7961 5.70167 5.745715 5.770315 5.71551 4.78617 5.73782 5.75348 5.35859 5.275445 4.96758 4.78803 5.604695 5.15756 5.93012 4.89417 5.62484 4.88886 5.15119 5.648645 5.591205 5.74649 5.77552 5.48226 5.74064 5.45132 5.74002 5.0961 5.25726 5.46154 5.30095 5.15864 5.61007 5.71685 5.73776 5.74903 5.30878 5.44318 5.1392 5.608095 5.58877 5.782875 5.10066 5.294545 5.73053 4.8985 5.691615 4.7097 5.72358 5.68068 4.95872 NA 5.59564 4.79016 NA NA 5.63701 5.23824 4.88169 5.31671 641548 Betuletol 5.24495 4.96584 4.286355 5.40065 4.81441 5.36847 4.76681 5.10912 5.19335 5.48574 4.724345 4.694735 5.82072 5.30095 5.17371 5.04745 5.09154 5.31296 5.16806 5.27133 5.01045 4.57024 4.52296 4.94126 4.61129 5.59777 5.14451 4.76723 4.44219 4.99615 4.72074 5.38523 5.28655 4.962085 5.61365 5.56675 5.23102 5.41199 5.14801 5.30448 4.92004 5.34782 5.57175 4.77035 4.05949 5.57807 4.59604 4.20549 5.45294 4.90845 5.35324 5.171545 5.019885 5.6269 4.88939 4.818685 4.74721 4.862915 5.07836 5.01053 641594 641594 5.71928 5.74375 5.60634 5.94527 4.87083 5.656735 5.344285 5.65077 5.748625 4.79116 4.87857 4.76648 5.041915 4.7547 5.76949 4.980105 5.253365 5.40128 4.86417 4.96239 4.889085 4.77129 4.82791 5.52841 5.72424 5.3818 5.21002 5.62322 5.556715 5.39117 5.38653 4.87121 5.70207 5.65217 5.62149 5.48939 4.96566 4.90641 4.71703 5.560545 5.55952 5.4943 5.39487 4.70195 5.42758 4.81415 4.8809 4.77017 5.68575 5.60769 5.63105 5.45408 5.28986 4.90643 5.64988 5.33952 5.7582 5.71406 5.20766 5.41749 641691 641691 6.80551 5.78673 5.93079 5.93044 6.250195 5.73773 6.627245 6.280925 5.99113 6.32237 5.78614 5.93145 6.75538 5.70719 6.3459 5.83529 5.826835 6.243295 6.121135 6.61444 5.8196 6.72324 6.46739 6.74129 6.920865 6.75584 6.28241 5.791075 6.560585 6.46883 5.783 5.74436 6.82596 7.03156 6.7984 6.61957 5.764345 5.97466 5.75251 5.8642 5.98898 6.803095 5.77922 5.772575 6.09193 5.75128 6.66025 5.91814 6.92466 6.639975 6.10703 5.91655 5.97369 5.832535 5.8365 6.29925 6.25955 6.33067 5.90417 5.790805 641820 641820 5.74285 5.39916 NA 5.53062 5.64787 5.44184 5.72025 5.48308 5.751775 4.83542 5.03852 4.952975 5.133215 5.06411 5.18691 4.76285 5.00579 5.49464 4.92411 5.20164 4.87833 5.547485 5.14638 5.7165 5.73567 5.4747 5.04777 5.71395 5.69218 5.6612 4.69044 4.78423 6.024715 6.02589 5.71281 5.79968 5.27578 5.68799 4.52616 5.06087 5.080175 5.11631 4.74444 4.66401 5.36656 5.098505 5.29311 4.75873 5.72097 5.51201 5.53437 NA 5.73697 4.89193 NA 5.10966 5.74346 5.61179 5.85219 5.64028 641821 641821 5.76994 5.61404 5.5302 5.46765 5.7269 5.76865 5.74054 5.75666 6.002395 4.71438 5.41845 5.23086 5.401795 5.142475 5.66109 4.81562 5.12593 5.63575 5.507755 5.46146 5.482885 5.690345 5.270975 5.7421 5.74556 5.70621 5.30142 5.67149 5.70098 5.75374 4.747205 4.73956 6.5195 5.98482 6.089235 6.303545 4.8206 5.70747 4.56447 5.39968 5.428335 5.56658 5.47484 4.70872 5.59556 5.37841 5.64973 5.64113 5.85823 5.57363 5.39873 NA 5.74585 5.24965 NA 5.34361 5.78035 5.54479 5.73948 5.6553 641822 641822 5.72241 5.37532 4.82736 4.99991 5.45418 4.98486 5.66928 5.33714 5.705745 4.71609 4.93364 5.1925 5.19337 5.053725 5.117005 4.74615 4.834765 5.45446 4.80569 4.914825 4.81833 5.74113 5.26183 5.69344 5.72408 5.25 4.99583 5.79864 5.67008 5.5239 4.67609 4.84669 6.013065 5.75278 5.71712 5.55592 5.39854 5.52425 4.68585 5.256525 5.06382 5.13458 4.72962 4.65585 5.02368 5.103605 5.42687 4.75592 6.25747 5.51282 5.59301 NA 5.80926 4.86063 NA 8 5.72527 5.6408 5.80033 5.73837 642009 Butanedioic 5.51455 5.61821 5.150365 5.99018 5.32685 5.40659 5.50388 5.74433 5.281845 5.50468 4.83868 4.95565 5.41043 4.94324 4.83684 4.90461 4.947905 5.28788 4.91934 5.16301 5.08429 5.26755 4.84356 5.40041 5.11348 5.36757 5.04895 5.5535 5.10437 4.91876 5.008485 4.73176 5.18289 4.77051 5.11485 5.3648 4.89658 5.2634 4.61475 4.761455 4.94376 5.07858 4.95829 4.72548 5.54841 5.07993 4.82118 4.78975 5.45236 4.84586 5.68723 NA 5.74694 5.72702 NA NA 6.09673 5.7887 5.6083 5.54191 642038 642038 6.12039 5.883215 5.73125 6.031195 5.666245 6.026905 5.79521 5.81948 5.73698 5.43041 4.97823 5.34653 5.74215 5.550835 5.0367 5.48317 5.73802 5.676485 5.559535 5.75517 5.68818 4.71679 4.977 5.61693 5.70847 5.707525 5.62413 5.784835 5.70825 5.48558 5.48573 4.93636 5.44677 5.72453 5.464705 5.39832 5.60117 5.74415 4.85238 5.223435 5.56863 5.629255 5.55698 4.70203 5.83354 5.70895 5.351525 4.952575 5.45474 5.19288 5.81001 5.192645 5.476505 5.24898 5.7021 5.645685 5.98761 6.291365 5.73204 5.472415 642049 642049 5.80072 5.52913 5.513975 5.90405 5.28995 5.498095 5.3991 5.72849 5.19627 5.43132 4.85203 4.86968 5.48882 4.91766 4.85728 5.14586 5.13728 5.44671 4.97756 5.38344 5.209055 5.03835 4.89423 5.38954 5.04065 5.42898 5.00904 5.40944 4.9586 5.28194 5.065355 4.7099 5.4235 5.20981 5.37697 5.44153 4.98613 5.17555 4.69353 4.76321 4.94485 4.94404 5.15687 4.60609 5.59551 4.869255 4.88135 4.75901 5.50523 4.94354 5.37041 NA 5.48494 5.1823 NA 5.69752 NA 5.64443 5.62962 5.45558 642061 642061 5.61179 5.70585 5.37925 5.97933 5.34946 5.75562 5.61067 5.69759 5.06172 5.325375 4.74188 4.79782 5.44489 4.897925 4.886235 4.80128 5.173045 5.0954 4.92876 5.0354 5.07297 5.08063 4.70204 5.19726 5.11381 5.28139 4.84681 5.78881 4.98965 4.99826 5.236095 4.60541 5.16574 4.87407 4.83339 5.32243 4.782025 4.96415 4.78646 4.708825 4.81899 4.96518 4.97405 4.469395 5.66417 4.88528 4.76361 4.76335 5.25167 5.266615 5.41389 4.74405 5.30077 5.09202 4.98938 5.104725 5.73189 5.73216 5.4236 5.232595 642099 Longikaurin 5.83519 5.83296 5.732745 5.76153 5.83536 5.72784 5.77487 5.797 6.54492 5.57904 5.50091 5.5376 5.61205 5.51022 5.856945 5.71298 5.814205 5.656175 5.78823 6.04975 5.773905 5.745365 5.7366 5.97529 6.20861 6.08795 5.56283 5.77681 5.71398 5.76691 5.6813 5.35625 6.675485 6.6936 6.73337 6.46449 5.75084 5.7838 5.63359 5.934065 6.39498 5.95599 5.7839 5.77795 5.86745 5.62937 5.8158 5.71108 6.553585 6.56926 5.75045 NA 5.72529 5.36724 NA 5.55736 NA 5.62536 5.83087 5.88554 642198 642198 9.384545 9.762805 10.134005 10.44106 9.72479 9.67993 9.445495 9.956865 9.70658 8.504 7 8.873995 9.51193 9.370435 9.87385 9.3042 10.27692 9.59712 9.008515 9.76589 9.67127 7 8.099615 9.88944 9.66575 9.43079 9.33171 9.698525 8.32692 9.49714 9.63889 9.24289 9.62159 10.05472 9.518175 9.68226 9.29808 9.27039 8.23508 8.875 10.163565 8.53445 9.19878 7.41214 9.666235 9.00797 7.04344 8.31117 9.928435 9.78514 8.59141 10.08973 9.44698 9.38076 8.099425 9.4895 10.6192 10.44308 7.312715 7 642409 642409 6.30881 5.73083 4.98016 5.28607 5.33553 4.628705 5.17053 4.61583 5.364345 4.58451 4.63019 4.75098 4.61022 4.62301 4.9127 4.43791 4.961735 4.76983 4.54869 4.421025 4.93364 4.77984 4.83271 4.30103 4.57526 4.80177 4.52075 4.438105 4.49645 4.37319 4.938105 4.54631 5.89249 4.98062 4.72614 5.04758 4.45545 4.45248 4.72482 4.69536 4.7495 4.88924 4.30103 4.6808 4.59536 4.84196 4.49657 4.30103 5.11433 4.90352 4.81086 NA 4.32065 4.3126 NA 4.85697 NA 4.30912 4.7761 4.8654 642410 642410 5.956495 5.712 4.99236 5.62791 5.163835 4.68417 5.38889 4.509095 5.16403 4.559855 4.4485 4.58478 4.486445 4.50739 4.87735 4.456835 4.87798 4.59753 4.59311 4.49081 4.66383 4.741215 4.6137 4.49802 4.862375 4.70675 4.48452 4.55071 4.492305 4.718175 5.0565 4.5721 5.59335 4.797645 4.74815 4.7549 4.50521 4.3076 4.90135 4.61543 5.03928 4.8796 4.30103 4.86493 4.6525 4.74568 4.48824 4.30103 5.12094 4.81494 4.64189 4.65576 4.69512 4.55025 5.20077 6.49829 4.30103 4.506535 4.926795 4.876915 642596 642596 4.755875 4.78485 4.72947 4.743035 4.80011 4.670945 4.93372 4.72561 5.74072 4.72341 4.6936 4.65203 4.67376 4.65712 5.08146 4.73645 4.71702 4.70757 4.6109 4.7441 4.79041 4.69401 4.538895 4.88866 5.671745 4.80583 4.713105 4.722265 4.75702 4.58562 4.70841 4.752275 5.70723 5.6525 5.492365 5.264925 4.73379 4.747575 4.72611 5.70102 4.94575 5.31982 4.87635 4.811195 4.744615 4.72779 4.9331 4.749365 5.39513 5.72486 5.5636 4.52792 4.74826 4.65545 4.76462 4.61987 4.748375 4.73093 5.04483 4.771535 642597 642597 4.76481 5.19101 4.725185 4.81598 4.79106 4.75517 4.97535 4.74396 5.7035 4.69751 4.717 4.77108 4.65376 4.72324 5.58028 4.73889 4.86237 4.77583 4.65799 4.697625 4.758535 5.152845 4.71645 4.98982 5.68708 4.81217 4.80782 4.86011 4.62577 4.64182 4.68805 4.74351 5.693595 5.66017 5.66618 5.63141 4.72341 4.74909 4.75387 5.228825 5.1546 5.4017 4.85539 5.29973 4.78126 4.72196 5.48881 4.72274 5.64706 5.70224 5.3574 NA 4.75225 4.79891 NA 7.43403 4.77421 4.78067 4.79689 4.87307 642600 642600 4.801525 4.4575 4.806935 4.653125 4.95088 4.888805 4.55411 4.6235 4.74491 4.50012 4.943075 4.864075 4.811905 5.14075 5.17376 5.284365 4.834935 4.851285 5.25474 4.78464 4.663655 5.26236 5.444435 4.94938 4.538425 4.954215 5.4149 5.667605 4.99803 4.851095 5.22944 4.527085 4.68042 5.0126 4.72786 5.34038 4.872705 4.50283 4.77306 4.71494 5.395925 4.683435 4.75255 4.644715 4.68932 4.364095 4.72361 4.529135 5.68632 5.50506 5.18019 4.48316 5.09362 5.236695 4.410935 5.19688 4.433805 6.015415 4.312035 5.648345 642642 642642 5.71408 5.40562 5.484285 4.91164 5.5663 5.00246 5.77459 5.70056 5.735285 4.6771 4.78393 4.85847 5.52834 4.82547 5.120445 4.63377 4.89482 5.62807 5.22398 4.796925 5.008555 5.64421 5.71162 5.68415 4.891635 5.77858 4.89106 5.74808 5.722675 5.48156 5.153835 5.74366 5.70771 5.69495 5.72148 5.79254 5.70557 5.68671 4.82647 4.50952 5.6871 5.04615 4.92805 4.73414 4.8159 4.75938 5.64707 4.82443 5.65954 5.04243 5.47973 NA 5.75246 4.90386 NA 5.81198 5.68221 5.7426 5.74396 5.613 642684 642684 4.49723 4.56399 4.35907 4.52479 4.3251 4.55107 4.43927 4.63179 4.55469 4.50613 4.46334 4.47918 4.41744 4.49178 NA 4.38803 4.25547 4.513075 4.36055 4.33063 4.54831 4.29227 4.44374 4.50881 4.45154 4.5143 4.48489 4.58415 4.37943 4.35956 4.9092 4.57156 4.52786 4.75045 4.602 4.243705 4.600755 4.40481 4.346865 4.36828 4.66458 4.41674 4.60164 4.39088 4.41421 4.420835 4.52608 4.35893 4.69561 4.56163 4.61835 NA 4.72001 4.62028 NA 6.68023 4.75401 4.55303 4.48739 4.78402 642915 642915 6.09913 4.84554 5.08088 4.84959 4.59898 5.97719 5.36557 6.0144 6.03777 5.17135 4.67061 4.40077 6.1713 5.9993 6.085125 5.51743 5.53635 5.878015 5.93204 5.349055 6.05228 4.76083 5.51231 5.51043 5.65437 5.63863 4.81249 5.73695 4.93171 5.71904 4.72139 4.876 6.75379 5.54064 7.32513 7.75084 5.06855 5.93814 4.77533 6.124165 5.773625 6.44452 5.99441 4.87337 4.85138 4.96603 5.56505 4.79347 6.9 5.54302 6.43572 NA 5.60242 5.13 NA NA 5.12165 4.83397 5.63923 5.56443 642947 642947 5.86849 5.84401 6.41976 5.98765 6.57423 6.482655 5.757565 6.283655 5.74242 5.82845 6.3624 6.46718 6.48726 6.28183 6.278215 6.35496 6.56197 6.684435 6.56542 6.63037 6.672 6.71609 6.48759 6.88674 6.772875 6.655285 6.419965 6.61303 6.468795 6.71786 6.25279 6.21815 6.42684 6.616685 6.33571 5.67229 6.42205 6.52702 5.83041 6.09114 6.83406 6.773085 6.66479 6.1029 6.35909 5.779085 6.47308 6.37586 6.68863 6.675035 6.50328 6.79286 6.64753 5.97538 7.16411 6.71476 6.5497 6.48933 6.84118 6.697955 642968 642968 6.53963 5.87821 5.48297 6.27778 5.77306 5.91743 5.91923 6.12651 5.59645 5.71009 4.80257 5.678 5.95878 5.563995 5.052685 5.37735 5.705845 5.47506 4.95513 5.734895 5.59996 5.47614 5.398625 6.07965 6.36915 6.2851 5.44949 5.65248 4.94426 5.58818 4.948115 4.71545 5.4349 6.40478 5.21031 4.99122 5.6157 5.84966 4.80039 4.70427 4.87087 5.17899 5.25831 4.90552 5.73987 5.84501 5.28465 5.36717 5.54133 5.56775 6.2527 5.44419 6.15991 5.90607 4.71919 5.91049 6.78099 6.71382 6.051175 5.527195 643027 Diethyl 5.81782 5.70639 5.733005 5.69042 5.6719 5.58877 5.55598 5.73509 5.37485 4.93016 4.79951 4.84023 4.75101 5.484 5.39495 5.1294 5.574765 5.474625 5.46005 5.289545 5.415985 5.48498 5.07711 5.64947 5.62109 5.62972 5.27315 5.33922 5.08651 5.69646 5.16678 4.95101 5.70433 5.73998 5.716835 5.59834 5.36209 5.6256 4.78135 4.85216 5.63453 5.71813 5.23478 5.111145 5.615695 5.49082 5.44078 5.49139 5.756 5.55568 5.38843 NA 5.66596 4.93587 NA NA 5.58826 5.3557 5.73577 5.23277 643416 643416 5.30535 5.67574 5.70458 5.59718 5.361815 5.41662 5.61139 5.99009 5.970555 5.22207 4.78915 5.34776 5.43429 5.675805 5.333235 5.278505 5.755485 5.43778 4.90285 5.733785 5.57027 5.51793 5.42684 5.50156 5.56654 5.51924 5.55743 5.69363 5.08655 5.25528 5.37772 5.59271 5.57702 5.8804 5.47668 5.6666 5.263235 5.20076 5.09074 5.50719 5.64922 5.44765 5.206665 4.96401 5.2835 5.13104 5.59545 4.31162 5.62978 5.41725 5.648355 5.788345 5.75 5.44074 5.19725 5.72644 6.1226 6.1144 5.054345 5.371485 643735 1 4.8353 5.28468 4.54674 5.11766 4.57784 5.3698 4.81628 4.79323 4.55555 4.700275 4 4.711375 4.81823 4.48371 4 4.57008 4.76269 4.66472 4.45259 4.62566 4.585825 4.49009 4.71488 4.47005 4.47028 4.694205 4.347825 4.69295 4.099095 4.554875 4 4 4.30796 4.40832 4.31657 4.70357 4.46809 4.76277 4.05285 4 4 4.38726 4.20736 4 4.73873 4.6311 5.14839 4.21414 4.19235 4.39962 5.50091 4.49759 4 4.6487 4 4.86356 5.59149 5.35482 4.8061 4.36858 643813 643813 5.173865 5.32743 5.316145 5.35435 5.19195 5.52538 5.46664 5.275 5.556945 4.45493 4 5.0191 5.46069 5.38309 5.17228 5.34141 5.48085 5.29554 4.89191 4.86835 5.53977 4 4.024365 5.47756 5.41394 5.11581 5.3193 5.59911 4.703525 5.36382 4.41186 4.5721 5.44337 5.45997 5.3335 5.4038 5.24035 5.20503 4.74131 4.027345 5.014465 4.422065 5.09806 4 5.25625 4.57967 4 4 5.57357 5.27096 4.44742 5.71336 5.38157 5.21968 4.91039 5.53299 5.75719 5.72611 4.868705 4.8399 643826 643826 5.38748 4.84686 4.76497 4.86713 4.770875 5.05473 5.46188 5.325815 5.421865 5.25236 4.75738 5.07903 5.73803 5.498155 5.723465 5.483255 5.575465 5.70558 5.499 5.58036 5.09156 5.495325 5.778925 5.322135 5.2047 NA 5.76075 5.100625 5.4135 4.819595 5.835425 4.88711 5.689265 4.95712 5.78486 5.65089 4.7667 5.15616 5.29566 5.40903 5.80766 5.7214 4.92649 5.76829 4.81843 5.51124 5.79615 5.66774 5.814585 5.708565 4.996095 4.61025 5.81615 4.993725 5.24198 5.49551 4.80819 4.80576 5.03739 4.73512 643827 643827 5.28875 4.88623 4.82053 5.09061 4.82778 5.47809 5.36816 5.53491 5.79659 5.65753 4.89142 5.16081 5.97448 5.68814 5.93322 6.03978 5.92536 5.8249 5.828615 5.94304 5.42551 5.89396 5.81708 5.83096 5.47745 5.50329 6.07127 5.64948 5.57672 5.50693 6.27381 4.95081 5.82893 5.04502 5.73336 6.46724 5.12378 5.481755 5.54385 5.67129 6.0843 5.87874 5.71902 5.86171 4.96438 5.36541 5.96941 5.65504 6.34067 6.25421 5.40106 4.7477 6.42651 5.65303 NA 5.30727 5.2941 5.37735 5.59732 4.85386 643828 643828 4.66063 4.82578 4.386405 4.78 4.44931 4.677385 5.052885 4.942825 5.14856 4.765825 4.72367 4.717025 5.499355 5.053125 4.8674 5.057765 5.31338 5.34539 5.1486 5.177145 4.841915 5.46562 5.08105 4.86355 4.898475 5.114985 5.60363 4.63668 5.13346 4.727695 5.75336 4.90385 5.457385 4.886145 5.77558 5.37033 4.693145 4.56224 4.97142 5.423825 5.521175 5.01636 4.69908 5.60377 4.50236 4.72773 5.78099 5.4564 5.66442 5.27552 4.53072 4.194345 4.74257 4.50222 4.24274 4.33599 4.32874 4 4.41506 4.093065 643833 "CPT,14-Cl (S)" T1-T1-T1 5.82726 5.38769 4.886075 5.70188 5.09469 5.661315 5.67636 6.287685 5.80184 5.72202 5.143915 5.43668 6.4111 6.189505 5.14441 5.63777 5.735605 5.977835 5.967115 5.84456 5.683505 5.66501 5.36524 5.89406 5.694735 5.09795 5.168955 5.19454 5.05747 5.5103 5.410025 5.403165 6.475655 5.70465 6.50444 6.55475 5.967275 5.59178 5.65428 6.120835 5.611395 5.97033 5.92412 4.829955 5.453365 5.69686 5.182345 5.31008 5.58351 5.69842 6.15019 5.744 5.30654 5.715835 4.215435 4.503455 5.04821 5.140005 5.06216 5.8838 643847 643847 6.85458 6.77935 6.96512 6.29767 6.60213 6.846695 6.70074 6.76991 7.964945 5.79847 5.857155 5.94305 6.048395 5.793915 6.79883 6.69839 6.751695 6.56299 6.76633 6.3008 6.51939 5.90397 6.46716 6.56797 7.04123 6.757965 6.02677 6.40524 6.15405 6.57884 5.89029 5.905405 7.94828 7.52798 7.12902 6.50181 6.05079 6.32861 6.546405 7.10273 6.815395 6.82803 6.7487 6.51462 6.818 6.55662 6.74837 5.85249 6.93689 6.9841 6.87707 6.07414 5.92021 5.9962 6.23233 6.54983 6.23723 6.44699 6.61762 7.50723 643853 643853 6.97202 6.92441 6.8141 6.27971 6.82169 6.95231 6.64837 6.8215 8 5.74771 6.11386 5.89095 5.87291 5.84044 6.93067 6.18247 6.50421 6.76554 6.75832 5.97365 6.63541 5.99707 6.20989 6.52738 6.99437 6.61425 5.95099 6.25181 6.44057 6.54862 5.96226 6.14944 8 7.46439 7.27603 6.98575 6.33967 6.48851 6.69562 6.934475 7.88381 6.85967 6.68441 6.78088 6.81006 6.46676 6.48614 5.69783 7.10305 7.5405 7.33485 6.52227 6.22929 6.34037 6.66091 6.86983 6.88699 6.65095 6.91901 7.72315 643855 643855 6.85236 6.88421 6.81886 6.28407 6.7864 6.92949 6.33704 6.69885 8 5.74345 6.20873 5.88097 5.8772 5.72961 6.85109 5.99366 6.43363 6.64708 6.62549 6.37613 6.50341 5.96902 6.1744 6.52022 6.95721 6.594405 5.98544 6.24585 6.20986 6.44217 5.96964 5.93604 7.92713 7.49191 7.11882 6.96703 6.32904 6.47843 6.624315 6.98631 6.99515 6.77214 6.56424 6.58969 6.64363 6.46345 6.27191 5.70952 6.92079 7.202425 7.08505 6.28259 6.11975 6.18966 6.36087 6.62474 6.35061 6.62109 6.64833 7.65327 643859 643859 7.08521 6.97852 6.98984 6.29867 6.87548 6.97177 6.69816 6.75806 8 5.66015 6.33157 5.89081 5.84592 5.77455 6.75265 6.3 6.65784 6.90603 6.78267 6.26105 6.73779 6.04184 6.35724 6.64177 7.19527 6.66135 5.97497 6.1696 6.53438 6.54224 5.97064 6.10176 8 7.47092 7.3608 6.97409 6.22463 6.60255 6.827255 6.95762 7.41982 6.8801 6.68844 6.73545 6.68734 6.59345 6.4304 5.70821 7.25355 7.418005 6.98017 6.24101 5.99798 6.2697 6.39168 6.66562 6.40508 6.49927 6.59212 7.52931 643862 643862 6.83135 6.90666 6.70137 6.2774 6.78949 6.59257 6.43827 6.62021 8 5.7632 6.25391 5.85889 5.82201 5.69126 6.68575 6.09648 6.22951 6.77454 6.65074 6.011 6.51421 6.02063 6.19276 6.57373 6.89741 6.60911 5.88965 6.139 5.99907 6.33083 5.99189 5.83154 7.80245 7.38913 7.05905 6.77789 6.04966 6.47872 6.60913 6.87166 6.86476 6.72213 6.61711 6.49945 6.1363 6.30583 6.42316 5.66773 6.81185 6.856985 6.30501 5.82677 5.63919 5.62454 5.8744 5.82456 5.81233 5.89712 5.85058 6.54222 643915 643915 6.67332 6.52815 6.4153 6.55166 5.88264 6.61458 5.89765 6.36353 5.74885 5.58107 5.59664 5.735965 5.75744 5.64963 5.59711 5.313895 5.75528 5.93257 5.65104 5.80008 5.96028 5.73353 5.66211 6.3003 5.86435 5.696685 5.79998 6.38847 6 6.26903 5.80556 5.56264 5.889275 6.36496 5.95591 5.443475 5.74919 5.89427 5.206535 5.53722 5.88621 5.77564 5.85606 5.50223 6.54974 5.73079 5.63793 5.73873 6.16078 5.72324 6.09866 6.34036 6.52828 5.76203 6.44427 6.03292 6.73753 6.70642 5.82078 6.20341 644011 644011 5.80431 5.7961 5.72432 5.73781 5.84177 5.69083 5.75733 5.66975 6.38173 5.12787 5.54115 4.72711 4.82558 4.71135 5.8668 4.77394 4.92043 4.91639 4.97575 4.81144 5.17189 5.69493 5.159875 5.81528 5.96395 5.811965 4.93864 5.7725 5.70495 5.83742 4.97455 4.82931 6.47923 5.68387 6.06901 5.72003 5.71652 5.70004 5.49298 5.76192 5.79443 5.8081 5.75574 5.73747 5.75231 5.51662 5.87567 5.0893 5.81187 5.74653 5.58817 5.57782 5.01614 4.82089 5.69421 5.62257 5.7386 5.78333 5.487 5.69873 644582 644582 6.31698 6.60651 6.389425 6.78144 6.4036 6.45192 6.82082 6.64457 7.187445 6.2764 5.15707 6.35228 6.46408 6.419005 6.387315 6.28287 6.511485 6.513985 6.26444 6.6467 6.47049 6.58113 6.16916 6.52437 6.86751 6.50825 6.57248 6.83451 6.1774 6.35734 6.37232 6.82746 6.20632 6.59868 6.31834 6.26953 6.19736 6.22944 6.59168 6.240735 6.66594 6.47839 6.10938 5.927795 6.35995 5.83083 6.56221 5.4669 6.732095 6.35084 6.51831 6.81692 6.67619 6.5932 6.25064 6.855235 7.55696 7.53323 6.27768 5.867505 644751 644751 5.289595 4.827425 4.80466 4.799925 4.64471 4.810175 4.776945 4.77838 4.61471 4.27856 4.536715 4.40179 4.54987 4.37337 4.557875 4.25089 4.35326 4.581545 4.767795 4.668115 4.64466 4.20749 4.37853 4.656215 4.71232 4.71067 4.642745 5.22839 4.781045 4.771655 4.7233 4.0915 5.433385 5.08901 5.493375 5.05331 4.3803 4.75974 4 4.164345 4.67485 4.586385 4.561095 4 4.785495 4.158445 4.081565 4 5.29279 4.83023 4.81691 4.86853 4.747145 4.10784 4.698095 4.67772 5.12545 4.900885 5.049015 4 644902 Benzo[b]naphtho[2 5.7904 5.93539 5.69724 6.50926 5.59759 6.51075 5.79557 5.74448 4.86845 5.46944 4.96131 4.97133 5.49947 4.88993 4.85055 5.0789 5.60115 5.202495 4.96366 5.52869 5.39195 5.66904 5.404745 5.21626 5.09626 5.32 5.12662 5.60998 5.12229 5.1169 4.94564 4.8122 4.91621 4.88978 4.94868 4.913495 4.91373 5.0288 4.70627 4.767605 5.07126 4.947515 5.19096 4.688595 5.57098 4.805 5.80168 4.85689 5.19686 5.24499 4.97181 4.97204 4.97612 5.33662 4.88342 5.64116 5.73524 5.73968 5.30433 4.783015 644908 644908 6.79076 6.60469 6.71783 6.63255 6.68959 6.48354 6.67515 6.73089 6.88004 5.83198 6.49455 5.93974 6.11334 6.40719 6.91337 6.58943 6.37013 6.45376 6.69121 6.08245 6.59213 6.32733 6.418535 6.46489 6.7259 6.80358 6.20534 6.90128 6.68822 6.70533 6.69253 5.89152 7.31956 7.30011 6.95647 7.013345 6.73949 6.58808 5.93509 6.86423 7.12268 6.93107 6.42604 6.65076 6.59124 6.2449 6.66412 5.98355 7.05851 7.00917 6.46369 6.61482 6.29107 6.21371 6.56163 6.67621 6.51961 6.71524 6.64749 6.862 644916 644916 7.00491 6.86513 6.69289 6.83728 7.025835 6.80481 6.76189 7.25592 7.37324 6.06818 6.20791 6.57712 6.81939 6.633755 7.44257 6.38962 6.79128 6.52785 6.61866 6.80976 6.97025 6.88554 6.38877 7.11286 7.04938 6.750105 6.6291 6.80099 7.23187 7.16108 6.749885 6.95424 7.60575 7.50934 7.48387 7.661885 5.97806 6.59324 5.822355 6.94795 6.88492 7.23878 6.2228 6.13674 6.6406 6.16726 6.93879 6.43238 6.97352 7.47004 7.48944 7.73258 7.54853 7.73839 7.36021 7.58965 7.03499 7.47635 7.77682 7.71396 644934 Bisacetylacetone 5.78491 5.69896 5.42168 5.39776 5.72171 5.48089 5.68306 5.67648 6.01014 5.04473 5.25961 4.96326 5.46233 4.63316 5.76378 4.84679 5.37973 5.30376 5.48473 4.98327 5.490195 5.43936 4.90259 5.74934 5.76714 5.569385 5.50145 5.54345 5.60063 5.68035 4.97089 4.96918 5.86132 5.77912 5.6814 5.97398 4.93415 5.49807 5.001235 5.54745 5.82449 5.75999 5.44992 5.50717 5.32353 5.02855 5.69435 5.13725 5.74967 5.79183 5.57932 5.50233 5.29845 5.55732 5.56559 5.5748 5.58664 5.77579 5.55866 5.90992 644945 644945 7.030635 6.57233 6.12934 6.44432 5.98585 6.74402 6.64015 6.97362 6.72947 7.3376 6.43945 5.64835 8 7.30294 7.23391 6.54089 6.46569 7.28923 6.82292 6.97564 7.18716 6.11695 6.111195 6.21409 6.2125 6.218135 6.18516 5.83456 5.70323 6.14117 5.82574 6.89274 7.49507 6.49403 7.910255 7.62886 6.48131 7.17647 6.98012 7.33362 6.5043 7.11686 7.35557 5.5685 5.89631 7.29711 5.760855 6.12221 8 6.02836 7.31452 5.57301 6.09375 6.87292 5.58081 5.8185 5.69823 5.67387 6.30244 6.43297 644960 644960 6.17642 4.853665 4.730445 4.89275 4.66212 5.377645 5.074365 6.494 4.83348 5.54692 4.581745 4.736195 6.886175 5.93158 4.879835 5.35297 5.127255 5.912865 6.2261 6.030225 6.478975 4.68185 4.86789 4.46708 5.206645 4.83639 4.88278 4.677395 4.49453 4.46922 4.74984 4.79615 5.412565 4.96484 6.029265 5.871685 4.85437 4.944905 4.87696 4.9733 4.97228 6.61407 5.99697 4.538675 4.78093 5.03725 4.809745 4.65067 5.796165 4.76111 4 4 4 4 4 4 4 4 4.71637 4 644967 644967 4.54652 4.39247 4.326275 4 4.243565 4.628955 4.31125 5.61933 4.371355 4.718985 4.149305 4.200735 5.839955 4.881325 4.47459 4.65471 4.66819 4.957035 5.579955 5.162735 5.531245 4.3291 4 4 4.450075 4 4.378015 4.172065 4.16086 4.38305 4.35856 4 4.79962 4.38504 4.944715 5.857055 4.67639 4.39231 4 4.572005 4.40815 6.31129 4.945385 4.325845 4.26979 4.35031 4.367495 4 5.041805 4.37712 4.78879 4.83974 4.449575 4.58976 4.65878 4.65442 4.45517 4.8264 4.67229 4.83827 645008 Intoplicine 6.59402 5.94751 5.98684 6.088975 5.88301 6.27109 5.90947 6.15365 6.92114 6.44952 5.81348 6.38443 7.29284 6.58073 6.72888 6.23373 6.29988 6.79775 6.49483 6.07971 6.43459 6.44649 6.486685 6.60351 6.6565 5.334 6.1809 6.29749 6.67179 6.58049 5.84489 6.31614 5.491385 6.53059 7.68792 7.21019 5.62724 6.61086 5.80793 6.25729 6.25198 6.59722 6.25629 5.72428 5.73219 6.53645 6.66346 6.034085 5.94218 6.23268 6.51131 5.46303 6.23282 5.88811 6.05601 6.48769 5.9573 5.98537 5.81883 6.31391 645033 645033 4.7069 4.730955 4.749265 4.71793 4.782155 4 4.782315 4.73103 4.46901 4 4.195145 4.4172 4.341625 4.15752 4.625775 4 4.606215 4.233215 4.255565 4.44973 4.485735 4.67903 4.73889 4.50233 4.23862 4.16314 4.10624 4 4 4 4.21204 4 4.60478 4.71316 4.633695 4.82473 4.352975 4.174055 4.53275 4.10421 4.733235 4.34384 4 4.39846 4.75295 4.203785 4.76675 4.417455 4.81286 4.62756 4.571845 4.295745 4.50653 4.04006 4.31667 4.57109 4.715595 4.71993 4.259485 4.505345 645145 645145 5.276745 4.6744 4.773265 4.780085 4.73122 4.745905 4.777345 4.821585 5.184795 4.464545 4.62836 4.65796 4.73704 4.67643 4.996325 4.66441 4.78023 4.7855 4.73755 4.715315 4.802425 4.774965 4.65047 4.927765 4.9633 4.75024 4.7581 4.806305 4.86077 4.85661 4.72976 4.65053 5.477445 5.572955 5.45021 5.440695 4.76221 4.71986 4.164375 4.741175 4.775525 5.220905 4.79911 4.68094 4.78575 4.6777 4.91399 4.670555 5.52347 5.44903 4.906445 5.11178 4.88405 4.86215 4.83353 4.591525 4.763935 4.91206 4.84363 5.68591 645151 645151 5.08675 4.88886 4.78589 4.819495 4.79751 4.76999 4.94632 4.79346 5.592375 4.657465 4.597775 4.571255 4.674025 4.65939 4.84495 4.629335 4.75129 4.73122 4.842215 4.750005 4.77218 4.74752 4.666715 5.226765 5.53138 4.75994 4.800015 4.80779 4.80868 4.83856 4.723155 4.7314 5.84442 5.48713 5.64417 5.83187 4.841285 4.71793 4.65852 4.864875 4.701855 5.09049 4.92448 4.856485 4.82345 4.69219 5.618785 4.739485 5.78741 5.53793 4.86498 4.73864 4.79744 4.74449 4.59292 4.754345 4.838445 4.894275 4.74609 5.096025 645153 645153 4.723155 4.78702 4.813345 4.80552 4.76691 4.858835 4.855625 4.761805 5.111065 4.65641 4.67637 4.64337 4.792745 4.66231 4.6167 4.764005 4.57825 4.75141 4.65656 4.678905 4.66268 4.71804 4.71858 4.74556 4.847235 4.72371 4.75264 4.67491 4.74568 4.68576 4.691475 4.57743 5.50261 5.492615 5.470625 5.25998 4.820635 4.664825 4.60584 4.498145 4.59214 4.76722 4.71395 4.4999 4.732835 4.613005 4.900585 4.608625 5.532875 5.04053 4.783545 4.5064 4.711645 4.738 4.644395 4.53371 4.61859 4.742925 4.623995 4.80713 645157 4 4.66372 4.69937 4.642905 4.82097 4.69744 4.67604 4.716165 4.727335 5.22163 4.3739 4.479835 4.61326 4.520035 4.520275 4.50403 4.721375 4.437945 4.63495 4.486725 4.505955 4.577485 4.490665 4.63266 4.66576 4.608165 4.50497 4.74661 4.684355 4.48744 4.57807 4.544035 4.364735 5.52925 5.59813 5.51958 5.35468 4.68306 4.54916 4.617415 4.362845 4.66131 4.58315 4.476255 4.46402 4.630225 4.51187 4.78481 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5.69161 5.29667 4.38872 4.86579 4.94606 4.15943 4.57053 4.55747 5.08041 5.46507 4.79924 4.88288 645161 645161 5.54708 4.78424 4.9445 4.80379 4.702075 5.04872 4.96845 4.82017 5.28596 5.36087 5.22792 5.40645 5.84653 5.18849 5.15886 5.37107 5.01742 5.27549 5.41071 5.3503 4.952185 5.551845 5.84138 5.78743 5.79992 5.53676 6.00338 4.9662 5.7005 5.62038 5.05737 5.34605 5.70818 5.76186 6.30767 5.62306 5.36202 5.09921 4.83722 5.03986 5.341395 5.74286 5.395835 5.2388 4.81439 4.96346 5.42926 4.85237 5.84702 5.678225 4.68077 5.85135 5.3198 5.28533 5.27803 5.39464 5.33263 5.25396 4.8403 4.5998 645205 645205 -1.07698 -1.48836 -0.73768 -0.85604 -1.58933 -1.134775 -1.525605 -1.30582 -1.04985 -1.36136 -1.20546 -1.250755 -1.18851 -1.27947 -1.64604 -1.35729 -0.7978 -0.9075 -1.37622 -1.261135 -1.02257 -1.04996 -1.587775 -0.75754 -1.432915 -1.27549 -0.82208 -0.62108 -1.16906 -1.29914 -1.12588 -1.27499 -0.9705 -1.128205 -0.91448 -1.00482 -1.44949 -1.49619 -1.47558 -0.7169 -0.92337 -0.97496 -1.22045 -1.0002 -1.319265 -1.30697 -1.17773 -2.11413 -0.84862 -1.06808 -1.0836 NA -1.04215 NA NA -0.64072 NA -0.86176 -0.71553 NA 645210 645210 5.72372 5.755195 6.173165 6.09006 6.217575 6.197555 6.120085 6.423965 6.641255 5.580425 5.523585 5.24306 5.8996 5.279415 5.982765 5.45387 6.13934 6.30249 5.979805 5.52964 6.509735 5.28488 5.42741 6.369075 6.16257 6.26051 6.29082 6.21685 6.09206 5.630285 5.860445 5.61379 6.546755 6.17094 5.91808 6.27275 6.24815 5.546385 5.32946 5.554945 6.681935 5.524855 6.25281 5.68387 5.79668 5.759975 5.669335 5.41206 6.53493 6.402705 5.4266 5.70983 5.9036 4.99379 5.57108 6.18262 5.55791 5.55617 5.86636 5.72684 645301 645301 4.89435 5.53758 4.9719 4.80999 5.32706 5.31837 4.76075 5.10202 5.81455 5.58442 5.92153 4.96681 4.93702 4.72455 4.86563 5.43596 5.38971 5.516485 6.20163 4.7121 4.99417 5.15036 5.072015 5.03715 5.23085 4 6.065525 5.42225 4.95864 4.93245 4.95291 4.95916 5.16858 5.02017 5.91314 5.3509 4 5.52884 NA 4 4.673505 4.93672 4.15469 4.5753 4.9472 4.88283 5.40344 4.761225 4.47256 5.09124 4.70243 4 5.31646 4.87048 4.9882 5.47463 5.04964 5.12073 4.95871 5.32934 645302 645302 4.7258 4.95353 4.76226 4.80427 4.90422 5.09971 4.73013 4.87797 5.5782 5.14856 5.24645 4.75646 4.87928 4.82932 4.72429 5.02146 4.87718 5.19301 5.4473 4.57116 4.73367 4.93441 4.850595 5.09973 4.96969 4.0664 5.574845 4.83389 4.71703 4.87273 4.75327 4.78096 4.61493 5.14536 5.35614 5.18506 4.31083 5.09146 NA 4.32837 4.66284 4.71209 4.52183 4.58016 4.79189 4.71608 5.2906 4.66137 4.2764 4.969555 4.90699 4.5271 5.28827 4.82493 4.86888 5.19398 4.86048 4.97581 4.89964 5.31475 645305 645305 5.34773 5.06897 4.87133 4.85272 4.6771 5.49903 4.82462 4.68901 5.67239 6.24077 4.905245 5.267775 5.387995 5.112155 4.954055 5.5605 5.548825 5.80923 5.714865 5.345015 4.916395 5.39304 5.06796 5.30556 5.683845 4 5.83874 5.438715 5.37829 5.675695 5.50171 5.4094 5.447215 5.67634 5.44875 5.55917 4.314645 5.67366 4.33944 4.44749 4.7967 5.53643 4.03278 4.748895 4.74318 4.80743 6.18163 5.06755 5.30357 5.40935 4.71388 4 6.07114 4.98577 6.02488 5.584845 4.86352 4.79682 5.545365 5.563675 645306 645306 5.74967 4.85249 5.088325 5.06648 4.84413 5.552545 5.477105 4.95393 5.786255 5.558395 5.03972 5.18772 5.515645 5.321405 4.898505 5.335755 5.22921 5.83626 5.62482 5.274665 5.124055 5.442235 5.19529 5.61566 5.80815 4.510985 5.46557 5.360055 5.305395 5.809275 5.415055 4.91415 5.86262 5.61157 5.69593 5.731675 4.93239 5.53251 4.70501 4.83203 5.0464 5.52918 4.8911 4.95035 4.87109 4.99779 5.80564 4.91603 5.735075 5.8116 4.64042 4 5.36478 5.08578 5.79796 5.651355 5.29207 5.60225 4.99275 5.299705 645351 [Bis(aminomethyl)diethylsilane] 5.18467 5.76315 4.894115 5.77655 5.44648 5.18639 5.42788 5.5479 5.31627 5.04451 4.45375 4.43302 5.94129 5.20564 4.7816 4.74381 5.19464 4.97001 5.30498 5.26867 5.09883 5.37849 5.30066 5.27026 5.83329 5.57283 4.77938 4.70222 4.60561 5.24458 4.7133 4.8 6.29175 5.57791 5.97454 5.53833 5.083 5.26298 4.7563 5.35919 4.946925 5.78125 5.29533 5.08364 4.84078 4.815115 5.22255 5.238595 6.39477 5.66698 5.78431 5.31784 5.62372 5.4534 4.95913 4.74367 5.7799 5.70821 5.37949 5.17825 645353 [Bis(aminomethyl)cyclobutamethy 4.65132 4.835 4.39327 4.828555 4.74989 4.97489 4.71558 4.61804 4.97974 4.38658 4.20516 4 5.19133 4.29894 4.546475 4.16631 4.45378 4.5975 4.58311 4.4163 4.5 4.71965 4.59627 4.83768 5.34259 4.62593 4.108165 4.49463 4 4.6694 4.32474 4.58206 5.59685 4.81795 5.61359 5.4735 4.57596 4.42313 4.483965 4.70656 4.900135 5.356935 4.95063 4.4919 4.04321 4.48285 4.696605 5.12202 5.86732 4.86369 5.65406 5.28231 5.14349 5.08915 4.31343 4.48924 5.45452 5.16159 5.05324 5.30128 645354 [Bis(aminomethyl)cyclobutamethy 5.486585 5.78401 5.17406 5.83757 5.50565 5.38047 5.52889 5.6368 5.66205 5.14395 4.48198 4.68571 6.47575 5.17837 4.7208 4.7542 5.20964 5.40275 5.51959 5.26283 5.73504 5.28072 6.166265 5.42372 5.70365 5.482 4.82149 4.90148 4.67583 5.20434 5.37564 5.00069 6.70756 5.590495 6.084435 6.30458 5.42812 5.57074 5.78391 5.21178 4.64034 5.56049 5.45073 4.92321 4.78799 5.11998 5.16415 5.374735 6.93926 5.75181 5.78605 5.244995 5.077675 5.652905 4.677145 4.67391 5.04458 5.5652 5.30196 6.733605 645355 [Bis(aminomethyl)cyclopentameth 6.051245 5.59689 4.74581 5.73957 4.97913 4.6575 5.39909 5.22326 5.39372 4.63707 4.18072 5.360425 5.88281 5.09164 4.53745 4.87144 4.90496 4.89794 5.07097 5.02528 5.66915 4.80397 5.45261 4.80667 5.56909 5.30299 4.61437 4.60594 4.48449 6.034025 4.28698 5.436395 6.27778 5.459735 5.76628 5.825545 5.493545 5.25813 6.55423 5.01106 4.74953 5.50632 5.29219 4.58918 4.75503 4.81688 4.88689 5.471305 7.43149 5.71653 6.604465 4.845085 5.78546 5.89149 5.697355 5.92752 5.88308 5.61644 4.77885 5.873455 645356 [Bis(aminomethyl)cyclopentameth 6.131265 5.81721 5.4152 5.93947 5.69574 5.40265 5.60945 5.70869 5.67957 5.07073 4.33013 5.0108 6.42723 5.46467 4.69835 5.09804 5.38119 5.58142 5.52502 5.30107 5.73833 5.48219 6.505395 5.40782 6.03055 5.635 5.13441 5.07658 4.7548 5.39019 5.27209 5.56686 7.020935 5.74752 6.27937 6.37549 6.135855 5.48 6.87903 5.4084 4.87506 5.82365 5.42559 4.71418 5.11137 5.54442 5.368 5.203455 7.24659 5.69997 6.53831 5.71854 5.73796 6.462575 4.70847 4.541145 6.35855 6.028945 5.24308 5.66068 645568 645568 5.5065 5.21827 5.686435 5.7098 5.07779 5.30395 5.68605 5.66347 5.58628 5.29848 5.28908 5.14382 5.40473 5.70996 5.64773 4.76102 5.24021 5.23189 5.0861 5.41931 5.23108 5.46398 5.63509 5.42283 5.28084 5.47378 5.05641 5.24806 5.1135 5.29455 5.1643 5.13173 5.31557 5.32278 5.33625 4.85274 5.27926 5.22351 4.85566 5.305745 5.52358 5.30624 5.36426 4 5.36004 4.78597 5.25859 5.28204 5.34425 5.47125 4 5.19454 5.62011 5.20924 4.40668 4.94028 5.45312 5.44119 4.74742 4.89603 645616 645616 6.36787 6.56201 6.6003 6.66924 6.07917 6.34379 6.54555 6.5737 7.17319 6.04605 5.9537 6.21745 6.44801 6.34014 6.480745 6.193895 6.67161 6.39105 6.298115 6.56989 6.46142 6.52545 6.12916 6.46458 6.593335 6.485 6.567435 6.79145 5.61518 6.295 6.41035 6.48866 6.37163 6.65231 6.258235 6.892175 6.16884 6.15405 6.29167 6.48445 6.78027 6.42947 6.18509 6.09157 6.37121 5.691875 6.55764 4 6.559665 6.34102 6.4867 6.98731 6.60363 6.119815 6.30694 6.714575 7.45766 7.51434 4 5.199775 645618 645618 5.40742 5.70949 5.56662 5.568215 5.173875 5.47115 5.52961 5.55443 6.35145 5.28521 4 5.3927 5.45969 5.33939 5.302495 5.22215 5.65706 5.42043 5.27945 5.56269 5.58734 5.53348 5.13972 5.48122 5.68285 5.55721 5.45965 5.73809 4.8768 5.26849 5.262915 5.50921 5.47837 5.70576 5.25364 5.558255 5.2384 5.175565 5.3133 5.49892 5.63498 5.41881 5.17045 5.12237 5.33557 5.15352 5.65801 4 5.63785 5.18436 5.71071 5.99746 5.64039 5.49037 5.40176 5.820355 6.12016 6.04 4.95845 5.069825 645619 645619 5.36754 5.68033 5.586695 5.77986 5.24758 5.56224 5.60022 5.67428 6.36618 5.29549 4 5.20764 5.55174 5.251095 5.57414 5.296245 5.71781 5.41878 5.20198 5.72994 5.41922 5.704235 5.5959 5.54394 6.04261 6.04754 5.93322 5.77956 4.51654 5.43138 5.291835 5.326465 5.30792 6.039565 5.25598 6.17454 5.088455 5.25124 5.2266 5.575425 5.8708 5.39952 5.226565 5.09637 5.37768 4 5.5515 4 5.734 5.439365 5.43208 5.96588 5.776925 4.71539 5.15323 5.72998 6.69137 6.50517 NA 4 645621 645621 5.232635 5.52199 5.38418 5.52966 5.22059 5.08718 5.28898 5.46356 5.68 5.055835 4 4 5.369335 4.936455 4.83511 4 5.31454 5.210195 5.144105 5.444755 5.22512 5.41927 4.208585 5.301545 5.45581 5.38137 5.3859 5.65174 4.04529 4.01034 4.9311 5.0459 5.399615 5.44674 5.30147 5.36195 4.6175 4 4.597845 5.32794 5.53197 5.266415 5.06042 4.506275 5.16779 4 5.33983 4 5.52147 5.41745 5.40893 5.50741 5.32082 4 4.708915 5.54732 5.678295 5.76251 4.683585 4 645645 645645 9.57654 9.3522 9.65337 9.7201 8 9.54779 9.78837 9.68407 9.71077 9.1451 6 9.16377 9.67429 9.76849 9.69404 9.684715 9.65428 9.52574 9.15407 9.56611 9.72739 7.38508 8.10553 9.94792 10 9.68355 9.71602 9.80932 7.75525 9.66585 9.39187 9.31796 9.47995 9.89058 9.27796 9.99317 7.36455 9.30247 9.154295 NA 9.868445 9.26916 9.12573 8.14175 6 6 7.5061 6 9.67575 9.34099 9.599785 10 9.87517 9.3948 7.900775 9.898445 10 10 6 NA 645646 645646 9.34049 8.34091 8.957965 9.85294 9.150145 9.48822 9.52007 9.68491 9.62423 8.39869 6.83796 9.20156 9.57956 9.46059 9.30903 9.49282 8.0284 8.97217 9.36226 9.35172 9.63049 6.80172 7.894385 9.06561 9.56496 9.49268 9.245555 9.43915 7.34542 9.54519 8.8193 9.3301 9.67123 9.48099 9.57994 9.739 9.165745 9.23704 8.465 8.46771 9.364725 8.40401 9.12113 6 8.38942 7.171695 7.34954 6 9.47007 9.578615 8.97871 9.862525 9.760545 9.795175 9.39189 9.79164 9.93524 10 NA 8 645647 benzamide 4.575535 4 4 4.70335 5.26893 5.092495 5.606185 4.671895 5.642165 4.56986 4.10145 4.627785 4.359055 5.2319 4.73681 5.121295 5.57295 5.08089 5.391625 5.223365 5.696985 4.8847 4.51578 4.953275 5.132265 5.52313 5.39735 4.788005 5.264195 5.575075 4.62983 5.22658 6.05529 5.69024 6.25812 4.90889 5.451535 4.57615 4 4.5511 5.34766 5.547795 4.78815 4.633895 4 4.83907 5.09454 4.414975 5.848745 5.36465 4.42804 5.19258 4.50992 4.51386 4.11303 4.97949 4.308365 4.617995 4.83985 4.445605 645727 Carbamothioic 4.551835 4.03721 4.58527 4.68495 4 4.45642 4.03061 4.527335 4.58464 4.41148 4.71653 4 4.37363 4.46604 4.35467 4 4.7854 4.44759 4.36554 4.64082 4.60519 4.57814 4.3605 4.80548 4.14558 4.26564 4.29469 4.487835 4.61397 4.59172 4.54167 4.59935 4.805795 4.531915 4.8642 4.91507 4.6412 4.499955 4.33914 4.7179 4.87418 4.60445 4.4525 4.23162 4 4.540485 4.02725 4.24577 4.74788 4.68206 4.64007 4.5659 4.54128 4 4.718635 4.43575 4.212225 4.157875 4.256485 4.34746 645806 645806 8.47154 8.76935 8.278215 9.01576 8.17226 8.78525 8.70475 8.70495 8.83632 8.5813 8.44133 8.47907 9.33623 8.61514 8.63718 8.39388 8.24279 8.55341 8.50441 8.41048 8.24337 8.60895 8.62928 8.85112 9.18561 8.21905 8.302925 8.56461 8.65217 8.59606 8.56835 8.12967 8.19573 8.76173 8.54401 8.89596 7.67121 8.51743 8.30034 8.193885 8.916085 8.60368 8.49853 8.26354 7.70348 8.99019 9.11765 8.51262 8.05385 8.610235 8.68469 6.89164 8.6721 8.682965 8.57242 8.2882 8.850345 8.844645 8.51156 8.43475 645808 645808 6.38814 5.51124 5.47812 5.92031 5.41557 6.12197 5.71875 5.46441 6.38759 7.17257 5.38379 5.85607 7.05576 6.815315 5.65043 6.0575 6.39356 6.09905 5.94361 5.94645 6.291 5.68733 5.673255 6.54189 6.53198 6.32854 5.70989 5.37225 6.08969 6.19343 5.96723 5.88959 6.70822 6.20508 7.43403 7.583075 6.04633 6.32505 5.68012 6.70027 6.21045 6.25495 6.87371 5.57454 5.28351 6.322265 6.08074 5.46245 5.84086 6.134005 7.0804 5.52306 5.84772 6.50219 5.77566 5.92797 5.61753 5.5402 4.84675 4.99336 645809 645809 6.1814 5.53398 5.29599 6.52524 5.05303 6.70368 6.13993 5.91396 6.33874 7.43515 5.21564 5.86796 7.91812 6.852385 6.5625 5.68984 6.185695 6.40041 6.28672 6.64516 6.52971 6.04119 5.600415 6.57386 6.49745 6.50678 5.919035 5.51386 5.81608 6.24525 6.56553 6.10506 6.87136 5.57019 7.78681 8 6.28865 6.69407 5.81864 6.99867 6.749105 6.32454 7.23792 5.495245 4.97476 7.39796 6.09958 5.61377 6.65329 6.5736 6.82527 5.55183 5.82776 6.50246 5.78297 5.5074 5.43511 5.37822 4.91993 4.91254 645810 645810 6.16302 5.61824 5.20751 6.29477 5.26438 6.19885 5.81728 5.85142 6.59832 7.18 5.39086 5.67863 7.06857 6.269145 5.75293 5.98305 6.220725 6.98279 6.07439 6.18208 6.16557 5.96451 5.353665 6.3054 6.2289 5.72338 5.50338 5.44552 5.81031 5.9225 6.44517 6.493805 6.72762 5.96739 7.43606 7.723965 5.83283 6.2593 5.90905 6.76549 6.3581 6.08159 6.63933 5.753845 5.15321 6.31642 5.93616 5.5938 6.53521 5.80159 7.01609 4.90777 5.7375 6.19498 5.12736 6.26678 5.3118 5.34892 4.76276 4.92018 645812 645812 5.84538 4.97263 4.93838 5.216975 4.81531 5.22059 5.2123 4.7523 5.634835 5.23154 4.85507 5.8 6.35759 5.283125 5.12543 5.13216 5.14976 5.44821 5.63652 5.3836 5.26274 5.50302 5.834705 6.15564 5.70487 5.77948 5.749155 5.08158 5.85112 6.08703 5.47143 5.11315 5.50189 5.18896 6.29258 5.73311 5.82015 5.81117 4.91798 5.12238 5.65122 5.60287 5.83953 4.98436 4.79218 5.366335 5.65193 4.88683 5.04388 5.919445 4.24423 6.05253 5.41712 5.08166 NA 4.95264 5.28307 5.28555 4.78663 4.7002 645813 645813 5.89559 4.88224 4.77381 4.95086 4.880345 5.28078 5.12114 4.79629 6.00338 5.91447 4.89159 5.67893 5.80686 6.10608 5.28711 5.12281 5.20114 5.55682 5.98545 5.66764 5.4551 5.64988 5.35526 6.90816 5.89553 5.86765 5.86002 4.91968 5.89162 6.18517 5.18761 5.077435 5.58209 5.3468 6.36145 5.65897 5.52185 5.99471 4.9722 5.24454 6.43721 5.62067 6.17729 5.215285 4.83222 5.538 5.51611 4.89408 5.11878 5.88842 6.1457 6.07957 5.57551 5.33162 NA 4.97644 5.218 5.26971 4.75392 4.78766 645814 645814 5.69323 4.85167 4.83629 5.23942 4.75738 4.96516 4.94341 4.79288 5.515145 5.48425 4.82686 4.99269 6.08563 4.970075 4.83509 4.99389 5.126455 5.30226 5.29342 4.9314 4.96534 5.31054 5.04269 5.97883 5.56458 5.32045 5.18043 4.89639 5.16978 5.38948 5.27319 5.052465 5.46734 5.11423 6.46868 5.77091 5.52079 5.23465 4.8538 5.33581 5.783765 5.30431 5.48137 4.9556 4.77118 5.162885 5.43665 4.87106 5.17185 5.48382 4.85387 5.14576 5.18702 4.92649 5.11065 4.84136 4.99288 5.05978 4.85533 4.65163 645816 645816 5.33933 5.11003 5.01323 5.36179 4.92505 4.91318 4.8908 4 5.08915 5.34891 5.10773 5.32223 5.40566 5.64238 5.31371 5.15517 5.308725 5.21374 5.21976 5.25 5.48887 5.32982 4.58888 5.57952 5.52839 5.04244 5.2019 4 5.0372 5.3302 5.14557 4.424645 5.40631 5.28842 5.81242 5.300405 5.43276 5.10742 4.99962 5.35861 5.32115 5.42153 5.49963 4.9226 4.997955 5.47565 5.37766 4.92022 5.32091 5.34002 5.43484 5.14529 5.27928 5.11397 5.405 4.84962 4 4.14352 4 4 645817 645817 6.192665 5.40313 5.56337 5.74628 5.38406 5.65516 5.44624 5.25177 5.788835 6.22201 5.58439 6.00046 6.50464 6.08762 5.84234 5.54659 5.81987 6.01381 5.87742 5.93294 5.82687 6.2453 5.65142 6.47995 6.40447 6.20409 6.006445 5.69543 5.98677 6.21593 5.59533 5.746595 6.10972 6.21018 6.63358 6.209975 6.21382 6.07446 5.65234 5.68903 5.951955 6.14368 6.28896 5.64767 5.46878 6.39547 6.08387 5.6594 5.81624 5.97908 5.75895 6.16387 5.89405 5.76739 6.56217 5.41925 5.82563 5.67917 5.27921 4.94367 645818 645818 5.79573 5.35032 5.22793 5.5531 5.15205 5.251 5.27691 5.37295 5.603095 5.45178 5.38814 5.35242 5.60561 5.379175 5.44433 5.43782 5.52107 5.61068 5.34687 5.54431 5.30783 5.63153 5.06172 5.73312 6.03684 5.66531 5.342645 5.27335 5.51111 5.76283 5.39558 5.00497 5.05568 5.72998 6.19496 5.87661 5.79088 5.53911 5.55272 5.75991 5.500665 5.56733 5.70274 5.300865 5.28471 5.6869 6.0578 5.37171 5.44519 5.56573 5.30027 5.98437 5.55939 5.28206 4.95408 5.48206 5.33315 5.45256 4.79633 4.84339 645819 645819 6.23385 5.70904 5.77428 5.77202 5.73808 5.9239 5.8878 5.65042 5.87528 5.80151 5.6987 5.9803 6.42297 5.850335 5.69571 5.87359 7.122715 6.01561 5.87868 5.8918 5.7205 6.11051 5.86177 6.31767 6.31497 6.144325 5.96066 5.75283 5.96823 6.19515 5.65696 5.57447 6.33695 6.13772 6.3007 6.19283 5.89988 6.19667 5.841845 5.71172 5.74706 6.16681 6.16179 5.619375 5.75048 5.67546 5.98518 5.78869 5.7943 5.80285 5.55913 6.17725 5.93645 5.46345 5.83158 5.74903 5.94981 5.96017 5.74764 5.28826 645820 645820 5.79041 5.5592 5.4284 5.66255 5.30078 5.38299 5.47556 5.50285 5.579305 5.59162 5.45376 5.52745 5.648015 5.42978 5.67893 5.3526 5.593295 5.43294 5.50688 5.47613 5.29538 5.64357 5.29437 5.86752 5.8269 5.49336 5.41539 5.49392 5.51264 5.66842 5.36147 5.10404 5.59651 5.58707 5.76213 5.630235 5.90006 5.44126 5.58635 5.58862 5.258845 5.51142 5.91468 5.55885 5.46073 5.76027 5.91259 5.4007 5.55862 5.44756 5.36479 5.61963 5.61822 5.40797 5.43253 5.48177 5.46258 5.55231 4.88105 5.22166 645822 645822 5.92854 5.70806 5.47198 5.84674 5.45985 5.61614 5.76616 5.60262 5.739825 5.88284 5.69208 5.94562 6.16756 5.68061 5.7383 5.50449 5.849415 5.83386 5.68224 5.71079 5.41311 5.96251 5.64473 5.72412 6.16289 5.58721 5.779155 5.83432 5.79799 6.03044 5.57451 5.68161 5.97771 5.81597 6.40048 6.18822 5.82954 5.7675 5.7238 5.80747 5.728105 5.96726 6.08427 5.56268 5.47852 5.64003 6.05063 5.58196 5.76706 5.72844 5.48924 5.96463 5.88949 6.94853 5.5452 5.69313 5.87253 5.77088 5.69523 5.23541 645827 645827 5.823155 5.32979 4.90726 5.77473 4.97056 5.40471 5.24961 5.16732 5.472 6.38217 5.503535 5.93989 6.30298 5.56169 5.51325 5.14276 5.01916 5.6612 5.26898 5.68935 5.39001 5.36853 5.261 5.74878 6.12195 5.89108 5.635345 5.37108 5.73219 5.82147 5.47028 5.43478 5.99564 5.794425 6.61038 6.80849 5.2884 5.71863 5.431105 5.50525 5.77538 5.69793 5.55948 5.36089 5.013015 5.19987 5.36535 5.33243 5.72021 5.71013 5.61274 5.74253 5.8351 5.1998 6.56373 5.69186 5.39029 5.72991 4.81915 4.95284 645828 645828 5.91669 5.29358 4.89192 5.97474 4.95595 5.2843 5.14198 4.97667 5.18896 6.87076 5.156295 5.49447 7.50319 5.75519 5.50529 5.2824 5.47383 5.5302 5.21763 5.66771 5.91968 5.49838 5.81915 6.14938 6.35136 5.49106 5.99719 4.99013 5.59082 5.78807 5.3819 5.032 6.17617 5.79318 7.36742 7.222495 5.59523 5.49965 4.96971 6.17718 6.22004 5.84426 6.08166 5.35884 4.913825 5.47526 5.64922 5.10504 5.78522 5.77339 5.56765 5.83202 5.50972 4.84471 7.44186 4.97207 5.44806 5.38818 4.89712 4.73308 645830 645830 5.9338 4.96839 4.9097 5.31798 5.00333 5.31328 5.10441 4.96685 5.29409 6.33797 5.000945 5.40423 6.34375 5.48571 5.30875 5.24058 5.46455 5.53736 5.34016 5.31233 5.11392 5.53955 5.72403 5.95096 5.88702 5.30555 5.77458 5.06557 5.25178 5.8343 5.59077 5.25045 6.05025 5.29576 6.60857 6.71519 5.25265 5.41223 5.159845 5.81651 6.826085 5.57181 5.79637 5.34559 4.80056 5.60102 5.62586 4.99623 5.5787 5.55389 5.24393 5.34109 5.54605 5.30028 4.96987 5.85129 5.08515 5.1863 4.72489 4.67849 645832 645832 5.955715 5.62782 5.53343 5.80078 5.45809 5.57828 5.45578 5.68634 5.86267 5.88865 5.59067 5.82724 6.271185 5.87245 5.59754 5.42802 5.730615 5.64297 5.60486 5.73671 5.46968 5.932 5.7518 6.23693 6.22098 5.38099 5.9323 5.73599 5.84682 6.08965 5.69386 5.55972 5.90574 5.87259 6.43658 6.31164 5.64108 5.7567 5.76679 5.57336 6.1208 6.06425 6.09006 5.62249 5.47268 5.89128 6.15225 5.69067 5.61534 5.67982 5.59774 5.55208 5.71758 6.41619 5.63586 5.62558 5.81787 5.72101 5.436 5.3222 645834 645834 6.04593 5.2758 5.15063 5.58775 5.13451 5.34547 5.28993 5.32875 5.86995 5.70995 5.514765 5.66429 6.13251 5.68174 5.75317 5.2515 5.349 5.61069 5.39844 5.618 5.33106 6.06613 5.52928 6.25084 6.16146 5.90371 5.65466 5.15722 5.64602 6.11179 5.48618 5.42705 5.82451 5.79533 6.45689 6.32513 5.57377 5.48589 5.54216 5.55029 4.97927 5.64812 5.82847 5.4 5.333375 5.80552 5.89435 5.52107 5.47347 5.64309 5.48104 5.97642 5.95971 5.68341 5.97706 5.5943 5.68005 5.77877 4.97917 4.91549 645835 645835 6.22179 5.70726 5.52565 7.156595 5.51174 5.85936 5.80431 5.74118 6.02827 6.41994 5.931735 5.99508 6.638835 6.03456 6.30476 5.53274 5.522585 6.08308 6.12331 6.11399 5.91566 6.3065 6.11833 6.56682 6.57182 6.341395 6.15399 5.96362 6.04964 6.2858 5.9677 5.70305 6.2066 6.30863 6.60394 6.59716 5.91368 5.97871 5.59484 5.80713 5.77776 6.39092 6.29603 5.58953 5.60549 5.97235 6.37868 5.75677 5.79846 6.07468 5.675 6.36619 6.0973 6.18279 6.86995 5.75047 5.99864 6.10673 5.33636 5.58567 645838 645838 5.57071 5.69494 5.64187 5.53338 5.77216 5.7975 5.48537 5.78844 5.61106 5.38826 5.53815 5.48325 5.54988 5.91428 5.62446 5.66468 5.787125 5.6355 5.57941 5.74218 5.72052 5.55981 5.6082 5.64911 5.45136 5.67137 5.60441 5.54183 5.566555 5.47944 5.51673 5.47625 5.46668 5.49015 5.47668 5.44876 5.81438 5.47857 6.30194 5.48455 5.95163 5.54161 5.60634 5.52187 5.63378 5.36383 5.391 5.39743 5.64816 5.54482 5.7486 5.55449 5.87271 5.69358 5.59458 6.21027 5.82088 5.7995 5.931 NA 645976 645976 4.83531 4.84074 4.7176 4.71052 4.942065 4.73219 4.80082 4.77557 5.67339 4.40947 4.69479 4 4.64788 4 4.77107 4 4.68827 4.68083 4.77043 4.659925 4.67621 4.76195 4.780445 4.83522 5.36364 4.79664 4.75375 4.80624 4.7966 4.7803 4.72738 4 5.75255 5.60929 5.58227 5.71364 4.72299 4.72053 4.34722 4.868685 4.80993 4.83915 4.835255 4.78036 4.788635 4 5.400565 4.71281 5.72525 5.62346 5.1676 NA 4.76693 4.55512 4.76663 4.57796 NA 4.76567 4.79507 4.82658 645979 645979 4.9283 4.79147 4.714155 4.61758 4.885095 4.7483 4.78721 4.76879 5.6233 4.43524 4.83261 4 4.62534 4 4.78682 4 4.600815 4.70595 4.77513 4.70366 4.650155 4.7494 4.70504 4.78854 5.36649 4.81547 4.75688 4.79867 4.70791 4.78447 4.70271 4 5.94086 5.512145 5.67575 6.07727 4.69069 4.74091 4.21009 4.744575 4.8001 4.86444 4.802215 4.83876 4.77236 4.08587 5.22274 4.74322 5.7644 5.47465 4.94965 NA 4.79289 4.51563 4.75798 4.39209 NA 4.82981 4.74463 4.79791 645984 bis(2-Nitrophenyl)sulfilimine 5.76697 5.6608 5.592 5.78785 5.39458 5.7393 5.57868 5.44024 6.39293 5.55868 5.51535 4.92448 5.49044 5.5984 5.722835 4.9679 5.10013 4.91817 5.28557 5.61526 5.6736 5.59998 5.59512 5.68686 5.72707 5.78313 5.60396 5.77247 5.8174 5.70123 5.74316 4.7931 5.59843 5.631485 5.72566 6.47493 5.75067 5.74725 4.553405 5.68547 5.61538 5.67894 5.78147 5.68542 5.6598 5.56144 5.73704 5.64123 5.68592 5.57495 6.8899 NA 5.83743 5.57874 5.75174 5.32996 NA 5.86674 5.79002 6.50655 645991 645991 5.996385 5.729635 5.47388 5.71708 5.887275 5.58645 5.66867 5.73793 5.81716 4.80245 4.82827 4.76875 4.839305 4.810075 5.58314 4.68158 4.73015 4.93903 5.60403 4.83562 5.5607 5.79923 4.85242 5.79233 5.82877 5.686235 5.44803 5.57388 5.15129 5.62641 5.02459 4.60752 5.85827 5.59909 5.65604 5.70869 4.95289 5.63296 5.354955 5.36182 5.683645 5.73012 5.62706 5.48467 5.804875 5.18068 5.09848 4.90739 5.83356 5.94308 5.96366 NA 5.54237 4.91828 5.50943 4.84168 NA 5.40659 5.48598 5.50153 646159 646159 5.732525 5.17482 5.295395 5.981485 5.403285 5.758205 5.417325 5.793635 7.090755 5.42418 4.73128 5.138355 5.589535 5.021835 4.94243 4.5673 5.34174 5.51539 5.219115 5.476315 5.29732 6.495095 5.15348 6.021435 6.09128 5.43929 5.24914 5.628035 5.68774 5.772045 5.32682 4.96967 6.983135 6.51939 6.494905 6.66121 5.44857 5.361095 4.694 5.37162 5.52537 5.70598 5.377745 4 4.8674 4.63421 6.678785 4.13314 6.540105 6.6503 5.958475 6.12698 5.49091 4.385065 5.030265 4.69517 5.47096 5.1579 4 4.783635 646160 646160 5.65031 4.65632 5.58082 5.33459 4.63662 5.42011 5.19393 5.49619 6.41541 5.38111 5.141415 5.05104 5.71473 5.42903 4.29478 4.67661 4.722295 5.40234 5.51434 5.25876 5.26101 5.65514 5.0874 5.46177 5.3008 5.42102 5.12751 5.63853 5.35657 5.39799 5.08543 4.7879 6.64853 5.48544 5.94757 6.31792 5.42836 5.15177 4.59665 NA 4.76188 5.41465 5.43512 4.66207 5.35684 4.73431 5.77976 4.83648 6.26479 5.5965 5.48366 NA 5.51768 5.13199 4.66979 4 NA 5.16659 4.40703 5.229 646161 646161 4.86724 4.32078 4.556475 5.13187 4.2775 4.54206 4.25257 4.56882 6.37097 4.580025 4.45649 4.56662 4.93964 4.33495 4 4.12835 4.21042 4.67529 4.3564 4.48738 4.49567 6.17006 4.17434 5.755275 5.349445 4.798525 4.62042 5.98148 4.44714 4.47233 4.5726 4.0969 6.41747 6.37478 6.2149 6.30537 4.607 4.3282 4.08344 4.08595 4.1836 4.69677 4.455925 4 4.36654 4.324855 6.70547 4 6.17329 6.55767 5.43052 4.767345 4.69129 4.42862 4.22468 4 4.805935 4.31382 4 4.33626 646200 646200 5.3172 5.15 5.198035 5.62907 5.32609 5.4602 5.78717 5.6218 5.72317 5.3804 5.20034 5.48865 5.44954 5.50524 4.65255 5.42591 5.4616 5.5742 5.13118 5.60956 5.76069 5.60998 5.56236 5.45897 5.60238 5.83625 5.52816 5.56316 4.256085 5.31803 5.48224 5.6846 5.69875 5.713725 5.59976 6.22699 5.12222 5.08303 5.663 5.561225 5.79379 5.52392 5.00067 5.08381 5.07893 5.60473 5.51399 5.2296 6.379165 5.29442 NA NA 5.48493 5.40264 5.03624 5.49789 NA 6.45448 NA 5.04301 646278 Pyrido[3' 5.65767 5.380955 5.22769 5.65141 4.99163 5.35885 5.02774 5.57278 5.6237 5.84564 5.38705 5.45968 6.0667 5.54676 5.085195 5.52395 5.41981 5.55646 5.21991 5.52086 5.25818 5.37826 5.23797 5.44591 5.838155 5.721715 5.23417 5.02875 5.10387 5.42878 5.30379 5.46049 5.65963 5.383215 6.08152 6.4883 5.79852 5.52856 5.36615 5.695555 4.93779 5.44974 5.73758 4.93595 5.415165 6.164535 5.30548 5.46045 5.69304 5.62211 6.38705 NA 5.73107 5.70559 5.4471 5.62235 NA 5.57302 5.6035 5.69028 646504 646504 5.18707 5.62481 5.66295 5.54241 5.283885 5.40187 5.340465 5.69618 5.66509 5.25815 4.74405 4.89674 5.38133 5.16707 4.78501 5.238945 5.329645 5.47278 5.19271 5.47086 5.63054 5.47426 5.24252 5.40446 5.48797 5.713375 5.32802 5.56748 4.94386 5.1517 5.26336 5.59308 5.79722 5.5927 5.40946 6.2624 5.24236 5.16034 5.284165 5.1554 5.65312 5.49432 5.01978 4.95226 5.34975 4.711425 5.48022 4 5.68595 5.51921 5.60517 NA 5.5438 5.47476 4.62621 5.6077 NA 6.56247 4 5.19194 646714 2 6.94641 6.689385 6.588755 6.81571 6.42419 7.36284 6.84346 7.24696 6.985715 6.94639 6.223805 6.33433 8 6.952085 6.769095 6.588995 6.47239 6.888825 6.9325 6.818835 6.906935 6.756485 6.81053 6.67975 6.82946 6.683455 6.624575 6.604975 6.53896 6.718825 6.6292 6.39353 7.38069 6.59642 7.11115 7.2447 7.023905 7.045935 6.69995 6.99024 6.801615 7.11341 7.503535 6.51748 6.44063 6.600325 6.6662 6.58437 7.7936 6.61102 7.67279 7.65538 6.54887 7.32947 5.39694 6.030405 6.54136 7.00085 6.380235 6.68172 646923 646923 5.25287 5.34329 5.64361 5.80918 5.37719 5.12936 5.33333 5.53323 5.71756 5.22304 4.20188 4.65437 5.52951 5.19573 5.74162 4.91042 5.6447 5.91932 5.325395 5.77903 5.47862 5.49313 5.53116 5.36766 5.51534 5.90628 5.56156 5.64786 4 4.95 5.06417 5.41797 5.68493 5.953075 5.55421 5.896765 4.30072 4.87658 5.07253 5.52086 5.47251 5.38357 4.08225 4.46292 5.10933 4.36472 5.49143 4 6.07909 5.5297 6.10897 NA 5.38065 5.54272 4 5.70269 NA 6.58088 4 5.17437 646946 Rhodium 6.99227 6.68019 6.7262 7.15857 6.885815 6.51689 6.54148 6.924835 6.85367 6.489435 5.81194 6.44864 6.7588 NA 6.67842 6.70688 7.71461 7.52155 7.121615 6.41574 7.13993 6.987705 6.64474 6.980005 6.61439 4.75976 6.67472 6.72013 6.452175 6.40412 6.8664 6.48789 6.85674 8 6.44186 6.4461 4 6.845815 5.89518 6.23202 6.80656 6.457955 5.5726 5.57935 6.9184 6.26206 6.88218 6.33055 7.560365 7.79602 6.61113 4 6.91144 6.30308 6.91033 6.14533 7.44335 6.94373 6.34277 6.78022 647062 Tris(N 4.60947 4.6792 4.69105 4.92087 4.531765 4.61973 4.22081 4.59914 7.044475 4.39687 4.195265 4.028835 6.308935 4.306105 5.53024 4.245925 4.3668 7.09726 4.450895 4.41005 4.277405 6.65595 4.487835 4.50445 4 4.498245 4.44732 4.473825 4.76914 4.72224 4.62105 4.63972 6.23815 6.84488 4.60118 4.61544 4.460175 4.34733 4 4.08826 4.68829 4.517575 4.61186 4 4.013725 4.32751 5.394545 4 4.5893 4.52768 5.66972 5.83551 4.482385 4.313345 4.41933 4.936265 4.43813 4.622205 4.416485 4.34471 647131 647131 6.07485 5.87304 5.81757 5.98615 5.988825 5.824245 5.92575 5.7875 6.07625 5.81153 6.16933 6.01703 5.944515 5.88106 5.82036 5.878195 6.19206 6.41546 6.39749 5.80901 5.84176 5.823535 5.88527 5.956345 5.947795 5.981865 5.9765 6.065545 6.33962 6.077405 6.005835 5.84759 6.621025 6.925745 6.77833 6.49158 6.230065 5.90692 5.82506 5.84491 6.08333 5.9699 6.11081 5.940855 5.82245 6.009095 6.481875 5.78852 7.07677 7.026625 5.814085 5.86337 6.5755 5.893605 5.93828 5.964025 6.15027 5.879975 5.77455 6.57066 647247 647247 5.228745 5.45531 5.50735 5.5864 5.13616 5.53055 5.50145 5.57408 5.69096 5.35251 5.212735 5.33621 5.47173 5.286945 5.23971 5.240955 5.71622 5.56974 5.29528 5.66685 5.65022 5.5562 5.43052 5.457545 5.48698 5.56023 5.73927 5.67586 4.95238 5.38739 5.36284 5.60013 5.48664 5.54287 4.77712 6.27668 5.21927 5.26708 5.516015 5.36461 5.80966 5.36869 5.06121 5.240575 4.89681 5.45561 5.58381 5.23621 5.43058 5.48822 5.42834 5.66352 5.65004 5.40346 5.369245 5.681345 6.57822 6.38704 5.220785 4 647322 647322 5.79575 6.27514 6.49559 6.099405 6.01549 5.95631 6.091905 6.03955 6.26822 5.40063 4.85619 5.96487 5.815325 5.83515 6.37103 5.13645 6.60568 6.49916 6.322535 5.79454 6.14558 5.655835 6.63169 6.05358 5.983145 6.42423 6.115475 5.995735 5.160185 5.67207 5.40817 6.000455 6.011255 6.50247 5.853445 6.8954 5.46805 5.61889 6.57127 NA 6.9076 5.881455 5.470155 5.04952 5.81217 6.04718 5.935185 4 6.27263 5.90171 5.45426 NA 5.32093 4.80529 4.64527 5.36654 NA 5.55941 4.58698 5.32471 647325 647325 4.393175 4.97945 4.66094 4.90888 4.578865 4.5463 4.609645 4.71491 4.8187 4.352675 4.53349 4.522305 4.648925 4.65559 4.67351 4.21317 4.85696 4.56206 4.858725 4.534315 4.751555 4.50255 4.349795 4.486645 4.568655 4.72921 5.06426 4.56551 4 4.41713 4.390895 4.65504 4.383035 4.885 4.372065 5.281485 4.428005 4.439785 4.8208 NA 4.70243 4.584085 4.420455 4.41121 4.3138 4.60664 4.812225 4 5.374975 4.705075 4.43434 NA 4.51967 4.10048 4.06761 4.61001 NA 5.38565 4.38907 4.37604 647751 647751 5.944495 4.97801 4.99185 4.83148 4.93151 5.72951 4.98633 5.06609 6.22888 5.72673 4.94513 5.6597 6.13729 5.33962 5.53868 5.26454 6.05476 5.44794 5.89831 5.32143 4.91706 5.93012 5.13768 6.14725 5.95751 5.38794 5.45455 5.10486 5.39738 5.61927 5.78078 5.178235 5.86033 5.57819 6.49937 6.4674 5.19059 5.2944 4.89993 5.18468 5.4097 5.83434 5.49451 5.22811 4.81099 4.95275 5.34725 5.10241 5.81424 5.721605 6.06377 4.89947 5.83307 5.26256 NA 5.15035 5.00505 5.12284 4.91575 4.81246 647758 647758 5.51981 4.74844 4.79226 4.78694 4.793475 4.763 5.023405 4.76168 5.57727 4.8063 4.77567 4.75468 5.3105 4.83015 4.83472 4.8689 4.96334 5.550055 5.147465 5.31121 5.28849 5.672645 5.13994 5.579065 5.633445 5.273635 5.66564 4.821535 4.84473 4.87238 5.18631 4.82779 5.638775 5.719715 5.6749 5.560215 4.93277 4.94777 4.7255 4.75991 4.87034 5.32222 4.9221 4.84433 4.735655 4.791495 5.72915 4.779365 5.64092 5.515035 5.322875 4.883595 4.97134 4.866925 5.47998 5.077025 4.862575 5.25216 5.464 4.82623 647889 N-(17.beta.-Dimethylamino-3.bet 5.779655 5.72745 5.74173 5.8441 5.80296 5.74183 5.75517 5.71613 5.70192 5.76602 5.705995 5.77179 6.00077 5.78771 5.813995 5.748195 5.76869 6.15552 5.78122 6.120925 5.77532 6.37452 5.77222 5.84056 6.42401 6.16325 5.77254 5.78174 5.76123 6.39007 5.7313 5.76922 6.537815 6.36878 6.24687 5.82093 5.77933 5.82305 5.752955 5.788485 5.78805 6.36877 5.744045 5.69018 5.727545 5.672155 5.7849 5.76242 6.69183 5.98647 6.15269 5.75095 6.293185 5.64276 6.42397 5.65856 6.29199 6.45628 5.74766 5.75495 647939 647939 4.84665 4.83795 5.34537 4.96783 4.95429 4.80643 5.39563 4.78237 4.79022 4.77042 4.788505 4.897355 5.01987 4.78392 5.243205 4.78525 4.86465 4.88653 4.81382 4.80646 4.77897 5.27242 5.69058 4.897505 5.07379 4.83978 4.82174 4.78977 4.78012 4.86843 4.8325 4.724415 4.90221 5.42604 4.94352 5.25779 4.95878 4.82109 5.095545 4.73548 4.92863 4.80654 4.80243 4.88927 4.81521 4.81155 5.7271 4.7155 5.31641 5.46424 5.17424 4.76364 4.78845 4.80906 NA 4.69612 4.83208 4.77828 4.68955 4.76674 647940 647940 4 4.373 4.353165 4.37622 4.33815 4.387345 4.376395 4.36716 4.68961 4 4.66652 4 4.34028 4.33867 4.84202 4.33879 4.35349 4.34829 4.317925 4.357825 4.35186 4.35661 4.19678 4.445305 4.46518 4.374495 4.64593 4.323055 4.33052 4.31402 4.36097 4 4.70655 5.20028 4.57557 4.62897 4.359725 4.495405 4.40711 4.69321 4.269355 4.357785 4.382645 4.36499 4.333885 4.63152 4.38273 4.69513 5.02692 4.72768 4.724835 4.57202 4.79211 4.758035 4.77693 4.53819 4.73113 4.77515 4.77551 4.65711 648147 648147 4.77332 4.47917 4.66578 4.53436 4.68728 4.97223 4.57536 4.71942 4.85652 4.36068 4.122195 4.68797 4.469805 4.34549 4.888065 4.23394 4.42172 4.71522 4.59218 4.56309 4.624235 4.54388 4.52587 4.76876 5.12678 4.86266 4.63979 4.911225 4.88943 4.76445 4.49989 4.2032 6.31737 5.47672 5.5296 6.053325 4.78352 4.566475 4.31815 4.63412 4.81468 5.39006 4.671385 4.617415 4.76542 4.39474 4.53646 4.35958 5.91783 5.55643 4.9629 4.446 4.77129 4.22952 4.58997 4.60533 4.54147 4.61023 4.85132 4.88637 648148 648148 4.75776 4.6435 4.74295 4.74515 4.66616 4.905025 4.62521 4.79536 4.79152 4.51341 4.84072 4.667405 4.76644 4.70775 4.91934 4.51566 4.56366 4.7625 4.7693 4.66083 4.664975 5.024805 4.69945 4.70179 5.02017 5.029965 4.80627 4.85759 5.08836 4.67533 4.81536 4.72665 5.58546 5.4398 5.05155 5.32987 4.72016 4.741745 4.73779 4.84498 5.17763 5.2932 4.679345 4.781575 4.63957 4.672945 4.74557 4.67637 5.34127 5.71515 5.36703 4.47024 5.00359 4.66447 4.81383 4.65085 4.7239 4.89052 4.85733 5.47012 648150 648150 4.72984 4.71722 4.64893 4.54821 4.70349 4.798 4.67634 4.72569 4.757285 4.22138 4.40132 4.70814 4.687115 4.4291 4.838065 4.43888 4.55958 4.725275 4.58326 4.65869 4.563845 4.65262 4.39954 4.68461 5.0576 4.81772 4.70029 4.82273 4.76567 4.51757 4.64753 4 5.66212 5.45513 5.41962 5.48044 4.72836 4.66328 4.64805 4.73656 4.800975 5.18739 4.703745 4.766345 4.63257 4.817795 4.75718 4.72169 5.47316 5.59802 4.90985 4.38365 4.73573 4.08207 4.63412 4.53943 4.81972 4.71182 4.90719 5.02021 648322 Incarnal 5.28921 5.74936 4.749915 5.30298 5.56515 5.20109 5.640895 4.81556 5.79385 4.70445 4.792805 4.713845 4.72392 4.70312 5.798085 4.76861 4.75153 4.74563 5.5117 4.77614 4.365045 5.61664 4.705635 5.51469 5.93844 5.6479 4.78959 5.83601 5.6615 5.30223 4.73158 4.73057 6.57375 6.16528 6.35333 6.344775 4.97096 5.027225 4.841195 5.740825 5.830845 5.77274 5.65227 5.735245 5.66723 4.654585 5.822805 5.01967 6.44262 5.63557 NA 4.54041 5.50259 4.72466 5.62752 5.08547 4.90574 5.42497 5.8118 5.66708 648543 N-(3 6.4248 6.41866 6.31649 6.545985 6.33914 6.12116 6.53375 6.51258 6.46431 6.22279 5.72666 5.79167 6.41932 6.33877 6.393425 6.2354 6.60672 6.34101 6.10326 6.58934 6.62297 6.51237 6.42568 6.41201 6.68335 6.72474 6.60725 6.61272 4.51033 6.23613 6.15277 6.34145 6.33454 6.92868 6.27783 6.646785 5.62859 6.18928 6.20475 5.983545 6.44302 6.28622 6.11529 6.07243 6.37149 6.09049 6.49652 4 6.58876 6.42661 6.30866 6.32751 6.04291 6.27357 6.24078 6.1927 7.20609 7.24652 5.721635 5.22158 648556 648556 4.9658 5.42434 5.43935 5.19591 4.93834 5.15752 5.23208 5.31342 5.59806 5.31985 4.81693 4.70833 5.18252 5.13981 5.49986 4.65418 5.26108 5.33106 4.89646 5.34649 4.98254 5.47748 5.10617 5.26402 5.391915 5.31302 5.38717 5.40038 4.7494 4.67875 5.12067 5.43062 5.32666 5.47245 5.35684 5.45357 5.01682 4.69466 5.26136 4.91734 5.44931 4.91828 4.65515 4.85264 4.91542 4.81563 5.403185 4.38881 5.40411 5.17412 5.41891 NA 4.9497 4.69262 4.30795 4.8125 NA 5.5136 5.04972 5.30375 648581 648581 7.16477 7.51222 6.77475 7.7732 8 6.97102 7.594405 6.67153 6.920695 7.13482 4.221155 7.57562 7.1566 6.904835 7.01803 7.45269 8 7.15297 6.99434 6.57607 7.47 4.82844 5.57394 7.17845 8 7.786325 7.77934 7.5098 4.37223 7.20968 5.85801 6.43774 7.76044 7.79883 7.67939 8 5.37345 6.60258 4.588445 4.6065 6.55281 6.744205 6.676435 4 5.40232 4.339245 4.395675 4.124525 7.718975 8 7.61219 8 7.767955 7.637445 7.91406 7.864125 8 8 8 4.268915 649666 649666 4.94992 4.7569 4.75461 4.83441 4.78282 4.77999 4.77675 4.8807 4.83445 4.69077 4.7449 4.72622 4.71527 4.66565 4.76833 4.75682 4.77993 4.73611 4.8719 4.68709 4.7436 4.6582 4.649585 4.80876 4.8701 4.70888 4.75505 4.90325 5.547915 4.77417 4.70275 4.67376 5.63226 5.60814 5.68606 5.60542 4.80669 5.48765 4.62662 4.761305 4.81955 4.97344 4.892 4.72395 4.86123 4.73035 4.7258 4.71765 5.550035 5.50634 4.74682 4.7698 4.692755 4.771145 5.100425 4.637285 5.74404 5.59727 4.81903 4.542755 649890 Flavopiridol 7.63113 6.85036 6.99184 7.545575 7.18346 7.41307 7.21513 7.526 7.062945 7.03446 6.81932 7.162285 7.39993 7.38541 7.49103 7.27009 7.42037 7.330945 7.33924 6.97931 7.42374 6.75098 6.888215 7.59671 7.40692 7.304175 7.44762 7.44608 7.29472 7.407665 7.4533 6.383475 7.41613 6.612915 7.426425 7.47154 7.493435 7.17075 7.217315 7.59299 7.73789 7.311165 7.54666 7.205845 7.046885 7.56224 7.429885 7.14777 7.65219 7.36368 7.46098 6.76803 7.43406 7.24157 7.20083 7.62941 7.42667 7.04704 7.609775 7.150555 649900 649900 6.72976 5.92122 6.06636 5.93193 5.70576 5.93775 5.91024 5.88832 6.37127 5.83549 5.493135 5.83641 6.33243 5.7003 5.94135 5.73951 5.62495 5.94201 5.75228 5.88291 6.17554 6.30858 5.73754 6.54861 6.88631 6.23397 5.95389 5.870155 5.82773 5.85504 5.78229 5.310105 7.32843 6.51259 6.67048 6.95058 5.8754 6.373645 5.86186 6.2237 6.10387 6.29788 6.14073 5.85053 5.85437 5.85534 6.05875 5.79506 7.11861 6.97916 6.18479 NA 5.98957 5.77122 5.8801 NA 6.09906 6.08348 5.6559 5.85925 649904 649904 5.79537 5.6673 4.91966 4.80791 5.50327 5.365615 5.48239 5.3015 6.09281 4.72051 4.71723 4.78195 4.72867 4.80492 5.73807 4.77101 4.81036 5.55052 5.0391 4.789405 4.90889 5.38694 4.97618 5.8108 5.7786 5.56413 5.79822 5.27426 4.931135 5.3291 4.84961 4.765615 6.09146 5.93409 5.67547 5.7799 5.63966 5.55782 4.84966 5.71561 5.82 5.74964 5.62691 5.46893 5.33999 5.09546 5.58252 4.82433 5.70989 6.61616 5.81615 NA 4.88005 4.77054 5.42285 NA 4.97038 4.9696 5.44802 5.28468 649910 649910 5.82959 5.16164 5.26043 5.24206 5.44014 5.65116 5.50531 5.44891 5.579385 4.84896 4.75197 4.86635 5.17397 4.8673 5.47103 5.04368 5.20722 5.69152 5.35764 5.12629 5.77237 5.46156 5.20566 5.81773 5.74273 5.64745 5.69871 5.06798 5.42859 5.61136 5.48907 4.762165 5.78956 5.60438 5.66291 5.61989 5.33796 5.45361 4.92137 5.67424 5.63635 5.82363 5.39257 5.61123 5.53147 5.32001 5.44475 4.72926 5.7268 6.5189 5.98721 NA 5.74835 5.33275 5.52936 5.71258 5.62778 5.57795 5.681 NA 650396 Tyloindicine 8.79858 8.41483 8.52073 8.54943 8.38522 8.43242 8.49156 8.393235 8.49328 8.39512 8.21676 8.37596 8.51958 8.186535 8.420015 8.510125 8.58387 8.35137 8.21132 8.351255 8.32658 8.32162 8.38567 8.72428 8.49613 8.41904 8.45 8.210945 8.54775 8.40528 8.13835 8.249035 8.51814 8.592 8.46168 8.46093 7.966605 8.37426 8.30131 8.41767 8.29795 8.43057 8.51221 8.14019 8.15885 8.41373 7.94658 8.27854 8.44566 8.356 8.30061 NA 7.90477 8.39977 8.20007 8.26767 8.54701 8.47325 7.68374 8.431 650599 1 4.966565 4 4.300705 4.37461 4 4.295125 4.24738 4.64575 4.87238 4.30721 4.30313 4 4.309045 4.65452 4.93369 4.51729 4.34187 4.963455 4.772685 4.38332 5.10587 4.192065 4.33207 5.2908 4.88874 4.640595 4.375325 5.125885 4.35805 4.97413 5.04807 4.48719 6.07909 5.41853 5.413605 5.41245 4.57662 4.29555 4 4.72949 4.61961 4.750265 4.41487 4 4 4.36483 4.289505 4.205915 5.57221 5.22893 4.245 4.37473 4.34538 4 4.31676 4.272485 4.52248 4.3608 4 4 650717 Stipiamide 6.998185 5.18072 4.87983 6.29348 4.91507 8 4.91999 4.99776 5.55736 5.37953 5.325255 4.82229 5.29924 4.90291 5.40065 4.83097 4.92752 4.92366 4.89682 7.82059 4.85071 4.93489 4.93471 7.22068 4.87559 4.89268 4.97434 5.72555 4.90525 5.15468 4.931875 4.85123 5.21756 6.438965 5.11825 5.944515 5.42729 4.89355 4.901315 4.84697 4.86733 4.8338 5.90737 4.855315 7.46115 4.93464 4.862005 4.96069 5.29862 5.38295 5.73495 4.80728 5.09988 4.85996 4.83655 4.71412 4.8931 4.91201 4.81664 5.44178 650718 Roseophilin 6.75095 5.88655 6.42353 6.54378 5.85011 6.13176 6.40129 5.88639 6.38041 5.94507 5.90177 5.99983 6.47521 6.110795 5.77256 5.76862 5.82477 5.97964 5.95799 5.939435 6.07287 6.59826 6.467075 6.52894 6.37892 6.04395 6.46998 6.215305 5.94347 6.26098 5.90013 5.79467 6.63984 6.50045 6.26453 6.53453 5.95846 5.93665 5.60833 5.698495 6.044395 6.28599 5.99542 5.61532 5.76724 6.01975 6.30525 6.24347 6.67341 6.44506 6.22044 NA 6.47904 6.21217 6.55519 6.59652 6.39669 6.33154 5.95968 6.56635 650744 650744 5.397885 4.77259 4.70588 4.8391 4.85085 4.76658 4.83071 4.89279 4.75037 4.67605 4.55992 5.2742 4.83827 4.96226 4.75471 4.73237 4.7179 4.76145 5.42551 4.82775 4.74543 4.54021 4.84261 4.91877 4.584 4.69916 5.44529 4.77828 5.08138 4.69542 4.81837 4.74571 5.70868 5.43373 5.6363 5.61609 4.66006 4.580265 4.37222 5.3545 4.84521 4.60664 4.70959 4.61476 4.66766 4.69598 4.74545 4.77825 5.53041 4.98722 5.27397 5.14538 4.75898 NA 4.95129 5.40022 5.24117 5.69945 5.61637 4.70502 650748 650748 4.79039 4.72183 4.694555 4.77326 4.83595 4.74493 4.73715 4.7895 4.85942 4.70674 4.71967 4.88025 4.75971 4.75816 4.77516 4.74323 4.612975 4.78049 4.72296 4.73145 4.68271 4.76361 4.44322 4.8003 4.87678 4.83142 4.74475 4.70521 4.766315 4.69554 4.7577 4.74244 5.44606 5.2186 5.54163 5.55852 4.73602 4.6974 4.73719 NA 4.85387 4.77475 4.76568 4.802985 4.74523 4.66475 4.7187 4.73578 5.63568 5.35771 5.47151 4.53263 4.85207 4.80658 4.95607 4.74763 4.76539 5.13777 5.36514 5.44331 650765 4-Ethyl-N-(3 6.2406 6.598265 6.72441 6.614835 6.41709 6.19595 6.638035 6.60239 6.67369 6.195945 5.211725 5.91304 6.43268 6.26804 6.021145 6.298715 6.52171 6.423035 6.08323 6.694745 6.5493 6.50701 5.97626 7.19165 6.962065 6.838935 7.44892 6.670565 4.768305 6.1565 6.06899 6.518625 6.48369 7.058295 6.406405 7.550315 6.151385 6.14674 6.43626 6.15036 6.66767 6.42532 5.794025 4.60906 NA 5.75 6.50468 5.769025 7.252455 6.35944 6.95544 7.21445 6.51579 6.14499 5.89756 6.583715 7.816945 7.240955 8 6.52043 650766 4-Ethyl-N-(3 6.26599 6.46771 6.47053 6.747035 6.62294 6.18691 6.38517 6.88002 6.56147 6.424845 5.113345 5.51724 6.73296 5.80183 5.545115 6.12292 6.05465 6.4018 6.17336 6.6956 6.51207 6.48086 8 6.645595 7.34936 6.94503 7.39935 6.718265 4.69504 5.64964 6.19144 6.484355 6.544125 7.06073 6.569745 7.286465 5.52099 5.935575 5.84962 4 6.67814 6.113305 5.38071 4.97043 4.76526 5.52309 6.62661 5.5905 7.165735 6.419895 8 7.380545 6.73001 6.39918 6.91915 NA 7.882025 8 8 NA 650769 4-Ethoxy-N-(3 6.17234 6.27761 6.39323 6.29263 6.30513 5.99621 6.394925 6.342225 6.5383 6.1707 4.19448 5.34114 6.36845 6.00861 5.101835 5.8641 5.9413 6.268085 5.751275 6.419785 6.31985 6.43854 6.112505 6.364295 6.45428 6.4397 6.63256 6.461695 4.30397 5.459955 6.113455 6.145355 6.106255 6.591515 6.24254 6.59097 5.448705 6.04302 5.853805 5.69744 5.96009 6.16745 4.88838 4.91429 4.82766 5.19445 6.43989 5.3997 6.5324 6.171255 6.36157 6.490025 5.823355 5.59005 5.60236 5.86065 6.979055 6.82961 6.91868 5.78119 650770 4-Ethoxy-N-(3 6.03539 4 6.46397 6.261455 5.681615 5.761935 6.29451 6.28325 6.448 5.910555 4.82108 5.35352 6.290555 6.19541 5.324725 5.4566 5.74812 6.271045 5.52329 6.37064 6.2949 6.38531 6.04646 6.282765 6.4951 6.51865 6.6513 6.42792 4.45425 5.62416 5.894285 5.93354 5.762055 6.425505 6.22006 6.540935 5.059245 5.10444 5.63515 5.37744 5.71772 5.898655 5.25138 4 4.696855 5.3954 6.27351 5.38635 6.34431 5.869175 6.342155 6.44498 5.70746 5.50221 5.80332 5.956055 6.918135 6.90839 6.903445 5.34888 650771 4-Methylthio-N-(3 5.15062 4.944585 5.45512 4.864175 4.600815 4.80704 5.279275 4.977915 5.32317 4.94988 4.362675 4.49818 5.28267 4.9691 4.77144 4.59427 4.813195 4.95119 4.684665 5.08718 5.00329 5.34128 4.957225 5.18687 5.396845 5.38877 5.39881 5.17306 4.3065 4.577905 4.75405 4.829335 5.001995 5.467445 5.310155 5.380075 4.67949 4.718 4.725725 4.69879 4.94993 4.85649 4.615025 4.42788 4.56195 4.54822 5.33004 4.549685 5.409455 4.84819 5.24518 5.42311 4.907085 4.60547 4.823315 4.906025 5.77749 5.475265 5.49654 4.60659 650772 4-Methylthio-N-(3 5.27166 5.142695 5.50973 5.340385 5.274875 5.264225 5.317175 5.360235 5.54556 5.127605 4.56038 4.629545 5.403585 5.276595 5.17809 4.9909 5.316775 5.41399 5.116635 5.422275 5.5252 5.46308 5.30813 5.290145 5.51232 5.52333 5.76597 5.479165 4.555715 5.110735 5.1102 5.323605 5.270805 5.75998 5.249395 5.78796 4.96129 4.99825 4.846015 4.95291 5.20204 5.075465 4.97665 4.70817 5.050375 4.87958 5.46866 4.63182 5.60919 5.100515 5.47432 5.50054 5.157865 5.107035 5.205405 4.95818 6.21776 5.978045 5.78848 5.151725 651078 1H-Pyrrolo[1 6.208015 7.68908 6.155485 7.66537 7.31719 7.75186 5.87857 7.22597 7.57792 7.36466 6.88576 7.02846 7.71688 7.38978 5.80391 7.5188 6.313775 7.5071 7.71141 7.65847 6.72288 6.01244 7.71798 7.37506 7.6965 4.86841 7.52653 7.2602 7.179245 7.54197 6.6312 7.26126 6.7159 6.87191 5.98385 6.28238 6.70722 6.293825 7.47167 7.42476 7.26581 7.30292 7.29321 7.04587 7.5787 6.15651 6.67392 7.29632 6.42451 6.90772 NA NA NA 7.9539 NA 7.62228 7.72657 NA 7.76766 6.40251 651080 6-N-aziridinyl-7-methyl-2 7.61542 7.6278 7.56268 7.368565 7.55554 7.446075 7.74332 7.74328 7.83147 7.49739 6.66356 7.30435 7.98686 7.59881 5.63454 7.46169 7.654895 7.63733 7.51617 7.61277 7.72418 6.89797 7.53786 7.74802 7.77575 7.713435 7.74326 7.26512 7.14328 7.59931 6.9605 7.46581 6.86767 7.54571 6.34978 6.40562 7.6137 7.50755 7.21487 7.47693 7.78819 7.56736 7.6548 6.885595 6.90516 7.20255 6.96908 7.45003 7.0792 7.26688 8 7.60426 7.66894 7.67782 5.71755 7.55431 7.52586 7.65399 7.81686 5.95559 651084 1H-Pyrrolo[1 5.34473 5.70121 5.39556 4.893195 4.82202 4.99652 4.76892 5.58307 5.43237 4.69204 4.98876 4.7557 4.76479 4.675555 5.70562 4.7709 4.68131 5.2487 5.14517 4.771395 5.51604 5.12984 4.83964 5.51917 5.16835 4.857365 4.78879 5.77278 5.680415 5.39746 4.80104 4.84395 6.04353 5.57844 5.7888 5.62669 4.79148 5.080555 4.68379 4.76125 5.60754 5.17018 4.96412 4.77726 5.66387 4.82978 4.75995 5.13095 5.68312 5.65403 5.72832 5.347735 5.61826 4.724605 5.97824 5.39246 5.71565 5.71258 4.930425 6.103785 651590 651590 6.697525 6.468005 4.78184 6.397355 4.8687 5.1154 5.30808 4.95926 6.869965 4.73115 4.74148 4.61536 4.75836 4.73504 4.94601 4.44473 4.77362 5 4.83937 4.572415 4.99136 5.74141 5.03842 5.47556 5.566555 4.93062 4.904245 4.93437 8 5.34839 4.72343 4.74788 6.30907 5.81689 5.81154 6.10036 4.79703 4.84572 6.30468 5.34624 5.218045 5.55245 5.23411 5.112355 4.804655 4.54654 5.51916 4.72769 5.93472 5.85786 NA NA NA NA NA NA NA NA NA NA 651593 651593 4.81066 5.7261 4.72202 4.76876 4.8463 4.75577 5.27506 4.76714 5.78041 4.59958 4.67907 4.7457 4.71997 4.695695 5.702165 4.62728 4.83411 4.82946 5.256505 4.781135 4.715405 4.84011 4.74776 5.56677 5.76094 5.52324 4.87811 5.637195 5.11308 5.5625 4.74624 4.61911 5.82321 5.68127 5.70306 5.678615 5.46849 4.7355 4.773725 5.700685 5.74071 5.54274 5.46855 5.40354 5.64291 5.356245 5.75973 4.7839 5.59007 5.62825 5.60928 NA 4.7772 4.78177 5.20612 NA 4.74892 NA 5.06181 5.63605 651727 .alpha.-Cyclopentoblastine 6.63748 6.91222 6.53878 7.35389 6.44324 6.88797 6.84887 7.02024 7.65473 6.72721 6.32209 6.339825 6.59694 7.0791 6.278575 6.916175 7.2074 6.8963 6.70452 6.85546 6.70916 6.88095 6.47905 6.58168 6.7202 6.353855 7.14667 7.6326 6.100815 6.61019 6.37232 6.72501 6.662 7.15336 6.61449 6.79904 5.44981 6.31228 6.60005 6.1382 6.67673 6.35234 6.33717 5.810195 6.56284 6.59433 6.88089 6.30185 6.78761 6.61087 7.89634 5.94066 7.47337 7.7817 7.11842 NA 8.49842 8.44036 NA NA 651827 651827 5.43051 4.89836 5.42472 5.03169 5.06922 4.83822 5.41684 4.850105 4.88698 4.7818 4.7348 4.90336 5.1375 4.72699 4.921955 4.89147 4.978115 4.95568 5.13406 4.84749 4.93313 4.9836 4.94969 5.15625 4.78198 4.70617 4.92517 4.85631 4.87442 4.77121 4.90095 4.74521 5.48584 5.33444 5.51611 5.515785 4.77517 4.84916 4.72685 4.73473 4.86343 4.83644 4.95341 4.73261 4.89779 4.72769 5.01709 4.88559 5.475 5.65266 6.211605 4.745925 4.897045 4.899515 4.87774 5.073315 5.18604 5.16011 4.84045 4.963915 652112 652112 6.38185 6.37093 6.57462 6.56746 6.7123 6.47003 6.62844 6.537 6.72444 6.35609 4.80753 6.47291 6.584705 6.31288 6.50251 6.30902 5.63458 6.655925 6.17201 6.67327 6.68483 6.49457 6.60142 6.67198 6.464 6.45759 6.63225 6.70527 4.04511 6.47996 6.43846 6.55699 6.74639 6.69881 6.45168 6.77009 5.77642 6.46796 NA 6.510465 6.66039 6.43994 6.493115 5.759485 5.707325 6.59697 6.70938 5.362405 6.64437 6.36925 NA NA NA NA NA NA NA NA NA NA 652173 652173 6.3106 6.20794 5.29957 6.136315 4.775485 6.60141 5.41857 7.24277 6.52368 6.78508 6.03728 6.20947 6.867115 6.516425 5.89644 7.017635 7.014065 6.915635 5.99184 7.13253 6.8018 5.26571 5.87153 6.937485 5.892595 6.53524 6.24999 6.72166 6.16204 6.272865 7.268555 7.089065 6.78351 6.997005 6.53368 6.57165 7.26276 6.1404 7.48502 5.8163 6.64242 6.295555 7.25549 4.85951 5.9402 5.89298 4.67408 5.16991 6.56309 6.13499 6.16184 6.252925 5.88861 6.87863 6.48397 NA 7.212515 6.97522 6.35896 7.12635 652287 652287 4.600265 4.110685 4.579895 4.591625 4.35398 4.752045 4.47515 7.77119 4.54092 5.568015 4.61138 5.038285 7.450615 6.54044 4.555295 4.293355 4.42069 7.015915 4.33016 4.78926 4.828455 6.112755 6.60813 7.19727 6.562755 5.01645 4.58999 7.003655 6.669345 4.82293 7.491545 5.15356 5.67102 6.20679 5.511935 5.43071 4.352985 5.352775 7.79348 8 6.20221 5.349245 4.930485 7.59237 7.60426 7.293475 6.289965 7.755505 5.527835 5.270965 7.27046 4.76243 4.401665 5.254165 4.473765 4.608085 5.286425 5.35037 5.44767 6.60784 652536 652536 5.3945 5.71952 5.59617 5.42847 5.62052 5.35206 5.7308 5.48744 5.92596 4.72888 4.71482 4.78926 4.82346 5.27261 5.6005 4.97796 4.81194 5.44322 5.51152 4.94058 5.358315 4.80919 4.85462 5.41424 5.69699 5.76695 4.8005 5.6228 4.90614 4.82549 5.55872 4.77181 5.75123 5.56279 5.67384 5.647935 4.83226 4.98516 4.69711 5.32885 5.93088 5.779275 5.22119 5.575015 5.23631 4.64343 5.700815 4.6699 5.8581 5.11164 5.74399 4.48224 5.36871 4.76452 5.61737 4.768 5.28621 5.4985 5.48333 5.69365 652538 652538 5.74695 5.7292 5.70444 5.68995 5.68958 5.29645 5.73679 5.17226 5.80276 4.63355 5.04794 4.75835 5.00283 5.31846 5.64677 5.71829 5.36967 5.75048 5.55474 4.81337 5.617455 4.80661 4.76449 5.25967 5.67311 5.5188 5.20414 5.69577 4.90865 5.40947 5.72148 4.72116 5.61387 5.37154 5.47097 5.5261 4.84838 5.074885 4.79658 4.95025 5.74452 5.72851 4.82792 4.95344 5.68496 4.56649 5.7586 4.53812 5.55331 5.43465 4.96925 4.23676 4.76069 4.75322 4.65714 4.70238 4.94327 4.95003 5.27191 5.12952 652565 652565 5.20996 5.04933 4.03797 4.94124 4.70944 5.46 4.88673 5.191015 5.46018 5.45769 4.658225 4.59749 5.48138 5.35027 5.02095 4.83479 5.12059 5.2068 4.60518 4.94735 5.15557 5.30846 4.90812 5.21225 4.95383 5.73971 4.81122 4.83889 5.54088 5.39609 5.27774 4.78249 5.536005 5.125405 5.59285 5.79739 5.28978 5.04186 4.81647 5.0581 NA 5.31385 5.51085 4.92392 4.70364 5.50182 5.30548 4.75481 5.70836 5.37881 5.65668 5.076135 5.23034 5.242765 5.612215 4.7975 5.197905 5.17225 4.82569 5.3323 652890 652890 5.674755 5.56777 5.48456 5.81134 5.39067 5.61452 5.30674 5.49764 5.90141 5.129505 4.84354 5.00182 5.47917 5.39459 5.53838 5.23277 5.37854 5.61156 5.52036 5.0368 5.618285 4.98451 5.57728 5.58867 5.73133 5.32383 5.38415 5.55561 5.335 5.66367 5.39306 5.03728 5.81884 5.49953 5.68834 5.71576 5.72874 5.3145 4.90819 5.52236 5.58069 5.480115 5.570985 5.30856 5.29746 4.877945 5.11869 4.85654 5.489135 5.58149 5.28746 5.3838 5.400015 5.346605 5.288535 5.4971 5.53636 5.504795 5.32432 5.41203 652891 652891 4.94545 4.57366 4.72146 4.74085 4.59807 4.57091 4.85937 4.53197 5.64442 4.51539 4.37428 4.519555 4.64736 4.68547 4.53449 4.42 4.7137 4.72442 4.66875 4.52672 4.67562 4.66983 4.71962 4.76592 4.74977 4.72345 4.886065 4.6162 4.155545 4.71134 4.49278 4.39217 4.73755 4.58763 4.70124 4.78614 4.67992 4.45943 4.62199 4.74501 4.640355 4.63506 4.62068 4.2671 4.59189 4.662335 4.52222 4.36321 4.86782 4.97487 4.483475 4.66548 4.54198 4.466175 4.359855 4.56865 4.396395 4.56327 4.48691 4.35602 652892 652892 5.08328 4.87302 4.78989 4.93425 4.86625 4.77295 4.76833 4.76007 5.56625 4.60186 4.58116 4.82352 4.81504 4.76594 4.77823 4.71989 4.99793 5.051645 4.83688 4.61833 4.9326 4.76537 4.80601 4.86447 5.12869 4.89959 4.97639 4.80165 4.73095 4.74768 4.81784 4.78816 5.47541 5.41352 5.12086 5.14926 4.87796 4.86866 4.71939 5.07739 4.91352 4.91544 4.81429 4.64255 4.81729 4.82979 4.78572 4.75667 5.44028 4.96547 5.39966 4.76005 4.708005 5.041295 4.799825 4.71246 5.041975 5.211885 5.033175 4.68586 652893 652893 5.77091 5.673355 5.589915 5.599905 5.505 5.195785 5.70819 5.735635 5.806625 5.574735 5.23791 5.19631 5.624305 5.604985 5.317445 5.20532 5.55193 5.70377 5.651505 5.55255 5.6858 5.02426 5.577205 5.677175 5.68526 5.624345 5.74836 5.615465 5.083345 5.76893 5.52042 5.42684 6.37814 5.489 5.66496 5.84296 5.71195 5.681165 5.45519 5.54578 5.56767 5.691105 5.70164 5.30564 5.396755 5.25925 4.77362 4.923175 5.864445 5.869875 5.36441 5.53637 5.43682 5.460115 5.225455 5.38133 5.50482 5.615825 5.44506 5.483255 652903 652903 2.58668 2.04613 2.31066 2.18871 2.30413 1.72972 1.99893 2.27934 2.82391 0.6672 1.25817 1.28538 1.75636 2.18077 2.82391 1.78869 2.75435 2.24286 1.94119 1.7633 2.13573 2.04419 1.85576 1.81943 2.21927 1.524 1.32761 2.40671 1.996655 1.56364 2.18412 1.172895 2.23218 2.40033 2.31388 2.26177 1.50083 2.17135 1.57801 1.4281 2.39836 1.72989 1.41557 1.3435 1.93276 1.62528 2.51557 1.41638 2.34737 2.41711 2.530255 0.37771 2.175485 1.81431 2.20018 2.82391 2.285385 2.23359 2.51819 2.553195 653438 11H-Benzo[g]pyrido[4 5.889195 4.83158 4.913985 4.85461 4.68206 5.80841 5.381535 4.85886 5.978165 6.27148 5.74059 5.75943 6.44724 6.04943 4.9658 5.92609 5.76917 5.95506 5.47067 5.858 5.674765 5.73917 6.22054 5.99718 5.8642 5.98375 5.82565 5.41238 5.75303 5.75465 5.82284 5.13419 6.19272 5.78388 7.29851 6.54993 4.98739 5.56796 4.868425 6.34788 5.76878 6.10293 5.73797 4.976625 4.7668 5.36481 5.258315 4.95999 6.21507 5.73288 6.71914 5.55085 6.16342 5.80462 5.80253 5.77404 5.09272 5.78303 5.72423 4.74795 653547 653547 5.36298 5.79312 5.0717 4.817615 5.51324 5.28829 5.4595 5.45068 6.19457 4.81769 5.10045 4.74945 4.81174 4.761735 5.8364 4.77017 5.02407 4.85301 4.86661 4.84608 5.43967 5.45645 4.808955 5.73304 5.81392 5.7525 4.799575 5.390465 5.624365 5.46429 4.80298 4.79051 6.07554 6.15446 5.79438 5.91003 5.64988 5.34602 4.88003 5.893185 5.78974 5.56846 5.62766 5.66567 5.355065 4.86349 5.91361 4.91914 6.00929 5.70515 5.45985 5.30831 4.96054 4.78461 5.33525 4.81352 5.40944 5.41667 5.50306 5.62288 653823 653823 5.303135 4.7603 4.517975 4.91092 4.56205 5.04986 4.9534 5.29645 5.311795 4.9386 5.07514 4.95995 5.13485 4.85605 4.6351 4.67154 4.67719 5.12835 5.07038 4.99295 4.83 4.99546 4.89736 5.09317 4.99 5.32041 4.86685 5.42627 4.95652 4.92779 4.70881 4.82353 5.43172 4.99656 5.45552 5.34712 5.38913 4.65484 4.31064 4.898965 4.54444 5.23529 5.26321 4.49232 4.84811 4.7617 5.003 4.45609 5.4881 5.15022 4.98989 5.40553 5.23719 4.68078 5.086175 4.24951 4.5566 4.712725 4.67664 5.58175 653830 653830 5.83213 5.30089 5.53519 5.53645 5.2268 5.26227 5.290195 5.50303 5.460305 5.26772 5.25543 5.378095 5.34398 4.80637 5.35286 5.009245 5.12177 5.48248 5.36956 5.3601 5.44276 4.81559 4.844025 5.45478 5.12951 5.57127 5.43933 5.5089 5.36217 5.37179 5.2955 5.26917 5.87051 5.41737 5.67716 5.45096 5.59196 5.06799 4.51918 5.309255 5.04539 5.44026 5.50038 4.70763 5.52193 4.73553 4.62271 4.6143 5.83151 5.42141 5.500695 5.53376 5.273235 4.99315 5.37786 5.11722 4.98295 5.1246 5.76122 5.46178 653847 653847 6.05729 5.31044 5.429005 5.57297 5.15414 5.32944 5.55671 5.64501 5.29339 5.531795 5.24731 5.52277 5.50035 5.43278 5.243225 4.865925 5.13577 5.49687 5.62706 5.32331 5.39403 4.69214 5.01977 5.47211 5.33047 5.56484 5.41197 5.72277 5.59698 5.46989 5.356585 5.37138 6.21062 5.50864 5.65884 5.64928 5.61196 5.05392 4.460365 5.40257 5.65146 5.7466 5.61996 5.35092 5.42222 5.43073 4.819805 5.43173 6.33157 5.48239 5.34713 5.463225 5.39491 5.59506 5.495125 4.7624 5.06885 5.287105 5.14829 5.52812 654206 Naphthsaritone 5.59948 5.79061 5.63146 5.77005 5.65107 5.69409 5.73756 5.72191 5.70938 4.71473 5.63137 4.73789 5.11933 4.767265 5.75263 4.81129 4.74635 4.7826 5.02081 4.83383 5.13986 5.370275 4.80579 5.7457 5.70129 5.76187 4.90192 5.82249 5.72151 5.59123 4.87193 4.81287 5.72608 5.57062 6.35062 5.744105 5.75036 5.68848 4.73238 5.72612 5.72495 5.75801 5.75062 5.71018 5.74081 4.96974 5.62848 4.81606 6.05805 5.41596 5.70191 5.74144 5.67814 5.09363 5.7553 5.51327 5.74915 5.72246 5.75837 5.75346 654236 654236 5.702705 5.7846 5.54368 5.72278 5.26251 5.55696 5.5404 5.65785 5.27911 4.98649 4.75652 4.792055 5.12971 4.8228 4.90111 4.868085 5.0675 5.21909 4.87126 4.93272 5.53904 4.66816 4.76449 5.35894 5.650395 5.28339 4.92549 4.92306 5.21291 5.32437 4.91535 4.69298 5.16305 5.58374 5.20539 5.14829 5.37701 5.4315 4.86265 4.74493 4.92963 4.92795 5.482 4.50405 5.680025 4.74403 4.767235 4.88007 5.37765 5.25124 5.77837 5.10927 4.79447 5.10897 5.30734 4.759455 5.80082 5.75894 5.61548 4.86904 654259 Glycylaminophenylbenzoylurea 6.0231 7.198955 6.78915 7.01802 6.18031 6.14345 6.32591 7.111 6.65276 6.23248 5.84467 5.878065 6.3273 6.54147 5.28879 6.33816 6.758985 6.14434 6.24461 7.33093 6.8877 6.55008 5.24514 6.4212 6.39369 5.64174 6.47508 6.51846 4.83186 6.13646 6.44244 7.5187 6.46674 6.52208 5.62596 6.30836 6.40103 5.69873 6.78032 7.175305 7.385865 6.45711 5.1189 5.2052 5.291005 5.94618 6.67703 4.59613 7.04812 5.622655 6.55535 6.70553 6.70208 6.39986 6.40592 7.55744 6.71124 7.07342 NA 4.12494 654260 L-alanylaminophenylbenzoylurea 6.93083 6.68481 7.364565 7.41567 6.63398 6.830745 6.8955 7.23794 7.516055 6.74279 6.506605 6.545 6.68622 7.45704 5.212895 6.565785 8 6.54603 6.27709 7.42424 7.82991 6.968215 6.6697 6.37441 6.73285 6.4275 6.75848 7.71013 4.9697 6.789435 6.76715 7.83392 7.17455 6.72811 6.69713 7.328775 6.41351 7.10288 7.592885 7.92438 8 7.33946 5.71461 5.91154 6.50971 7.17163 7.13584 6.22616 7.991975 6.72162 6.8999 7.70028 7.484185 6.83194 6.86612 7.75226 7.580255 7.71817 4.57209 4.82026 654261 N 4.91294 5.378905 4.94819 5.93566 4.6407 5.31416 5.881705 5.82692 5.887275 5.57879 5.02438 5.35504 6.16251 5.701775 4.58097 5.022065 5.908005 5.55637 5.09694 6.28502 5.873345 5.773865 6.01061 5.812385 5.766085 5.43065 5.94156 5.962395 4 5.25374 5.69759 5.62616 5.60233 5.488875 5.454605 5.350195 5.170525 4.73698 5.864595 5.69348 5.74654 5.432995 4.907165 4.780585 4 5.30793 5.815445 5.26888 6.363915 5.06043 6.09429 5.86154 5.954065 5.587495 5.77243 5.72003 6.566965 6.65316 4 4 654379 654379 8.09281 6.87462 6.77688 7.08437 6.74857 8.03601 7.09868 6.72452 7.22848 6.76616 6.94434 8.01743 7.02446 7.22631 6.703625 6.58147 6.37058 7.54334 6.79997 6.88195 7.22932 7.46383 6.57677 9 8.10978 7.91856 6.95569 8.59805 7.143895 7.9075 8.09869 7.1962 9 9 8.71943 8.50481 6.96366 6.979335 6.61492 6.8838 6.95655 7.66838 7.18146 6.59908 7.82448 6.77577 8.907275 6.98981 9 8.31412 8.90419 8.318975 8.01546 6.230545 7.75599 6.546515 7.02076 6.842615 6.901135 8.576625 654893 654893 5.100195 5.16589 5.216965 4.79335 4.85308 4.92448 5.14086 4.835285 5.74348 4.68894 4.59819 4.72852 4.69242 4.67239 5.01053 4.72686 4.7363 4.78692 4.86932 4.77093 4.7955 5.07904 4.50132 5.25733 5.469405 5.43381 4.73736 5.11665 5.3494 5.06138 4.95935 4.70467 6.22741 5.84166 5.87328 6.16738 4.77732 5.18624 4.67209 4.92258 5.48247 5.75705 4.80626 5.187555 4.88508 4.63955 5.5427 4.72046 6.43633 6.00991 NA NA NA 4.74923 NA 4.77483 4.8961 NA 4.81405 5.48212 654968 654968 4.85612 4.774825 4.70429 4.75443 4.82361 4.77685 4.73194 4.807635 4.950185 4.54317 4.62695 4.43859 4.6503 4.36295 4.541905 4.15539 4.59175 4.74929 4.6264 4.29494 4.669015 4.535615 4.4369 4.75973 4.77259 4.80159 4.50909 4.50478 NA 4.7282 4.67888 4.41852 5.02924 4.62283 4.64859 4.947125 4.59969 4.71741 4.652395 4.717025 4.890595 4.67478 4.7595 4.51105 4.70591 4.594815 4.80284 4.43846 4.8818 4.76154 4.655365 4.70983 4.64657 4.69945 4.60506 4.502145 4.80842 4.72674 4.57959 4.538725 655105 Cycloshikonin 5.750245 5.813655 5.60773 5.88442 5.709185 5.701415 6.04826 5.748005 6.254335 4.992895 5.44937 4.81327 5.359735 5.503415 5.81896 4.91282 4.946435 5.645485 5.59782 5.00178 5.268435 5.6633 4.896345 5.8847 6.29314 5.78526 5.163925 5.69371 5.77931 5.663545 5.271385 5.32319 6.48969 5.6136 6.31218 6.00608 5.74327 5.71858 5.166845 5.953775 5.835695 6.013115 5.78245 5.69262 5.78078 5.393345 6.162595 5.63721 6.57217 5.56069 6.66498 5.553665 5.544345 5.62022 5.8298 5.562715 6.48109 6.23867 6.01618 6.33709 655360 655360 5.573845 4.78772 4.7146 5.10024 5.31706 4.8845 5.580725 4.84034 4.90638 4.76977 4.617105 4.7844 4.82653 4.75944 4.687995 4.81494 4.87844 5.325715 4.88129 4.8109 5.4772 5.58097 5.116315 5.75868 5.65755 5.4626 4.9118 5.15418 4.88132 4.873235 4.92816 4.74784 5.55144 5.60137 5.5605 5.576045 5.08843 4.78337 5.20044 4.783 5.54987 5.73404 4.79352 4.79547 5.04919 4.83734 5.43643 4.774405 5.70865 5.99347 5.66933 4.59766 4.75964 4.7505 4.69226 4.872075 5.70592 5.53986 5.17053 4.85949 656156 656156 6.41729 6.7792 6.37791 7.09611 6.06583 6.39418 6.6203 6.81534 6.74586 6.09978 NA 6.3379 6.40656 6.387985 6.27273 6.3645 5.743775 6.59639 6.33376 6.44272 6.69692 6.51608 6.491705 6.60999 6.54799 6.60447 6.77416 6.92967 4.683655 6.387715 6.3604 6.59968 6.64894 6.74403 6.46711 7.3902 6.31783 6.22661 6.513205 6.625 6.61232 6.38031 6.11463 6.28942 5.33757 6.43182 6.776795 5.7457 6.64524 6.44603 6.53259 6.702305 6.59648 6.51894 6.38952 6.57 7.42166 7.528575 6.4047 4.28433 656158 656158 7.06042 7.26507 7.04186 7.68377 4.48301 6.4335 7.28231 7.376655 7.42823 6.66383 NA 6.41727 7.04847 6.721105 6.67446 6.69425 7.37765 7.04464 6.61613 7.15286 7.11025 7.08097 6.96012 7.34922 7.447615 7.47449 7.56408 7.52199 4.609115 6.575605 6.927465 6.70413 7.01553 7.31746 6.70837 7.83239 6.21178 6.58261 7.14004 NA 7.089535 6.81672 7.05321 5.541335 5.919925 6.81897 7.291375 5.882095 7.51838 7.199935 7.020545 7.455875 7.304545 7.39919 6.53655 7.13823 8 8 NA 4 656159 656159 7.37252 7.42015 7.50714 7.46566 7.358 6.54474 7.44632 7.46177 7.64663 6.91053 5.18321 7.19757 7.05288 6.89886 7.16226 6.907185 7.475895 7.33467 6.91202 6.87058 7.49444 6.96104 7.40402 7.3351 7.48919 7.43016 7.42097 7.62854 6.03804 7.45972 7.22828 7.30165 7.41758 7.27489 6.82362 7.61747 7.22789 7.02302 6.74902 7.289675 7.5776 7.37324 7.06702 6.11442 7.49954 6.72537 7.27066 7.01244 7.62188 7.54551 7.30575 7.69942 7.37705 7.47854 6.81081 7.64549 7.949155 8 6.69964 4 656202 Breflate 6.85952 6.84599 6.46819 7.20131 6.57566 6.58884 7.22864 6.40048 6.28298 6.21713 6.36084 6.58876 6.40111 6.33075 5.9834 6.15066 6.21281 6.2758 6.303805 6.5435 6.364 6.61053 6.97044 6.73025 6.66785 6.48863 6.86836 6.663095 6.54051 6.65006 6.15991 6.84749 6.54693 6.425735 6.5105 6.52488 6.8383 6.52684 6.48602 6.57014 7.33333 7.15 6.30991 6.50388 6.57278 7.30977 7.1411 6.38103 6.56073 6.344995 6.43634 7.78 6.50247 6.48938 7.70414 7.3996 6.40644 6.41661 6.37075 6.57389 656239 656239 7.425445 6.74702 6.73658 6.8569 6.76922 6.75642 7.395265 6.74182 6.105035 5.78138 5.7327 5.788205 5.90533 5.73982 5.837095 6.73036 6.73047 6.59608 6.608475 6.77193 6.66793 5.71795 5.75457 6.72132 6.74819 6.7415 5.91526 6.65401 6.656865 6.65243 5.82161 5.666735 6.321525 6.18464 5.72723 6.518665 6.61894 6.72685 5.86303 5.752915 6.73217 5.99723 6.31562 5.68967 6.7824 5.72867 5.7328 5.89647 6.35374 6.5 6.249485 6.72678 5.68059 6.7436 6.100905 6.636405 7.72755 7.314525 NA 5.642375 656280 656280 4.75517 5.77057 4.78497 4.72408 4.77289 4.74539 5.34462 5.399445 6.83665 4.68976 4.9508 4.73237 4.70089 4.67587 5.13436 4.82907 4.775705 5.24861 4.5758 4.67353 4.7997 5.27322 4.80624 5.25632 5.79525 5.65379 4.99125 5.53659 5.484065 4.77784 4.69089 4.74855 5.65314 5.57196 5.71775 5.72706 4.78565 4.78404 4.58201 5.30381 4.84674 5.34375 4.80001 4.7808 4.77912 4.67063 5.03631 4.815 5.7 5.84606 5.78617 4.973 4.80969 4.73055 5.147365 4.862515 5.250245 5.23167 4.810825 5.185145 657278 657278 7.26733 7.22313 7.142705 7.361715 7.195395 6.75608 7.08425 7.30312 7.184745 6.78866 6.81048 7.18636 7.21035 6.7928 7.10129 6.843335 4.51328 7.27178 6.15898 6.75179 6.98943 7.3897 6.84223 7.28191 7.45772 7.45523 7.35733 7.11066 4.87584 6.65662 6.762825 6.84654 7.37497 7.39918 7.07351 7.24953 6.49724 6.69212 6.97115 7.242065 7.38105 6.48851 6.00499 5.90192 7.26952 6.89903 7.4878 6.44337 7.684035 6.90726 7.40145 7.24633 7.34578 7.29665 6.75864 6.35682 7.8896 7.86732 NA 4.575265 657279 657279 6.57012 6.207005 6.520835 6.60817 6.14619 6.20376 6.4855 6.45472 6.57216 6.28595 6.422815 6.07762 6.49492 6.41131 6.34454 6.37443 5.978365 6.62076 4.88805 6.34563 6.599265 5.46091 6.525705 6.45751 6.51367 6.65163 6.3215 6.60626 6.23353 6.54042 5.962925 6.48661 6.52277 6.64016 6.5402 6.40053 6.15442 6.3556 6.61923 6.17197 6.39412 6.41339 6.12945 5.59692 4.175 6.48228 5.71858 6.10392 6.77555 6.57498 5.5566 6.63207 6.48519 6.12155 6.30533 6.51902 6.762 6.8396 6.3286 4.28389 658142 658142 5.55267 6.1954 5.64838 5.83707 5.0822 5.49387 5.46355 5.57438 5.48584 5.38463 4.39092 5.36711 5.44223 4.49742 5.34818 4.674045 5.026075 5.4375 5.02858 4.682265 5.5315 5.52192 4.69493 5.60626 5.4547 5.48605 5.124255 5.61973 5.31401 5.3308 5.20898 4.26988 5.44366 5.47599 5.39113 5.42459 5.210025 5.208195 4.16171 5.42727 5.26411 5.23557 5.28206 4 5.32127 4.15465 5.4313 4 5.69323 5.41277 5.57418 5.64772 4.64066 4.74295 4.59369 5.2373 6.286265 5.7436 5.18361 4.420305 658144 658144 6.36226 6.22783 5.78576 6.51395 5.730725 5.81408 6.03399 5.74822 6.57364 5.76843 5.62544 5.76017 5.85807 5.6286 5.69855 5.60169 5.738885 5.664175 5.649175 5.7506 5.69236 6.49839 5.9519 6.48189 6.57482 6.40294 5.71418 6.65384 5.82458 6.022175 5.77018 4.91776 6.46157 6.085655 6.190715 8 5.63052 5.770455 5.41844 5.4282 5.76036 5.70192 5.71976 5.50026 6.50139 4.82805 6.74531 5.75632 6.160155 5.612975 6.72744 5.66749 6.2222 5.77694 5.77953 5.609795 6.628855 6.66915 5.69773 6.31623 658387 658387 5.34679 4.87873 4.92923 4.81931 4.60704 5.20858 4.81592 4.673835 4.796955 4.54334 4.74158 4.23786 4.55452 4.67526 5.538255 4.19264 4.52812 4.83538 4.84718 4.75624 4.75436 4.63853 4 5.3137 4.96301 4.78592 4.78216 5.33513 5.72538 4.88838 4.96696 4.66633 5.94584 5.68685 5.83871 5.017895 4.921765 4.90094 4.36752 4.85901 4.8475 4.87077 4.9221 4.71891 4.99953 4.73206 4.71171 4.71727 5.89849 5.53487 5.010615 5.42887 5.02946 4 5.48493 4.4943 5.71679 5.49582 4.802855 5.554045 658450 658450 5.81646 5.71518 5.33847 5.83233 5.35576 5.77845 5.74857 5.69461 4.9148 5.02956 4.72804 4.755025 4.82736 4.77811 4.86842 4.550705 4.73001 5.1493 5.0447 4.68051 4.99264 4.77893 4.81914 5.25871 5.42267 5.52398 4.83064 5.57736 4.89075 5.68821 4.85387 4 5.42817 5.39483 5.42127 5.04145 5.120355 5.2777 4.960265 4.71385 4.91082 4.8796 4.90577 4.7438 5.68977 4.71843 5.32474 4.85188 5.71605 5.4673 5.62174 5.21184 4.76277 5.47147 4.99835 4.49656 6.12197 5.80307 5.151345 4.838135 658867 658867 6.937325 7.14357 6.98936 7.290605 6.743385 6.54428 7.19189 7.283445 7.2036 6.58136 6.32001 6.26949 7.241185 6.43642 5.840945 6.509795 7.18605 7.16702 5.96294 7.18172 6.69234 7.44526 6.7422 7.28543 7.39606 7.44842 7.52147 7.52591 4.8776 6.59102 6.84745 7.04277 7.09393 7.40618 7.09819 7.515355 6.22701 6.48711 5.48048 7.24931 6.844425 6.60429 6.11494 6.6625 6.6 6.5245 7.42308 5.63612 7.69673 6.95579 7.32062 7.45219 7.29175 6.46061 6.19205 7.04086 8 8 6.914515 4 659648 659648 6.41443 6.62797 5.657385 5.91653 5.93871 5.89931 6.50987 5.720625 6.80886 5.62776 5.72964 5.69501 5.7426 5.63824 6.50874 5.636555 5.58124 5.71984 5.71914 5.65185 5.79871 6.35963 5.66076 6.70787 7.0631 6.60632 5.60934 6.39314 6.01754 6.57182 5.88656 5.31091 7.72796 7.01152 7.7361 7.543725 6.21641 6.16591 6.277035 6.64202 6.62939 6.61171 6.52291 6.40109 6.36751 5.45313 6.7833 5.73979 8 6.695275 6.6555 6.0435 5.76443 5.77471 6.63792 5.60635 6.75641 6.57333 6.232115 6.475045 659687 659687 6.956915 6.62453 6.301635 6.83275 6.59141 7.1529 6.668235 7.19247 6.627655 7.978 6.04988 6.67131 8 7.72313 6.629475 6.65748 6.74947 7.59022 7.170235 7.17286 7.21997 6.50209 6.27274 7.3349 6.93675 6.96166 6.35559 6.44729 6.270245 7.18269 6.55742 6.789885 7.83816 6.77621 8 8 6.73892 7.37881 NA 8 6.52428 7.44842 7.77504 5.78297 5.8347 6.77457 6.38816 6.29887 7.656685 7.09508 7.40625 6.11631 6.99285 7.18774 6.67537 6.48649 6.548775 6.56965 5.686885 6.74669 659853 2-Methoxy-.beta.-estradiol 5.44204 6.08664 5.57699 5.78927 5.19863 5.55102 6.19962 5.60229 6.53156 5.26671 5.31664 5.2858 5.42118 5.79627 4.9515 4.919525 5.88624 6.06119 5.23376 5.74719 6.05198 4.69079 4.92159 5.67536 6.28643 6.25256 5.30792 6.24705 4.65252 5.69006 5.23443 5.42619 6.40879 6.43639 6.3267 7.30398 5.166765 4.97436 4.52485 4.9765 5.3444 5.47284 4.941005 5.00541 4.71787 4.32878 4.45681 4.45579 6.462075 6.388555 5.87818 6.39855 5.24675 5.60645 5.67913 5.97781 7.07755 6.85078 6.43393 5.3258 659997 659997 5.71346 5.79761 5.222865 5.75678 5.59639 5.70189 5.6991 5.317985 6.04308 5.02943 4.90587 4.89949 5.41574 5.42437 6.138945 4.837315 5.256195 5.09986 5.47793 4.79475 5.71984 5.52063 4.81774 6.11844 6.39625 5.70898 4.82237 5.79432 5.63111 5.45461 5.78041 4.71007 7.46165 6.16555 6.99205 6.10778 5.76783 5.65006 4.98266 5.99648 5.82774 5.74667 5.74181 5.72538 5.61272 4.73471 5.94018 4.97778 7.16302 6.13049 5.915645 5.55855 5.15251 5.37067 5.89227 5.48864 5.71376 5.76708 5.597535 5.607325 660654 Butenolide 4.75558 4.75827 4.680205 4.76703 4.6655 4.72092 4.79414 4.76517 4.66998 4.54235 4.6157 4.69107 4.69738 4.71647 6.114445 4.70501 4.42571 4.75683 4.68981 4.63692 4.70964 4.8452 4.72329 4.78817 4.74621 4.69437 4.73278 4.69922 4.68667 4.77051 4.64419 4.62955 4.75931 4.72251 4.69367 4.61399 4.69732 4.73826 4.70594 4.518 4.63915 4.74719 4.53156 4.52857 4.67028 4.66971 4.79613 4.73796 6.398635 4.65703 4.73802 4.71686 4.72786 4.39209 4.80089 4.7301 4.72812 4.67684 6.31982 4.5546 662825 662825 5.02056 4.83926 5.76565 4.89324 5.67406 4.7921 4.77048 5.58118 4.78808 5.50296 5.66394 5.77474 5.76306 6.07893 5.72029 5.66502 5.94534 5.98681 5.82645 5.78639 6.27147 6.05163 5.62972 6.42045 5.81546 5.6702 5.84391 5.87871 5.661755 5.75244 4.84076 4.5662 4.78875 6.05428 4.80468 4.74254 5.709255 5.13437 5.63117 5.84141 5.92038 6.85705 5.82439 5.77485 5.6716 4.78744 5.75287 5.47675 6.16752 6.798315 5.88211 5.55414 5.77897 5.69416 5.79043 5.9169 5.74628 5.63247 5.56249 5.83994 664177 664177 5.51602 5.17223 5.48651 5.54498 5.28225 5.42711 5.52996 5.45302 5.55492 5.324485 5.06567 5.35232 5.496515 5.52741 5.22813 4.71249 5.42801 5.37818 5.27935 5.40113 5.507795 5.581785 5.5989 5.54001 5.302715 5.45448 5.54455 5.454855 4.996355 5.460875 5.37659 5.28108 5.5645 5.61122 5.60405 5.75245 5.161135 5.50161 5.44427 4.96875 5.59718 5.22988 5.13437 5.08911 5.423605 5.5656 5.723305 5.252405 5.57467 5.56502 5.4854 5.71168 5.50388 5.40444 5.61472 5.38022 5.783215 5.79029 4.86153 4.96366 664264 664264 5.74241 4.79236 5.2079 5.06849 5.49958 5.20561 5.05165 5.24981 5.282205 4.77249 4.64135 4.78248 4.95069 4.6779 4.76988 4.83413 5.01764 5.25178 4.798215 4.9638 5.60417 5.60306 5.74332 5.65479 5.44773 5.52739 5.26258 5.16859 4.799645 4.864755 5.30738 5.13966 5.31907 5.47124 5.44839 5.58635 5.31417 5.31148 5.519675 5.18288 5.72206 5.62369 4.82174 4.79088 5.040945 4.72809 5.34351 4.836 5.70503 5.856955 5.64144 4.71669 4.89667 4.81734 5.07031 4.94159 5.47552 5.676995 5.209725 4.72462 664311 664311 6.47478 5.99979 5.7736 5.67181 5.45728 5.82292 6.11183 5.84187 6.231295 5.39787 5.66227 5.67916 5.514 5.6368 5.46027 5.534195 5.87256 6.022255 5.74959 5.491375 5.8127 5.89474 5.70341 5.889925 6.06096 5.77329 5.78866 5.796725 5.50198 6.062945 5.660245 5.26454 7.47797 7.39953 6.95911 6.70565 5.685105 6.29955 5.36417 5.575815 5.80737 5.9889 5.60784 5.72817 5.38205 5.91313 5.84966 5.59894 6.53765 7.23226 5.7631 6.252365 5.73913 5.52895 5.54101 5.76625 5.82621 5.871175 6.067675 6.76658 664316 664316 6.68804 5.74587 5.5617 5.53539 5.48536 5.6813 6.08063 5.84666 6.38427 5.10706 5.66416 5.484635 5.09274 5.458335 5.37324 5.28462 5.61576 5.60251 5.603055 5.43008 5.47991 5.82903 5.36866 5.89006 6.23915 5.37741 5.50178 5.66545 5.66069 5.80299 5.71756 4.850025 7.79472 7.03137 NA 7.559105 5.13549 5.987565 5.32372 5.74172 5.600535 6.323905 5.09706 5.30565 5.5221 5.7965 5.8995 5.16976 6.014445 7.030945 5.595725 5.80671 5.707175 5.46722 5.60685 5.69221 5.73093 5.82587 6.34456 6.51108 665076 665076 8 7.4983 5.77548 6.30916 6.89549 6.44158 7.61689 6.31592 8 5.13198 5.51356 5.328085 5.68974 5.08474 6.5553 5.27437 5.91627 5.64243 5.85382 5.42704 5.78163 6.43653 5.67904 7.07958 7.69679 7.14872 5.79736 5.89239 7.07229 6.55495 6.36174 5.53498 8 7.928355 7.77967 6.88642 5.95971 6.303575 5.43622 6.66661 7.39609 6.9704 5.97487 6.48375 6.33208 6.19907 7.32787 5.70758 8 7.754755 7.30723 5.91361 5.75221 5.14218 6.39803 6.38911 6.5026 6.80233 6.82205 7.39791 665299 665299 5.30534 5.48975 4.96665 5.36747 5.35168 4.31198 5.01788 4.75531 4.49611 4.57729 4.08808 4 4.68225 4.76382 4.75032 4.53238 4.77186 4.66536 4.29046 4.47309 5.49182 5.400175 6.109445 4.58306 4.87887 4.479575 4.36571 4.51016 4.66076 4.55229 4.461695 5.45023 5.3133 5.7056 5.50606 5.56515 4.730875 4.46209 4.281495 4.36912 4.85255 4.813005 4.11107 4.60266 5.68166 4.45093 5.756 4 5.83411 5.77844 4.44732 4.45585 4.733235 4 4.68205 4.91945 4.47429 4.992465 4.688 5.221735 665364 4-Quinolinamine 5.62946 4.78077 5.55251 5.32284 5.71731 4.87241 5.73511 4.85148 5.19654 5.27198 4.63222 5.025465 5.26055 5.57783 4.92198 5.2123 5.23471 5.46239 5.05239 4.79059 5.7055 5.48269 5.4684 5.76715 5.23866 4.97773 5.125335 5.61421 5.57336 5.40403 4.9405 4.706925 5.66731 5.612685 5.69094 5.77132 4.83082 4.87327 5.116615 5.13152 5.256195 5.56187 4.80962 4.78211 4.74274 4.76272 5.66804 4.75063 8 5.534145 5.39891 4.733795 4.87542 4.84596 5.60878 4.82582 5.38487 5.35633 4.87201 5.20563 665484 665484 5.18197 5.21367 5.129285 5.19677 5.12035 4.48738 5.00257 5.14093 4.792245 4.63106 4.59971 4.48389 4.75602 4.67811 4.3937 4.67432 5.26099 4.93936 4.8143 4.78304 4.91711 5.43755 4.74171 5.13475 5.25414 5.26193 5.31698 5.14286 4.66935 4.51576 4.97921 4.73767 5.07541 5.34209 5.30417 5.41962 4.83721 4.58096 4.88095 4.90185 4.85251 4.66895 4.66792 4.59701 4.70826 4.51293 5.22287 4.43609 5.47561 5.31685 5.20021 5.18406 4.7906 4.75565 4.57029 5.234445 5.70684 5.67269 4.74613 4.46219 665487 665487 5.50993 4.82932 5.28819 5.69022 5.17427 5.40723 5.73476 6.01267 6.20837 5.3975 5.65686 5.4237 5.44014 5.3348 5.08139 5.495575 5.69487 5.44478 5.35166 5.63629 5.71195 5.78702 5.53016 5.77843 5.82846 5.88939 6.14937 5.70824 4.96822 5.47671 5.57625 5.48157 5.72574 6.31063 5.71063 6.101 5.40023 5.18463 5.73042 5.5526 5.74978 5.36552 4.90294 5.20498 4.675515 5.25398 5.75467 5.12635 6.35677 5.48582 5.7775 5.564 5.72376 5.42492 5.45031 5.6544 6.58696 6.56733 4.17922 5.63455 665488 665488 6.66675 6.217965 6.14947 6.530165 6.37902 6.45066 6.56125 6.52639 6.69798 6.43484 6.40092 6.41912 6.421075 6.315495 5.491655 6.30994 6.506925 6.42504 6.28873 6.676095 6.67899 6.58586 6.47319 6.576935 6.469715 6.54503 6.76427 6.55057 5.553315 6.497025 6.40119 6.45916 6.55049 6.78526 6.44286 6.565965 6.21624 6.26478 6.58164 6.255325 7.05705 6.403105 6.205815 6.44088 5.149395 6.42446 6.60471 5.696375 6.58025 6.54712 6.59876 6.78731 6.55902 6.369365 6.504975 6.41427 7.01396 7.20372 5.76871 4 665491 665491 5.03676 5.04615 4.8981 5.29194 4.83259 4.53058 5.43001 5.19714 5.61477 5.02135 4.73207 4.52778 5.15503 5.03628 4.57673 4.848925 5.36441 5.13337 4.82566 4.89423 5.31683 5.48547 4.52215 5.23962 5.23181 5.27458 5.46537 5.326065 4.72636 5.08136 5.0473 4.71603 5.364575 5.43785 5.31132 5.34823 4.825815 4.6476 4.56723 4.92458 5.20155 4.85274 4.50685 4.5465 5.20468 4.64212 5.285 4.30287 5.634115 5.38896 5.30031 5.44763 4.68758 4.49546 4.61489 5.422915 5.79713 5.84737 5.18258 4.53183 665492 665492 6.28205 6.22315 6.42631 6.34314 5.79942 6.09182 6.43534 6.42363 6.582235 6.00877 5.74782 5.82378 6.26082 6.03684 4.84254 5.67672 6.35183 6.22536 6.01576 5.87078 6.33044 6.38573 5.57343 6.37975 6.38521 6.46625 5.332785 6.18408 5.12566 6.19569 6.25266 6.21855 6.40028 6.67828 6.43003 6.72079 5.79764 6.00858 5.92473 6.07814 6.15571 6.11756 5.39302 5.41165 5.60989 5.289235 6.3625 5.19178 6.87342 6.47677 6.46652 6.61391 6.22065 5.79322 6.089905 6.062895 7.19493 7.14171 NA 6.15495 665493 665493 8 7.6056 7.608225 7.796965 7.413605 7.242505 7.411235 7.93514 8 7.340105 7.03188 6.976065 7.49774 7.59629 NA 7.2976 7.71274 7.3418 7.25962 8 7.61234 7.54938 7.492645 7.38078 7.717945 7.821 7.99697 7.58082 6.37281 7.28833 7.19724 7.383395 7.7055 8 7.42829 7.869465 7.048005 7.059035 7.77303 7.64032 7.59957 7.34838 7.18494 7.1512 7.51854 7.21375 7.555885 6.5861 7.83747 7.822075 7.52855 7.729405 7.80866 7.37433 7.11137 7.75511 8 8 4 NA 665496 665496 4.69156 4.390405 4.85914 4.9406 4.48857 4.448055 4.8391 4.67935 5.21169 4.88491 4.30231 4.420355 5.19465 4.96401 4.40929 4.26698 5.112875 4.49507 4.56211 5.37565 5.0835 5.22495 4.85501 5.0562 5.07869 5.19428 5.14722 5.03088 4.43775 4.5065 4.76055 4.847465 5.06572 5.34848 5.08182 5.269005 4.51958 4.4039 4.53395 4.131985 4.98812 4.69518 4.48903 4.59545 4.44616 4.46517 5.0721 4 5.277345 4.84118 4.90801 5.42704 4.86344 4.61225 4.47647 4.710215 5.54826 5.52564 4.80556 4.61749 665497 665497 6.37486 6.16612 6.3574 6.31423 5.92725 5.405415 5.94145 6.07028 6.36037 6.00106 5.17715 5.57111 6.20084 5.83145 4.56201 6.14549 5.740015 6.10454 5.24523 6.49296 6.11697 6.40859 6.31955 6.38154 6.34853 6.4549 6.54389 6.36388 4.421175 5.33293 6.19851 6.12543 6.36783 6.46243 6.32426 6.366475 5.18971 5.30618 6.45344 5.54914 6.050085 6.10204 6.10703 4.98588 5.11386 5.33307 6.06074 5.40187 6.682035 6.349675 6.39508 6.48766 6.39867 5.7539 5.45886 6.389375 6.78671 6.62902 NA 4.99742 665500 665500 6.27202 4 5.65123 6.04846 5.48257 5.48508 5.58156 5.320995 6.58031 5.77778 4 5.76737 6.19124 6.20359 4.12472 5.33078 6.41603 5.6716 5.04044 6.47324 6.35279 5.64884 5.59036 6.16003 6.30243 6.18483 5.99146 5.86887 4.23758 5.40192 5.54218 5.77951 5.649065 5.985325 5.40163 5.59718 5.20775 5.33681 5.48571 5.129815 6.30232 5.96289 5.78475 4.5625 4 5.94641 5.49718 5.55741 5.91055 5.74271 5.87325 6.45568 6.367605 5.57449 5.51161 6.267805 6.46039 6.77711 5.30089 4 665523 665523 4.52244 4.45398 4.71947 4.396355 4.14001 4.4704 4.4312 4.29666 4.573385 4.263465 4.1875 4.14888 4.61023 4.38078 4.43896 4 4.55762 4.61472 4.276785 4.543855 4.700405 4.6671 4.530425 4.634265 4.69028 4.815785 5.021455 4.31396 4.46833 4.212265 4.57021 4.61871 4.54952 5.234925 4.781425 4.89393 4.38818 4.161305 4.49107 4.04793 4.78164 4.222435 4.3868 4.21215 4.07159 4.53218 4.411915 4.030235 5.35041 4.664085 4.666565 4.73814 4.48773 4.11774 4.21441 4.3754 5.53258 5.421895 5.042635 4.316585 665925 665925 5.37984 5.89316 5.139 5.73317 5.68765 5.67453 5.68099 5.76212 6.21977 5.7207 5.25474 5.48859 5.71462 5.28726 4.71759 5.26535 5.42991 5.49539 5.20277 5.61141 5.636245 5.90278 5.860965 6.09249 6.18401 6.10121 6.22353 5.43734 4.98317 5.48416 5.54594 5.59814 5.80593 6.24097 5.51142 5.697225 5.00392 5.07627 5.8703 5.48286 5.78435 5.7737 5.19841 5.13078 4.61429 4.98919 5.89104 4.98358 6.46995 5.63361 5.51566 5.71429 5.62874 5.35438 5.05316 5.338165 6.60894 6.5759 5.128425 4.901905 665929 665929 6.21254 4.15803 6.20916 6.76634 6.03167 6.34548 6.35269 6.49465 6.30604 6.32523 5.1616 6.31129 6.31197 6.07785 6.10332 6.03755 6.57541 6.35082 6.0681 5.97206 6.46646 6.02472 5.51939 6.39362 6.51668 6.32591 6.4276 6.39301 4 6.11536 6.13851 6.27261 6.41914 6.45924 6.39657 6.32672 6.093955 5.63298 4.895705 4 6.69704 6.64889 6.04286 5.26191 6.30308 6.02049 6.11565 5.72437 6.67574 6.5989 6.50355 6.42699 6.71746 6.36179 5.61111 6.37393 6.95147 7.15918 NA NA 666214 666214 5.32086 5.30224 5.27225 5.39642 4.76319 5.25894 5.28348 5.37139 5.53765 5.35502 5.02896 5.03324 5.4293 5.27645 4.916695 5.47225 5.13714 6.42014 5.162125 5.5469 5.70823 5.395835 5.06743 5.43908 5.43218 5.479 5.39832 5.43491 5.00642 5.29703 5.18843 5.25453 5.52597 5.57254 5.39338 5.68784 5.0144 5.20452 5.20288 5.67798 5.67132 5.33105 5.01018 5.12927 4.98119 5.35111 5.369195 5.06197 5.64558 5.53931 5.25563 5.50738 5.32847 5.3332 4.93561 5.750805 5.75791 5.94537 4.85694 5.34949 666217 6H-1 5.53433 5.42143 5.54188 6.27483 4.7643 5.74582 6.24567 6.23567 6.35951 5.7369 5.06959 5.62631 5.63036 5.25877 6.15489 6.17491 5.284945 6.048615 4.98019 6.40184 6.51999 6.626285 5.911 6.33214 6.343275 6.37938 6.31677 6.21941 4.625 5.61594 6.02267 5.48634 6.43928 6.3961 6.17238 6.471 5.91497 5.29065 6.12908 6.282475 6.54902 6.2397 5.20533 5.07898 6.12554 5.5848 5.025535 5.26606 6.384995 6.42216 6.26913 6.51331 5.922595 6.31112 5.54692 6.6464 6.71297 6.92978 5.36791 6.49081 666220 666220 5.27524 5.29153 5.18374 5.53352 5.09812 4.99832 5.39031 5.2413 5.60037 5.19002 4.79098 4.95496 5.3254 5.29093 5.47875 5.3424 5.52405 5.38831 5.158245 5.51203 5.5226 5.458115 5.32788 5.44583 5.44098 5.363065 5.32557 5.46591 4.999445 5.14018 5.13706 5.35433 5.46361 5.53216 5.39009 5.36807 4.98 4.96081 5.329535 5.34241 5.532295 5.35911 5.08131 5.07008 5.27709 5.42922 5.029715 4.72045 5.56893 5.50057 5.36701 5.5259 5.11931 4.95016 5.06115 5.706475 5.70674 5.754 5.49052 5.23379 666222 666222 4.74182 4.54118 4.71721 4.77151 4.43762 4.5613 4.56337 4.74802 4.85314 4.54993 4.43381 4.32159 4.48604 4.51776 4.782645 4.74499 4.48365 4.719245 4.50434 4.58184 4.78021 4.49306 4.81702 4.80806 4.5659 4.715345 4.60795 4.69934 4.541455 4.4927 4.53324 4.30173 4.67703 5.16272 4.76736 4.94494 4.799 4.47971 4.64941 4.64173 4.69131 4.49907 4.43935 4.58507 4.40961 4.65844 4.67538 4.39364 4.85889 4.71305 4.75051 4.78495 4.58664 4.5904 4.73547 4.849745 5.2255 5.19736 4.69776 4.86547 666225 666225 5.22027 4.952725 5.2557 5.37817 4 4.68961 5.2296 5.24908 5.43219 5.13224 4.50209 4.93741 5.22948 4.85726 5.04824 5.18031 5.524195 5.25784 4.856915 5.28102 5.43849 5.41347 5.257015 5.38802 5.29311 5.321655 5.31538 5.4634 4.801385 4.68686 5.11873 5.28072 5.42279 5.35884 5.36466 5.13346 4.70852 4.70673 5.189555 5.39078 5.2304 5.15669 5.03275 4.7255 5.07295 5.16126 5.322355 4.31869 5.5135 5.16752 5.30862 5.40789 5.191975 5.0525 4.78992 5.455185 5.66958 5.7293 5.1255 5.30228 666227 666227 5.69441 5.15632 5.73697 6.19804 4.89257 5.28448 5.68128 6.06784 5.57099 5.49005 5.18191 5.46991 5.60154 5.59575 5.37896 5.56553 5.608955 5.59191 5.33855 5.85916 5.81964 5.93502 5.64416 5.75924 5.87145 6.00736 6.07433 5.73297 4.8974 5.39892 5.58167 5.46569 5.87283 6.23473 5.50888 6.1272 5.40928 5.40275 5.501725 6.12354 5.839795 5.4105 5.29722 5.14168 5.51299 5.51099 5.811365 5.15856 5.805165 5.56873 6.29011 5.87269 5.829305 5.5733 5.41679 5.867895 6.60523 6.58615 5.3923 5.422595 666237 666237 5.28632 5.23409 5.551 5.4438 5.19856 5.45555 5.54019 5.44692 5.58286 5.39898 5.07402 5.26951 5.43821 5.46999 4.985285 5.47549 5.56291 5.494635 5.04467 5.78599 5.62483 5.51653 5.47563 5.44803 5.49452 5.43751 5.5342 5.74087 4.885215 5.30133 5.40107 5.55831 5.54484 5.57567 5.40541 5.49874 5.23311 5.23862 5.470735 5.60928 5.6676 5.45793 5.06342 5.07198 4.93346 5.46956 5.52029 5.2055 5.63283 5.48771 5.82787 5.52654 5.455885 5.4664 5.30277 5.67969 6.19996 6.09624 4.7241 5.374155 666569 11.beta.-hydroxy 4.46529 4.492995 4.47278 4.61076 4.39232 4.42798 4.59897 4.63133 4.72647 4.41499 4.65927 4.38713 4.38028 4.44668 4.054825 4.3824 4.339615 4.559035 4.487025 4.449805 4.55018 4.49544 4.69312 4.5103 4.46704 4.539465 4.52449 4.4546 4.28283 4.49342 4.36262 4.20429 4.63669 4.9662 4.59926 4.61584 4.34718 4.49006 4.506465 4.1004 4.4116 4.46528 4.17083 4.30337 4.13844 4.31228 4.29397 4.44976 5.036005 4.63871 4.41998 4.5725 4.3246 4.51414 4.40816 4.84327 5.06549 5.26789 4.2045 4.323935 666571 7.alpha.-Methyl-3 5.06931 4.96994 5.31868 5.26886 4.79462 4.88399 5.23958 5.29836 5.2778 4.94425 4.63492 4.70211 5.02939 4.87572 4.882945 4.96619 4.98739 5.39907 4.790765 5.16937 5.37175 4.79591 5.30885 5.27613 5.19291 5.2856 4.64774 5.17883 4.5727 4.77114 4.61235 4.70665 5.32651 5.40694 5.125755 5.25486 4.82919 4.72077 4.49821 4.98072 5.56384 5.04132 4.832075 4.68914 4.87195 4.49371 4.6518 4.476385 5.55362 5.2255 5.24888 5.41825 4.696745 5.13948 4.91677 5.49267 5.6624 5.71046 4.96114 5.01997 667047 667047 7.17411 7.62222 6.232225 7.40966 5.08731 7.02404 7.16945 7.56915 8 7.25275 4.96496 6.80673 7.3818 7.13191 NA 7.17581 7.38981 7.30113 7.05843 5.57938 7.48838 5.22419 6.08496 7.54765 7.20501 7.16115 5.83652 7.71592 4.86677 6.52531 5.77796 6.61864 7.49332 7.83713 7.22447 7.45432 6.52989 7.0961 6.835475 7.840455 6.93325 7.3026 7.225575 4.84538 7.69394 6.50348 4.93983 4.91186 7.74667 7.57923 6.54402 7.59797 5.53466 6.9489 6.62451 7.18464 8 8 5.7967 4.82921 667251 667251 6.3526 5.82469 6.50128 6.32001 5.134775 6.14605 6.62297 6.53798 6.59656 5.5 5.75299 6.303605 6.32698 6.31479 5.532215 6.17526 6.55022 6.31771 5.05698 6.22592 6.39069 6.69783 6.30606 6.40913 6.55447 6.659345 6.97035 6.62855 4.76844 5.98352 6.46774 6.1416 5.99179 7.09198 6.23721 6.72