_____________________________________________________________________________ Model of log10_of_Lit_vapor_pressure__torr_or_mm_Hg__divided by mw _____________________________________________________________________________ Analysis of variance ------------------------------------------------------------------ Variation source df SS MS Statistics ------------------------------------------------------------------ Total (uncorrected) 2317 178384.6468448 F=305.2853112 Mean 1 117041.439795 rsquare=0.9820515 Total (corrected) 2316 61343.2070498 s=0.7487315 Regression 352 60242.1909499 171.1425879 Residual 1964 1101.0160999 0.5605988 ------------------------------------------------------------------ Note: probability of significant F =<0.0001 Model coefficients and standard errors: parameter coefficient standard error t prob ------------------------------------------------------------------ intercept = 3.3447154 0.0706072 47.3707 <<0.00000001 Number of N atoms -1.6098175 0.0342447 47.0093 <<0.00000001 Number of C atoms -0.37859246 0.0160992 23.5163 <<0.00000001 Number of O atoms -1.3235137 0.0303655 43.5861 <<0.00000001 Number of Br atoms -1.7149075 0.123874 13.844 6.17552E-42 Number of Cl atoms -0.89704591 0.032847 27.3098 <<0.00000001 Number of S atoms -1.7679676 0.0834346 21.1899 <<0.00000001 Number of N+ atoms -3.7368498 0.376546 9.92403 9.24974E-23 Number of O- atoms -2.2176275 0.245479 9.03389 3.40264E-19 Number of S- atoms -4.9826298 0.320835 15.5302 <<0.00000001 Number of N- atoms -3.4402053 0.853621 4.03013 0.0000575446 Number of Cl- atoms-5.2322683 0.898501 5.82333 0.00000000657032 Number of I atoms -2.4879446 0.127432 19.5238 <<0.00000001 Number of Co++ atoms -13.48771 0.752053 17.9345 <<0.00000001 Number of Hg atoms -5.1862526 0.440386 11.7766 3.90741E-31 Number of consecutive carbons -0.17146967 0.0123099 13.9294 2.0557E-42 Number of C(=O)(OH)-C(H)(NH2) pairs -8.7035313 0.509428 17.0849 <<0.00000001 Number of C(=O)-O pairs 0.52068335 0.129826 4.01063 0.0000624749 Number of C(=O)!-N(H)! pairs -1.9651229 0.156097 12.5891 3.35185E-35 Number of C(H)*C(NO2)* pairs 0.42579234 0.0692929 6.14482 0.000000000939701 Number of C(H)!-C(H)(OH)! pairs -0.40918016 0.0851541 4.80517 0.00000164516 Number of C(H)-N+ pairs 6.1949396 0.476199 13.0091 2.1457E-37 Number of C*-O(CH3) pairs 0.78041083 0.0676606 11.5342 5.74507E-30 Number of C(H)(H)-O(NO2) pairs 1.6891314 0.190079 8.88649 1.23864E-18 Number of C(=O)-O(CH3) pairs 1.221119 0.0966844 12.6299 2.06396E-35 Number of C(=O)*N(H)* pairs -0.83758467 0.200226 4.1832 0.0000298143 Number of C(H)(H)-P(=O)(OH)(OH) pairs -9.6344566 0.90252 10.6751 5.30043E-26 Number of C(=O)(CH3)-O pairs 0.99384737 0.103069 9.64254 1.33781E-21 Number of N(H)-S(=O)(=O) pairs 1.1511726 0.466324 2.46861 0.0136356 Number of C(H)(H)-O pairs 0.25728846 0.0341212 7.54043 6.68316E-14 Number of C(H)(H)(CH3)-O pairs 0.51009655 0.0651932 7.82438 7.69143E-15 Number of C*C* pairs -0.22949959 0.0267508 8.57918 1.72069E-17 Number of C*-O pairs 0.34873807 0.0575679 6.05785 0.00000000160534 Number of C(=O)-N(H) pairs -1.1824394 0.077468 15.2636 <<0.00000001 Number of C(H)(H)-C(H)(OH) pairs -0.33015671 0.159921 2.0645 0.0390817 Number of C*-C(H)! pairs -1.7113351 0.234386 7.30134 3.89781E-13 Number of C*C(OH)* pairs -0.67607069 0.0798119 8.4708 4.26548E-17 Number of C(H)*C(OH)* pairs -0.92775172 0.11372 8.15819 5.51405E-16 Number of C(=O)(CH3)-N(H) pairs -1.449993 0.254675 5.69351 0.0000000140218 Number of C(H)(H)-C(H)(H)(OH) pairs -1.1035764 0.0825441 13.3695 2.51518E-39 Number of C*C(NO2)* pairs 1.6559423 0.209808 7.89266 4.5232E-15 Number of C(Cl)*C(NH2)* pairs -0.92620134 0.190889 4.85205 0.0000013032 Number of C(=O)*C(Cl)* pairs -4.6226068 0.973071 4.75053 0.00000215295 Number of C(H)(H)!-C(H)(OH)! pairs -0.63723624 0.0903501 7.05297 2.30317E-12 Number of C(H)(H)-O(CH3) pairs 0.90695298 0.176128 5.14941 0.000000283337 Number of C*-O! pairs 0.30413559 0.0962211 3.1608 0.00159369 Number of C(NH2)*N(H)* pairs -3.050091 0.446789 6.82668 1.10605E-11 Number of C(H)!-N(H)! pairs -1.0632141 0.245644 4.32827 0.0000156674 Number of C(H)(OH)!-C(H)(OH)! pairs -0.68754268 0.0802444 8.56811 1.88872E-17 Number of C(=O)(OH)-C(H)(NH2)(CH3) pairs -6.68401 0.750726 8.9034 1.06904E-18 Number of C(=O)-N(CH3) pairs 0.74283272 0.205111 3.62162 0.000299056 Number of C(=O)-C(H)(H)(OH) pairs -0.7113452 0.263851 2.69601 0.00706837 Number of C(H)(OH)!-N+(H)(H)! pairs -3.3500288 0.822814 4.07143 0.0000482938 Number of C(H)-C(H)(H)(OH) pairs -1.2049856 0.273877 4.39973 0.0000113294 Number of C(NH2)-N(H) pairs 2.4703529 0.335224 7.36927 2.3744E-13 Number of N(CH3)-S(=O)(=O) pairs 2.1272333 0.840453 2.53105 0.0114377 Number of C*-C(=O)(OH) pairs -0.55556875 0.127341 4.36283 0.0000134022 Number of C*C(F)* pairs 0.86455852 0.386688 2.23581 0.0254594 Number of C(H)*C(NH2)* pairs -0.30747071 0.053297 5.769 0.00000000904035 Number of C(=O)(OH)-C(H)(H)(NH2) pairs -7.0355225 0.533015 13.1995 2.07665E-38 Number of C(NH2)!-C(=O)(OH) pairs -7.0508232 0.531453 13.2671 8.99855E-39 Number of C(H)(NH2)-C(H)(CH3)(CH3) pairs -1.2675736 0.567684 2.23288 0.0256518 Number of C*-C(H)(NH2) pairs -3.0958624 0.754789 4.10163 0.0000424421 Number of C(NH2)!-N(H)! pairs -3.1038229 0.781797 3.97012 0.0000740268 Number of C!-N(H)! pairs -1.8413595 0.239723 7.6812 2.30917E-14 Number of C(H)!-C(=O)(OH) pairs -7.0399013 0.550078 12.798 2.76696E-36 Number of C(H)(H)-C(H)(H)(NO2) pairs 1.6446466 0.434957 3.78117 0.000160043 Number of N(=O)-O pairs 1.9681106 0.435818 4.5159 0.00000662105 Number of C(H)!-N+(CH3)(CH3)! pairs -2.3343916 0.388895 6.00263 0.00000000224737 Number of C(OH)!-C(=O)! pairs -2.4803009 0.402656 6.15985 0.000000000855976 Number of C(H)(OH)-C(H)(H)(OH) pairs -1.5089808 0.172716 8.7368 4.50982E-18 Number of C(H)=N(#N) pairs -6.2204013 0.809327 7.68589 2.22812E-14 Number of N!-Sn pairs -6.2050776 0.772567 8.03177 1.51384E-15 Number of C(=O)(NH2)-N pairs -3.0611019 0.379786 8.06007 1.20904E-15 Number of Cl- 9.6356926 1.60504 6.00339 0.00000000223701 Number of C*-C(CH3)(CH3)! pairs 1.3107291 0.508837 2.57593 0.0100585 Number of S-S(=O)(=O) pairs 3.5189538 0.438978 8.01624 1.71211E-15 Number of C*-C(=O)(NH2) pairs -1.2771391 0.313649 4.07187 0.0000482024 Number of C(=O)-N(H)(OH) pairs -3.4567025 0.534374 6.4687 0.000000000120209 Number of C=N pairs0.46336016 0.204651 2.26415 0.023657 Number of C(Cl)*C(Cl)* pairs -0.23588981 0.0717109 3.28946 0.00101885 Number of C(CH3)!-C(CH3)(CH3)! pairs -37.988346 6.16205 6.16488 0.000000000829627 Number of O--S(H)(=O)(=O) pairs -7.6678267 0.82329 9.31364 2.77889E-20 Number of C(OH)*C(Br)* pairs -1.6884304 0.339161 4.97826 0.000000688859 Number of C(Cl)*C(NO2)* pairs 2.8517163 0.583138 4.8903 0.00000107594 Number of C!=N pairs 1.5119547 0.238551 6.33809 0.000000000278716 Number of C(H)(=O)-O pairs 0.98422033 0.337848 2.91321 0.00361162 Number of C(=O)*N(CH3)* pairs 8.4159584 1.07267 7.84577 6.51583E-15 Number of C(=O)(NH2)-S pairs -2.4225399 0.377589 6.41581 0.000000000169303 Number of C(=O)(NH2)-O pairs 1.3973869 0.268107 5.21205 0.000000203296 Number of S(=O)(=O)(OH)(OH) -5.085865 0.756909 6.71926 2.29147E-11 Number of C(H)(H)-P pairs -0.96191812 0.231868 4.14856 0.0000346646 Number of O--As(=O)(OH)(CH3) pairs 9.3319759 0.669766 13.9332 1.95621E-42 Number of C(#N)-C(#N) pairs 2.8228676 0.751939 3.75412 0.000178235 Number of C(H)(H)!-C(Cl)(Cl)! pairs 6.835959 1.44678 4.72496 0.00000243949 Number of C(H)!-Sn(OH) pairs -1.819242 0.252367 7.20871 7.61113E-13 Number of C(H)(H)-N(H)(CH3) pairs -37.265129 7.03966 5.2936 0.000000131231 Number of O-P(=O)(OH) pairs 4.1061306 0.38987 10.5321 2.27972E-25 Number of C(=S)!-N(H)! pairs -3.667783 0.463499 7.91324 3.85126E-15 Number of H(H) 2.4442847 0.752053 3.25015 0.00116997 Number of C(H)!-O(NO2) pairs 2.1657519 0.342199 6.32893 0.000000000295466 Number of Pb atoms -3.6081712 0.539517 6.68778 2.83088E-11 Number of O(CH3)-P(=O)(NH2) pairs -3.5085559 0.753185 4.65829 0.00000336904 Number of C(=O)(OH)-C(NH2)(CH3) pairs -3.0941091 0.539439 5.73579 0.000000010973 Number of C(=O)=N pairs 1.377996 0.222686 6.18807 0.000000000718077 Number of O(CH3)(NO2) 2.7953458 0.753791 3.70839 0.000213487 Number of N(=O)-O(CH3) pairs 2.6490071 0.752024 3.52251 0.000435761 Number of C(NH2)-N(H)(NO2) pairs -5.6599703 0.761726 7.43045 1.51384E-13 Number of C(=O)(OH)-C(=O)(NH2) pairs -5.3475056 0.752827 7.10323 1.61507E-12 Number of C(=O)(NH2)-C(=O)(NH2) pairs -6.0447698 0.752747 8.03028 1.53179E-15 Number of B atoms -4.0534387 0.750923 5.39794 0.0000000742806 Number of S+ atoms 7.5670905 0.783651 9.6562 1.17703E-21 Number of C*-C(F)(CH3)(CH3) pairs 9.2656326 0.759395 12.2013 3.12863E-33 Number of C(H)(H)-C(H)(Br) pairs 4.5650496 0.317165 14.3933 4.2039E-45 Number of C(=O)(NH2)(NH2) -6.5115085 0.762633 8.53819 2.42853E-17 Number of N-S(=O)(=O) pairs 14.928397 3.41232 4.37485 0.0000126901 Number of C*C(H)* pairs -0.12854253 0.0190556 6.74565 1.91784E-11 Number of Na+ -6.5351958 0.507303 12.8822 1.00208E-36 Number of C(H)-C(=O)(NH2) pairs -2.1883259 0.530775 4.12289 0.0000387332 Number of C(H)!-O! pairs 0.45235169 0.0656546 6.88987 7.17047E-12 Number of C(=O)-N(H)(CH3) pairs -5.10987 0.849723 6.01357 0.00000000210296 Number of C(H)=N pairs 0.68596774 0.22404 3.06181 0.00222533 Number of C(Cl)!-C(Cl)! pairs 0.19969544 0.0653965 3.05361 0.00228678 Number of C*-C(H)(H)(OH) pairs -1.0198641 0.244209 4.1762 0.0000307394 Number of C(=O)-C(H)(OH) pairs -1.1125399 0.49234 2.2597 0.0239324 Number of C(H)(NH2)-C(H)(H)(OH) pairs -2.2708888 0.558885 4.06325 0.0000500056 Number of C(H)(H)-C(=O)(NH2) pairs -1.5780463 0.347211 4.54492 0.0000057783 Number of C(H)(OH)!-C(H)(CH3)! pairs -1.4021132 0.209563 6.69064 2.77716E-11 Number of C(=O)-C(H)(Cl)(Cl) pairs -0.79085547 0.350461 2.25661 0.0241251 Number of C(=O)(OH)-C(H)(CH3) pairs -0.62029731 0.226313 2.74089 0.0061744 Number of C*=N! pairs -21.94253 6.60477 3.32222 0.000906908 Number of C(Br)*C(NH2)* pairs -3.5833185 0.788086 4.54686 0.00000572565 Number of C(H)(H)-C(H)(OH)(CH3) pairs -0.7277956 0.15995 4.55013 0.00000563819 Number of C(=O)!-N(CH3)! pairs -1.6258488 0.440484 3.69105 0.000228485 Number of C(Cl)(Cl)(Cl)(NO2) 2.8821032 0.756069 3.81196 0.000141468 Number of C*-C(=S)(NH2) pairs -2.6606045 0.765735 3.47458 0.000521065 Number of C(OH)*C(NO2)* pairs 0.78602093 0.345757 2.27333 0.0230975 Number of C(#N)-N(H) pairs -4.2702794 0.819703 5.20954 0.000000206024 Number of C(=O)(OH)-N pairs -1.1623206 0.196475 5.91587 0.00000000379103 Number of C(F)(F)-C(H)(H) pairs 2.2020707 0.770721 2.85716 0.00431269 Number of C(OH)!-N(CH3)! pairs -4.2324319 0.762169 5.55314 0.0000000312669 Number of N-N pairs5.3480129 0.955618 5.59639 0.000000024469 Number of C(H)-C(OH)(CH3) pairs 4.0837049 1.67601 2.43657 0.0149023 Number of C=C! pairs 4.9894347 0.820014 6.08457 0.0000000013628 Number of C(H)(H)(H)(H) 1.66668 0.751295 2.21841 0.0266236 Number of C-C(H)(H)(OH) pairs -0.96257693 0.237755 4.04861 0.0000532155 Number of C(H)(=O)-N(H) pairs 1.3663644 0.426381 3.20456 0.00137109 Number of C*-Sn(OH) pairs -0.61299884 0.253988 2.4135 0.0158773 Number of C(NH2)-C(H)(H)(OH) pairs -0.93284035 0.250543 3.72328 0.000201346 Number of C-C(OH)! pairs -1.614462 0.326415 4.94604 0.000000811752 Number of C*C(CH3)* pairs -0.18935464 0.0725756 2.60907 0.00913732 Number of C*-O- pairs -4.4801645 0.943005 4.75094 0.00000214863 Number of C(H)!-C(H)(OH) pairs -0.84777117 0.25002 3.39081 0.000708548 Number of O-P(=S) pairs 0.33652553 0.0812419 4.14227 0.0000356225 Number of C(OH)*N* pairs -0.63868779 0.121774 5.24488 0.000000170574 Number of N(H)-O(CH3) pairs 3.3836994 0.783021 4.32134 0.0000161639 Number of C(Cl)!=N! pairs -1.1797246 0.561412 2.10135 0.0357178 Number of C(H)(=O)(NH2) -2.8607841 0.751206 3.80826 0.000143588 Number of S!-S! pairs 5.1320133 0.661933 7.75307 1.33293E-14 Number of C(=O)-C(H)(H)(NH2) pairs -2.5376465 0.759957 3.3392 0.000853515 Number of C(H)(OH)-C(=O)(OH) pairs -1.2753768 0.341116 3.73884 0.000189354 Number of C(=O)(OH)-C(=O)(OH) pairs -2.5970097 0.755478 3.43757 0.000597319 Number of N*N+* pairs -3.0094647 0.933421 3.22412 0.00128115 Number of C!-C(H)(H)(OH) pairs -1.1514603 0.406331 2.8338 0.00463963 Number of C(H)-C(F)(F)(F) pairs -0.9571861 0.282353 3.39003 0.000710566 Number of C(OH)!-C(OH)! pairs -3.6238241 0.600314 6.03654 0.00000000182853 Number of C!=C! pairs 1.6617322 0.547238 3.03658 0.00241944 Number of C(=O)(NH2)(CH3) -2.6394677 0.750556 3.51669 0.000445376 Number of C*-S(=O)(=O) pairs 0.71024549 0.248041 2.86342 0.00422865 Number of C(H)(NH2)-C(H)(OH)(CH3) pairs -1.8162664 0.558485 3.25213 0.00116189 Number of O-P(=O) pairs 1.8815781 0.421031 4.46897 0.00000823807 Number of C(H)(H)(OH)-C(Br)(CH3)(NO2) pairs -2.1549139 0.757484 2.84483 0.00448253 Number of N-- atoms-2.8505418 0.75134 3.79394 0.000152074 Number of C-C(H)(OH) pairs 2.7335877 0.558199 4.89716 0.00000103942 Number of O!-Si(CH3)(CH3)! pairs 0.39266419 0.0638577 6.14905 0.000000000915333 Number of C(H)(H)(OH)-C(H)(H)(OH) pairs -2.4609108 0.751138 3.27624 0.00106751 Number of C(H)(H)(OH)-N(H) pairs -1.9156114 0.753571 2.54205 0.0110852 Number of C(H)(OH)-C(H)(H)(Br) pairs -1.2169062 0.384041 3.16869 0.00155125 Number of C!-C(#N) pairs -1.4313502 0.410639 3.48566 0.000500051 Number of C(H)!=N! pairs -0.3797684 0.0979477 3.87726 0.000108581 Number of C*-N(CH3)(CH3) pairs 1.0231905 0.14887 6.87304 8.05074E-12 Number of C(H)(H)=C(H)(Cl) pairs -2.751287 0.750613 3.66539 0.000252517 Number of C*=N+(CH3)(CH3) pairs -4.7975206 0.719906 6.6641 3.31701E-11 Number of C*C-* pairs 4.5844588 1.0469 4.37908 0.0000124481 Number of C(H)(H)!-N+! pairs -1.5467397 0.422126 3.66416 0.000253722 Number of C*S* pairs 2.1515837 0.478834 4.49338 0.00000735491 Number of C#C pairs-1.2491498 0.435854 2.86598 0.00419471 Number of C(H)(H)-N+(CH3)(CH3) pairs -1.7985535 0.392267 4.58502 0.00000478109 Number of C(=S)-N(H)(CH3) pairs -4.7984605 0.813973 5.89511 0.0000000042917 Number of C*C(Cl)* pairs -0.31206229 0.0799995 3.9008 0.0000986046 Number of C!-S! pairs -0.64918286 0.146815 4.42179 0.000010241 Number of As(=O)(OH)(CH3)(CH3) -4.7602072 0.788963 6.0335 0.00000000186278 Number of N(H)-N(CH3)(CH3) pairs 2.3148408 0.763688 3.03114 0.00246334 Number of C(=S)!-N(CH3)! pairs -3.5415425 0.757013 4.67831 0.00000305914 Number of C(NO2)!-S! pairs 1.3272911 0.459464 2.88878 0.0039033 Number of C!-O pairs 0.70218027 0.196505 3.57335 0.000359646 Number of O-S(=O)(=O)(CH3) pairs 1.0237393 0.264735 3.86704 0.000113201 Number of C(H)-O(NO2) pairs 2.4966691 0.824245 3.02904 0.00248044 Number of N(H)!-S(=O)(=O)! pairs 1.4802413 0.488189 3.03211 0.00245547 Number of C(H)*C(H)* pairs -0.096747875 0.0139223 6.94914 4.7592E-12 Number of N atoms crossed with Number of C atoms 0.015521209 0.00248341 6.24996 0.0000000004872 Number of N atoms crossed with Number of O atoms 0.10711272 0.00842381 12.7155 7.44347E-36 Number of N atoms crossed with Number of Cl atoms 0.060947713 0.0188767 3.22872 0.00126082 Number of N atoms crossed with Number of S atoms 0.19417061 0.00955986 20.311 <<0.00000001 Number of N atoms crossed with Number of O- atoms 0.52831984 0.169416 3.11847 0.00184025 Number of N atoms crossed with Number of C(=O)!-N(H)! pairs 0.33939055 0.0724353 4.68543 0.0000029556 Number of N atoms crossed with Number of C(H)(H)-P(=O)(OH)(OH) pairs -1.9824206 0.97872 2.02552 0.0429281 Number of N atoms crossed with Number of C(H)(H)-C(H)(OH) pairs -0.3101548 0.116882 2.65358 0.00801882 Number of N atoms crossed with Number of C(H)(H)-N pairs 0.24430485 0.0383777 6.36579 0.000000000233484 Number of N atoms crossed with Number of C(H)!-C(H)(H)(OH) pairs -0.82621551 0.0700297 11.7981 3.07217E-31 Number of N atoms crossed with Number of S-S pairs 0.57575494 0.248587 2.31611 0.0206393 Number of N atoms crossed with Number of C*C(F)* pairs -0.31708336 0.118725 2.67073 0.00762163 Number of N atoms crossed with Number of C(H)!-C(=O)(OH) pairs -2.0280738 0.292439 6.93503 5.24865E-12 Number of N atoms crossed with Number of C(Cl)*C(NO2)* pairs -0.77335632 0.200114 3.86458 0.000114341 Number of N atoms crossed with Number of N(CH3)(CH3)-S(=O)(=O) pairs 0.81177855 0.266022 3.05155 0.00230247 Number of N atoms crossed with Number of C(H)(H)-N(H)(CH3) pairs 9.3532429 2.47357 3.78127 0.000159979 Number of N atoms crossed with Number of N-S(=O)(=O) pairs -7.8083386 1.40386 5.56206 0.0000000297301 Number of N atoms crossed with Number of Na+ 3.2183146 0.4036 7.97403 2.38959E-15 Number of N atoms crossed with Number of C!-C(=O)(OH) pairs -0.93176144 0.102514 9.08915 2.08589E-19 Number of N atoms crossed with Number of C*-S(=O)(=O) pairs -0.7737096 0.104509 7.40328 1.84962E-13 Number of N atoms crossed with Number of O-P(=O) pairs -0.83621973 0.184121 4.54168 0.00000586689 Number of N atoms crossed with Number of C(H)!-C(=O)! pairs -0.34218955 0.0713188 4.79803 0.00000170432 Number of N atoms crossed with Number of O-S(=O)(=O) pairs 0.81315905 0.200313 4.05944 0.0000508222 Number of C atoms crossed with Number of C atoms 0.001822178 0.000451429 4.03647 0.000056024 Number of C atoms crossed with Number of Br atoms 0.048729748 0.0121778 4.00154 0.0000649083 Number of C atoms crossed with Number of S atoms 0.027633408 0.00865891 3.19133 0.00143516 Number of C atoms crossed with Number of Cl- atoms -0.20223358 0.0741399 2.72773 0.00642532 Number of C atoms crossed with Number of C(=O)*N(H)* pairs -0.11886676 0.0305676 3.88865 0.000103642 Number of C atoms crossed with Number of C*-C(H)! pairs 0.13483469 0.0137051 9.83827 2.1028E-22 Number of C atoms crossed with Number of C(H)(H)-C(=O)(OH) pairs -0.23015611 0.0262028 8.78366 3.01587E-18 Number of C atoms crossed with Number of C(H)(H)-N+(CH3)(CH3)(CH3) pairs -0.66953611 0.0663396 10.0926 1.80766E-23 Number of C atoms crossed with Number of C(H)!-C(=O)(OH) pairs 0.50194532 0.0684184 7.33641 3.01942E-13 Number of C atoms crossed with Number of C(=O)*N(CH3)* pairs -0.74902892 0.118385 6.32703 0.000000000299056 Number of C atoms crossed with Number of C(H)(H)-N(H)(CH3) pairs 1.0821128 0.154908 6.98551 3.69516E-12 Number of C atoms crossed with Number of C(=S)!-N(H)! pairs 0.27511033 0.0707899 3.88629 0.000104645 Number of C atoms crossed with Number of Na+ -0.28056103 0.0827636 3.38991 0.000710875 Number of C atoms crossed with Number of C(=O)-N(H)(CH3) pairs 0.32482743 0.0734946 4.41975 0.0000103374 Number of C atoms crossed with Number of C*=N! pairs 1.6443548 0.511164 3.21688 0.00131378 Number of C atoms crossed with Number of C!-C(H)(H)(NH2) pairs -4.0558071 1.2114 3.34803 0.0008269 Number of C atoms crossed with Number of C(H)-C(OH)(CH3) pairs -0.41675171 0.106109 3.92758 0.0000883124 Number of C atoms crossed with Number of C(H)(H)!-C(OH)(CH3)! pairs -0.057560142 0.0120111 4.79225 0.0000017537 Number of C atoms crossed with Number of C*S* pairs -0.11674275 0.02521 4.6308 0.00000384409 Number of O atoms crossed with Number of As atoms -2.0847383 0.126338 16.5012 <<0.00000001 Number of O atoms crossed with Number of consecutive carbons 0.0067510381 0.00262536 2.57147 0.0101886 Number of O atoms crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 1.6659549 0.180586 9.22527 6.17706E-20 Number of O atoms crossed with Number of C(=O)-O pairs 0.080074787 0.0298478 2.68277 0.00735341 Number of O atoms crossed with Number of C(H)(H)-P(=O)(OH)(OH) pairs 1.132919 0.180228 6.28604 0.000000000387953 Number of O atoms crossed with Number of C*-C(H)! pairs -0.15383367 0.0314092 4.89772 0.00000103648 Number of O atoms crossed with Number of C(H)(H)-N(H)(CH3) pairs 9.333622 2.06504 4.51982 0.00000650069 Number of O atoms crossed with Number of C(=O)-N(H)(CH3) pairs 0.59275109 0.176609 3.35629 0.000802726 Number of O atoms crossed with Number of C(F)(F)-O pairs 1.5367782 0.251474 6.11107 0.00000000115772 Number of O atoms crossed with Number of C(H)(H)!-N(H)! pairs -0.20948276 0.0498639 4.20109 0.0000275692 Number of Br atoms crossed with Number of C*C* pairs 0.60577214 0.21304 2.84346 0.00450175 Number of Br atoms crossed with Number of C(H)(H)-C(H)(OH) pairs 7.6873283 0.895002 8.58917 1.58168E-17 Number of Cl atoms crossed with Number of C(=O)*C(Cl)* pairs 3.9553049 0.585017 6.76101 1.72871E-11 Number of Cl atoms crossed with Number of consecutive carbons Squared 0.0013712669 0.000414522 3.30807 0.000953785 Number of Cl atoms crossed with Number of C(=O)-N(H)(CH3) pairs 2.2671902 0.456553 4.96588 0.000000733774 Number of S atoms crossed with Number of C(H)*C(NO2)* pairs -0.72820586 0.174723 4.16777 0.0000318895 Number of S atoms crossed with Number of C(H)!-C(H)(OH)! pairs -1.493503 0.182498 8.18369 4.48996E-16 Number of S atoms crossed with Number of N!-N! pairs 0.53201354 0.104812 5.07586 0.000000416438 Number of S atoms crossed with Number of C*-C(H)(NH2) pairs 3.291774 0.86276 3.8154 0.000139523 Number of S atoms crossed with Number of C!-N(H)! pairs -1.6762038 0.490554 3.41696 0.000644181 Number of S atoms crossed with Number of C(H)!-C(=O)(OH) pairs 3.4075553 0.594939 5.72757 0.0000000115099 Number of S atoms crossed with Number of O-P(=O) pairs -0.57973576 0.191469 3.02784 0.00249029 Number of N+ atoms crossed with Number of consecutive carbons 0.19687504 0.041061 4.7947 0.00000173258 Number of N+ atoms crossed with Number of C*-C(=O)(OH) pairs 1.7737598 0.789187 2.24758 0.0246968 Number of O- atoms crossed with Number of C(=O)-O pairs 3.652158 0.609834 5.98878 0.00000000244421 Number of O- atoms crossed with Number of C(H)(H)-O pairs 2.6019115 0.415345 6.26446 0.000000000444635 Number of consecutive carbons crossed with Number of C!-O! pairs 0.062447324 0.0100397 6.22005 0.000000000587918 Number of consecutive carbons crossed with Number of C(H)*C(OH)* pairs 0.041053027 0.010815 3.79592 0.000150876 Number of consecutive carbons crossed with Number of C(H)!-N(H)! pairs 0.14612962 0.0311731 4.68768 0.00000292365 Number of consecutive carbons crossed with Number of C(H)(H)!-O! pairs 0.042330638 0.00689932 6.13548 0.000000000995657 Number of consecutive carbons crossed with Number of C(CH3)!-C(CH3)(CH3)! pairs 4.7961178 0.745308 6.43508 0.000000000149483 Number of consecutive carbons crossed with Number of O(CH3)-P(=S) pairs 0.14667578 0.0159157 9.2158 6.7267E-20 Number of consecutive carbons crossed with Number of C(=O)!-N(CH3)! pairs 0.16229896 0.0572924 2.83282 0.00465384 Number of consecutive carbons crossed with Number of C!-C(H)(H)(NH2) pairs 3.9000881 1.30483 2.98897 0.00282865 Number of consecutive carbons crossed with Number of C!=C! pairs -0.10187336 0.0507433 2.00762 0.0447993 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of C(H)*C(OH)* pairs -1.0028685 0.261704 3.83208 0.000130447 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of C(H)!-N(H)! pairs 2.0239465 0.53774 3.7638 0.000171509 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of C*C(H)* pairs 0.53263545 0.138661 3.84128 0.000125683 Number of C(=O)-O pairs crossed with Number of C!-O! pairs 1.244627 0.396422 3.13965 0.00171282 Number of C(=O)-O pairs crossed with Number of C(H)(H)-O pairs 0.13702194 0.0460013 2.97865 0.00292524 Number of C(=O)-O pairs crossed with Number of C(=O)-N(H) pairs 0.39282614 0.123791 3.17329 0.00152696 Number of C(=O)-O pairs crossed with Number of C(H)(H)!-C(H)(OH)! pairs -0.54183769 0.199787 2.71207 0.00673584 Number of C(=O)-O pairs crossed with Number of C*C(F)* pairs -1.9702369 0.502825 3.91833 0.0000917469 Number of C(=O)-O pairs crossed with Number of C=N pairs 1.6134779 0.590685 2.73154 0.00635181 Number of C(=O)-O pairs crossed with Number of C(=O)!-N(CH3)! pairs -1.9135103 0.811763 2.35723 0.0184947 Number of C(=O)-O pairs crossed with Number of O-P(=O) pairs 1.5947812 0.805991 1.97866 0.0479729 Number of C(=O)!-N(H)! pairs crossed with Number of C!-N(H)! pairs 1.1936592 0.240002 4.97353 0.000000705693 Number of C(=O)!-N(H)! pairs crossed with Number of C(H)!=N! pairs -6.9767342 1.24264 5.61444 0.0000000220788 Number of C(H)*C(NO2)* pairs crossed with Number of C(=O)(CH3)-O pairs 0.78222936 0.260399 3.00397 0.0026934 Number of C(H)*C(NO2)* pairs crossed with Number of C(H)*C(NH2)* pairs -0.26562411 0.120192 2.21001 0.0272023 Number of C(H)!-C(H)(OH)! pairs crossed with Number of C(H)!-C(=O)(OH) pairs 3.4993505 0.639353 5.47327 0.0000000489441 Number of C*-O(CH3) pairs crossed with Number of N(H)-S(=O)(=O) pairs 1.154829 0.264252 4.37017 0.0000129626 Number of C*-O(CH3) pairs crossed with Number of C*-C(H)! pairs -0.71125877 0.114634 6.20459 0.00000000064766 Number of C(=O)*N(H)* pairs crossed with Number of C*-N(H)! pairs 1.7432634 0.592724 2.94111 0.00330286 Number of N(H)-S(=O)(=O) pairs crossed with Number of C*-S(=O)(=O) pairs 1.8355467 0.473024 3.88045 0.000107174 Number of C!-O! pairs crossed with Number of C!-N(H)! pairs -2.8501174 0.793764 3.59064 0.000336731 Number of C!-O! pairs crossed with Number of C(H)!-C(=O)(OH) pairs -8.6533184 1.30944 6.6084 4.80516E-11 Number of C!-O! pairs crossed with Number of C*C(H)* pairs -0.10979158 0.0386163 2.84314 0.00450624 Number of C!-O! pairs crossed with Number of C(=O)-C(H)(Cl)(Cl) pairs -2.0697629 0.835017 2.47871 0.0132567 Number of C(H)(H)(CH3)-O pairs crossed with Number of C(=O)(CH3)-N(H) pairs -2.0202093 0.7946 2.54242 0.0110733 Number of C*C* pairs crossed with Number of C*-C(H)! pairs 0.18694407 0.0766319 2.43951 0.0147819 Number of C*C* pairs crossed with Number of C*C(F)* pairs -0.876706 0.203796 4.30189 0.0000176381 Number of C*C* pairs crossed with Number of C*-C(CH3)(CH3) pairs -4.371345 0.773326 5.65265 0.0000000177417 Number of C*C* pairs crossed with Number of C(H)!-C(=O)! pairs 0.21894953 0.0863718 2.53497 0.0113112 Number of C*-O pairs crossed with Number of C*-C(H)! pairs -1.0686724 0.265967 4.01807 0.0000605486 Number of C*-O pairs crossed with Number of C(H)(H)-C(H)(H) pairs -0.34027576 0.103399 3.29089 0.00101369 Number of C*-O pairs crossed with Number of C(=O)-N(H)(CH3) pairs -0.799357 0.394656 2.02545 0.0429355 Number of C*-O pairs crossed with Number of O-P(=S) pairs 0.22829229 0.102775 2.22128 0.0264286 Number of C*-O pairs crossed with Number of C!-C(H)(H)! pairs -1.2463943 0.404639 3.08026 0.00209249 Number of C*-O pairs crossed with Number of O-P(=O) pairs 0.69415987 0.0891088 7.79002 1.00302E-14 Number of C*-O pairs crossed with Number of N-S pairs 1.4090081 0.497711 2.83098 0.00468064 Number of C*-O pairs crossed with Number of C(H)-C(H)(OH) pairs 2.6746376 0.568024 4.70867 0.00000264068 Number of C(=O)-N(H) pairs crossed with Number of C*-C(H)! pairs 1.6896724 0.77246 2.18739 0.0288137 Number of C(=O)-N(H) pairs crossed with Number of C*C(OH)* pairs -0.51860654 0.215443 2.40717 0.0161547 Number of C*-C(H)! pairs crossed with Number of C(H)(H)!-C(H)(OH)! pairs -1.5764731 0.570222 2.76467 0.00574326 Number of C*C(OH)* pairs crossed with Number of C(H)*C(OH)* pairs 0.16168921 0.0471905 3.42631 0.000622511 Number of C(H)*C(OH)* pairs crossed with Number of C(OH)*C(NO2)* pairs 1.4560993 0.616153 2.36321 0.0181996 Number of N!-N! pairs crossed with Number of C*C(F)* pairs -1.7752756 0.594829 2.98451 0.00287002 Number of N!-N! pairs crossed with Number of consecutive carbons Squared 0.011205718 0.00198107 5.6564 0.0000000173642 Number of C(H)(H)-C(=O)(OH) pairs crossed with Number of C(Cl)*C(NH2)* pairs -1.1344227 0.427784 2.65186 0.00805957 Number of C(H)(H)-C(=O)(OH) pairs crossed with Number of C(H)(H)-C(H)(H)(NH2) pairs -6.170198 0.441354 13.9802 1.06499E-42 Number of C(H)(H)-C(=O)(OH) pairs crossed with Number of consecutive carbons Squared 0.010772456 0.0015668 6.87545 7.91844E-12 Number of C(H)(H)-C(=O)(OH) pairs crossed with Number of C*C(H)* pairs 0.31396762 0.0728847 4.30773 0.0000171822 Number of C(H)(H)-N pairs crossed with Number of O-P(=O) pairs 1.3630257 0.42106 3.23713 0.00122444 Number of C(H)(H)-N pairs crossed with Number of C(H)!-C(H)(H)! pairs 1.054046 0.271231 3.88616 0.000104704 Number of C*C(NO2)* pairs crossed with Number of C*C(H)* pairs -0.3194789 0.077535 4.12045 0.0000391428 Number of C*C(NO2)* pairs crossed with Number of O-P(=S) pairs 1.0172327 0.395978 2.56891 0.010264 Number of C(H)(H)!-C(H)(OH)! pairs crossed with Number of C(H)!-N(H)! pairs 1.0993521 0.394451 2.78704 0.00536252 Number of C(H)(H)-O(CH3) pairs crossed with Number of C(H)(H)-C(H)(H) pairs -0.37234655 0.132844 2.80289 0.00510684 Number of C(H)!-N(H)! pairs crossed with Number of C!-N(H)! pairs 1.4291098 0.505034 2.82973 0.00469884 Number of C(H)!-N(H)! pairs crossed with Number of C!-C(#N) pairs -1.2806671 0.379196 3.37732 0.000744043 Number of C(H)!-N(H)! pairs crossed with Number of C*-N(H)! pairs -0.91463006 0.243754 3.75226 0.000179552 Number of C(H)!-C(H)(H)(OH) pairs crossed with Number of C(H)*C(H)* pairs -0.60443568 0.175141 3.45113 0.000568245 Number of C(=O)-C(H)(H)(OH) pairs crossed with Number of C(H)!-C(=O)! pairs -0.45177963 0.183539 2.46149 0.0139084 Number of C*-C(=O)(OH) pairs crossed with Number of C!-N(H)! pairs -1.1177611 0.513034 2.17873 0.0294525 Number of C*C(F)* pairs crossed with Number of C!=C! pairs 3.9053423 0.819283 4.76678 0.00000198801 Number of C(H)*C(NH2)* pairs crossed with Number of C(H)!-O! pairs 0.52800155 0.250361 2.10896 0.0350548 Number of C(H)*C(NH2)* pairs crossed with Number of C*-S(=O)(=O) pairs 0.20773876 0.105866 1.96227 0.0498505 Number of C(H)(H)!-O! pairs crossed with Number of C(Cl)*C(Cl)* pairs -0.71474177 0.257612 2.77449 0.00557324 Number of C(OH)*C(Br)* pairs crossed with Number of C(H)*C(H)* pairs 0.62982059 0.274023 2.29843 0.0216263 Number of C*C(H)* pairs crossed with Number of C*-C(=O) pairs 0.15182658 0.019379 7.8346 7.10558E-15 Number of C*C(H)* pairs crossed with Number of C(H)-O pairs 0.17436901 0.0356897 4.88569 0.00000110111 Number of C*C(H)* pairs crossed with Number of C!-C(H)(H)! pairs -0.14789149 0.0288757 5.12165 0.000000327854 Number of C*C(H)* pairs crossed with Number of C*C(Cl)* pairs 0.12355272 0.0346191 3.56892 0.000365745 Number of C(H)(H)-C(H)(H) pairs crossed with Number of Na+ -0.57979256 0.125984 4.60211 0.00000440826 Number of C(H)(H)-C(H)(H) pairs crossed with Number of C*C(Cl)* pairs 0.53274453 0.180682 2.94852 0.00322496 Number of C*-C(CH3)(CH3) pairs crossed with Number of C*-C(CH3)(CH3) pairs 0.15220152 0.0351701 4.32758 0.0000157162 Number of C(OH)!-C(H)(CH3)! pairs crossed with Number of C!-C(H)(H)! pairs -1.5920815 0.333987 4.7669 0.00000198683 Number of C*C(CH3)* pairs crossed with Number of C!-S! pairs -1.8247432 0.770782 2.36739 0.0179958 Number of O-P(=O) pairs crossed with Number of O-P(=O) pairs -0.59734201 0.149353 3.99953 0.000065457 Number of O-P(=O) pairs crossed with Number of C!-S! pairs 0.55561441 0.264879 2.09762 0.0360472 ------------------------------------------------------------------ note: response variable: log10_of_Lit_vapor_pressure__torr_or_mm_Hg__divided by mw Printout of response values, predicted values and residuals: observed predicted residual AC 303630 -9.7433395 -9.7659826 0.022642849 acebutolol -14.399753 -14.451075 0.051322024 acenaphthene -4.855628 -4.5832968 -0.27233109 acenaphthylene -4.3575749 -3.6482697 -0.70930541 acenocoumarol -16.0933 -15.234546 -0.85875374 acetal -0.63158131 -0.80401033 0.17242904 acetaldehyde 1.3112646 0.94186831 0.36939636 acetaldoxime -0.88426745 -0.52979404 -0.35447338 acetamide -3.1692619 -3.1692619 3.0642155E-13 acetaminophen -7.3343153 -7.6971011 0.36278567 acetanilide -5.8297954 -5.3518348 -0.47796023 acetanisole -4.3676767 -3.7530434 -0.61463326 acetazolamide -10.735072 -10.720063 -0.015008588 acetic acid -0.58260339 -0.36814332 -0.21446006 acetic anhydride -1.3013812 -0.42577896 -0.8756023 acetoacetanilide -6.5282717 -6.9207201 0.39244831 acetoacetic acid -2.670495 -3.4641719 0.79367703 acetochlor -6.9837899 -7.1650352 0.18124501 acetohexamide -11.98084 -12.159182 0.17834219 acetol -1.3998432 -0.89559245 -0.50425071 acetone 0.60149974 0.40766811 0.19383162 acetone cyanohydrin -2.3971689 -1.398789 -0.99837971 acetonitrile 0.33510882 0.67310488 -0.33799604 acetophenazine -16.153498 -15.763268 -0.39022925 acetophenone -2.4808919 -2.8527441 0.37185222 acetyl bromide -0.0033430925 -0.67557973 0.67223662 acetyl chloride 0.56308001 0.050307494 0.5127725 acetylcholine bromide -8.9546232 -8.9578247 0.003200962 acetylene 3.1467373 2.2518799 0.89485735 2-acetylpyridine -2.5103712 -3.5055315 0.99516028 3-acetylpyridine -2.5103712 -3.3726077 0.86223632 4-acetylpyridine -2.5103712 -3.2078891 0.69751769 4-acetylpyridine -1.3930469 -3.2078891 1.8148422 2-acetylthiophene -2.5386379 -3.4244163 0.88577831 acetyltributyl citrate -7.9615788 -8.4948072 0.53322828 acibenzolar-S-methyl -7.8042297 -7.7240639 -0.080165684 Acid Orange 3 -19.689795 -19.24976 -0.440036 acifluorfen sodium -10.59489 -10.088229 -0.50666094 acitretin -10.386649 -10.108347 -0.27830151 aclonifen -9.3434772 -9.3577795 0.014302192 ACN, quinoclamine -8.6640015 -8.7953777 0.13137636 aconitine -22.670145 -22.64336 -0.026784793 acrinathrin -12.21501 -12.290978 0.075969443 acrolein 0.68910372 0.40766811 0.28143564 acronycine -10.210305 -10.683936 0.47363067 acrylamide -4.0066094 -3.236799 -0.76981038 acrylic acid -1.258893 -0.89559245 -0.36330053 acrylonitrile 0.30866674 0.14767483 0.16099191 acryloyl chloride 0.011847086 -0.47703636 0.48888347 acyclovir -16.479233 -15.850021 -0.62921178 adenine -12.481382 -8.8268824 -3.6545007 adenosine -16.581781 -16.518192 -0.06358923 adipic acid -8.6623182 -7.0083451 -1.6539733 adiponitrile -5.2020893 -2.9234393 -2.2786498 ajmaline -11.651031 -12.260176 0.60914427 B-Alanine -9.2456694 -9.0083351 -0.23733433 L-Alanine -8.9286308 -8.9286308 1.5099033E-13 alantolactone -6.8663602 -5.8565006 -1.0098594 alanycarb -10.057441 -9.297307 -0.7601335 alclofenac -7.0289912 -7.3070068 0.27801561 aldicarb -6.7389879 -6.5388975 -0.20009045 aldosterone -14.459894 -15.383545 0.9236505 aldoxycarb -6.3925896 -7.3578143 0.96522474 aldrin -6.4829378 -6.7956762 0.31273833 alfentanil -13.964464 -14.349414 0.38494998 alizarin -11.438057 -11.014013 -0.42404351 allantoin -10.563471 -11.281447 0.71797657 allene 2.1320872 1.7109287 0.42115843 allethrin -8.4013767 -7.7613173 -0.64005929 allobarbital -12.784454 -12.69995 -0.08450418 L-4-allohydroxyproline -10.935832 -10.935832 2.220446E-13 allopurinol -7.4590101 -7.322731 -0.13627894 alloxan -11.822067 -11.358721 -0.46334615 allyl acetate -0.56590325 -0.37248671 -0.19341655 allyl alcohol -0.34734774 -0.79731745 0.44996971 allylamine 0.62725449 0.14767483 0.47957966 allylbenzene -1.8446014 -2.1023238 0.25772238 allyl bromide 0.050864819 0.14221042 -0.091345601 allyl chloride 0.68210691 0.82622421 -0.14411731 allyl cyanide -0.55944741 -0.37411085 -0.18533657 allyl disulfide -2.1651077 -2.5799839 0.41487628 allyl ether -0.24131568 -0.16433354 -0.076982133 allyl ethyl ether 0.24956003 0.44702306 -0.19746302 allyl isothiocyanate -1.4280604 -1.4215996 -0.0064608362 allyl methacrylate -1.3396896 -1.4198995 0.080209851 allylprodine -7.5134706 -7.9372907 0.42382017 allyl sulfide -1.0929161 -0.97781694 -0.11509921 aloin -22.898922 -23.283123 0.38420165 alovudine -13.803424 -13.127914 -0.6755091 alphaprodine -5.776722 -7.0191212 1.2423993 alprazolam -10.272104 -10.785156 0.51305145 alprenolol -8.4953146 -8.6071157 0.11180159 altretamine -5.8529472 -5.8376784 -0.015268987 amantadine -3.0590804 -3.2568238 0.19774328 Amaranth -27.016422 -27.848354 0.83193237 ambazone -9.3624001 -9.4207764 0.058376312 ametryn -7.9188695 -8.328476 0.40960655 amidithion -8.0020504 -8.6937056 0.6916551 amidosulfuron -9.3511124 -9.3511124 -2.8421709E-14 amifloxacin -15.199884 -14.318056 -0.88182902 amikacin -31.833584 -31.745531 -0.088053629 aminacrine -7.9380369 -7.8678842 -0.070152946 aminitrozole -8.0027065 -8.2274599 0.22475377 p-aminoacetanilide -7.0494699 -7.1518154 0.10234569 a-Aminoacetic acid -8.7682152 -8.7682152 1.2434498E-13 aminoacetonitrile -0.84885907 -0.90567023 0.05681115 3'-aminoacetophenone -4.1356287 -4.6527247 0.51709604 4'-aminoacetophenone -4.1356287 -4.6527247 0.51709604 2-aminoacridine -7.9380369 -8.5464153 0.60837775 3-aminoacridine -7.9380369 -8.5464153 0.60837775 4-aminoacridine -7.9380369 -8.2071495 0.26911241 9-aminoacridine -7.9380369 -7.8678842 -0.070152946 1-aminoanthraquinone -10.649742 -9.2711372 -1.3786049 1-aminoanthraquinone-2-carbo-11.632377 -12.249496 0.61712068 p-aminoazobenzene -8.1488247 -7.945106 -0.20371842 2-aminobenzoic acid -4.6930766 -5.537715 0.84463793 3-aminobenzoic acid -5.6930766 -5.8769803 0.18390328 p-aminobenzoic acid (PABA) -5.6930766 -5.8769803 0.18390328 2-aminobenzonitrile -4.1244259 -4.1450276 0.020601673 3-aminobenzonitrile -4.1244259 -4.484293 0.35986704 4-aminobenzonitrile -4.1244259 -4.484293 0.35986704 g-aminobutyric acid (GABA) -9.71665 -9.6713676 -0.04528242 6-aminocaproic acid -10.639248 -10.921865 0.28261673 aminocarb -8.0141287 -6.4649391 -1.5491894 2-amino-6-chloro-4-nitrophen-7.450007 -6.8427043 -0.60730225 1-Aminocyclopropane-1-carbox-9.9219561 -9.8037271 -0.11822864 aminocyclopyrachlor -9.761405 -10.086989 0.32558402 Amino-d-guanidinovaleric aci-11.100516 -11.859243 0.75872678 2-Aminoethanesulfonic acid -5.861856 -4.4541221 -1.4077339 aminoethyl ethanolamine -4.104352 -3.7782669 -0.32608506 aminoethylpiperazine -3.2304304 -3.754251 0.52382052 aminofuracarb -9.2804127 -9.7116098 0.43119675 a-Aminoglutaric acid -9.9342403 -9.8351631 -0.099077374 p-aminohippuric acid -9.7428856 -10.101583 0.35869643 a-Amino-B-hydroxybutyric aci-9.4642344 -9.4642344 -1.2079227E-13 a-Amino-B-hydroxyphenylpropi-12.15773 -12.608562 0.45083061 a-Amino-B-hydroxypropionic a-9.4173241 -9.4173241 -2.3803182E-13 a-Amino-B-3-Indolepropionic -10.983743 -10.851519 -0.13222356 a-Aminoisocaproic acid -9.9907103 -8.9721918 -1.0185176 a-Aminoisovaleric acid -9.941596 -9.7387705 -0.20282479 4-aminomethylbenzoic acid -5.7578096 -5.8548622 0.09705282 aminomethyl propanediol -4.2061453 -2.5949368 -1.6112084 2-amino-2-methyl-1-propanol -1.9500244 -1.5635077 -0.38651672 3-amino-2-naphthoic acid -8.1019993 -8.076375 -0.0256238 2-amino-5-nitrothiazole -5.2907643 -4.5599747 -0.73078984 aminophenazone -7.9216514 -8.1277275 0.20607606 m-aminophenol -4.0578928 -4.7539482 0.69605535 o-aminophenol -4.0578928 -3.8617918 -0.19610104 p-aminophenol -6.4358363 -4.7539482 -1.681888 B-Amino-B-phenylpropionic ac-9.5504971 -9.5504971 -6.9277917E-13 aminopropionitrile -1.9111495 -1.4155791 -0.49557051 aminopropylon -11.887223 -12.256646 0.36942235 2-aminopyridine -2.9913549 -3.0221779 0.030823076 3-aminopyridine -2.3331447 -3.2329009 0.89975613 4-aminopyridine -5.4421473 -3.2329009 -2.2092464 aminopyrine -7.9216514 -8.1277275 0.20607606 p-aminosalicylic acid -7.5829878 -7.9755955 0.39260763 2-aminotetralin -3.8668907 -4.2051215 0.338231 2-aminothiazole -2.6149666 -2.5408354 -0.074131221 aminotrimethylene phosphonic-13.639408 -13.925141 0.28573325 amisulpride -14.147599 -14.610558 0.46295848 amiton -4.4302692 -4.4302692 4.1033843E-13 amitraz -8.1664038 -7.7931209 -0.37328273 amitrole -8.2812204 -8.2812204 4.2632564E-13 amlodipine -11.536009 -11.807231 0.27122283 ammmonium picrate -12.863523 -12.863523 -2.6290081E-13 ammonium thiocyanate -7.0271516 -7.320425 0.29327339 amobarbital -13.018142 -13.009234 -0.0089068776 amoxicillin -18.891567 -18.53441 -0.35715714 amphetamine -2.7507486 -3.5724504 0.82170182 ampicillin -16.653992 -16.581083 -0.072909102 amyl acetate -1.5704596 -1.4018745 -0.16858508 n-amylamine -0.46317777 -0.89225215 0.42907438 n-amyl butyrate -2.4441645 -2.2767422 -0.16742216 amyl chloride -0.51048076 -0.2228049 -0.28767586 amyl ether -2.2664111 -1.8915212 -0.37488973 t-amyl methyl ether -0.13424678 -0.84362906 0.7093823 amyl nitrate -1.3636925 -1.612897 0.24920453 amyl nitrite -1.46991 -0.8741771 -0.59573293 anabasine -4.731534 -5.2730455 0.5415113 ancitabine -10.76148 -11.521972 0.76049125 ancymidol -9.1076851 -8.6607723 -0.44691271 4-androstene-3,17-dione -8.0660143 -8.681179 0.61516488 androsterone -10.017416 -9.9556513 -0.061764326 angelicin -6.9196143 -6.7219815 -0.19763272 anilazine -10.647713 -9.243309 -1.4044044 aniline -2.2788417 -2.4086819 0.1298402 aniline mustard -5.3568296 -4.4713469 -0.88548309 anilofos -9.1982737 -9.1399117 -0.058361806 p-anisaldehyde -3.6167822 -3.2474604 -0.36932173 anise alcohol -4.5605774 -4.2673244 -0.29325309 p-anisic acid -5.0061426 -5.0792856 0.073143095 anisole -1.4849387 -1.3916363 -0.093302533 anisotropine methylbromide -12.664222 -12.664222 -3.0375702E-13 anthracene -7.4360256 -6.066834 -1.3691916 anthranilic acid -5.6930766 -5.537715 -0.15536208 anthraquinone -9.2540131 -7.5367594 -1.7172532 anthrarufin -11.312375 -11.429483 0.11710815 anthrone -7.0258245 -6.7816629 -0.2441615 Antibiotic 1233A -10.033885 -10.972782 0.93889761 antipyrine -6.784688 -6.903542 0.11885425 apigenin -12.427392 -13.201538 0.77414632 apomorphine -11.323196 -10.229177 -1.0940189 aprobarbital -12.59757 -12.548734 -0.048836708 arabinose -8.1311197 -8.2970448 0.16592427 arachidic acid -11.237177 -9.5987816 -1.6383952 arachidonic acid -9.2931709 -9.5987816 0.30561003 arachidyl alcohol -9.8198357 -9.2197256 -0.60011029 aramite -9.1863623 -10.381063 1.1947004 arbutin -14.04691 -13.664686 -0.38222364 arginine -11.100516 -11.859243 0.75872678 arsanilic acid -11.062393 -12.25417 1.1917772 artemether -6.8705039 -8.3347387 1.4642346 artemisinin -8.1122723 -8.4649849 0.35271281 ascorbic acid [vitamin C] -11.849596 -11.972805 0.12320913 asparagine -9.4360943 -8.9696083 -0.4664858 aspartame -13.81171 -13.496423 -0.31528702 aspartic acid -8.0102215 -7.9196744 -0.090546459 aspirin -6.8542223 -6.210145 -0.644077 aspon -7.5321589 -7.2569151 -0.275244 asulam -8.2037868 -7.4630251 -0.74076146 atenolol -11.960015 -12.501689 0.54167295 atrazine -8.8728809 -8.0900192 -0.78286237 atrolactic acid -7.0775166 -5.7393703 -1.3381463 atropine -10.171385 -9.8577938 -0.31359085 aurin -12.454231 -12.055083 -0.39914748 aurothioglucose -12.086964 -12.183012 0.096048318 azacitidine -13.774947 -14.579945 0.80499703 azaconazole -9.6643686 -8.7269707 -0.93739718 azafenidin -13.654055 -11.256754 -2.397301 5-azaindole -4.1388621 -5.512248 1.3733859 azamethiphos -9.9467516 -11.015988 1.0692368 azanidazole -10.571764 -11.521395 0.94963092 azaperone -9.7778482 -10.198728 0.42087924 azaserine -14.566245 -14.566245 1.2967405E-13 azathioprine -14.060844 -14.745322 0.6844784 6-azauridine -17.555695 -17.349102 -0.20659225 AZddU -21.339006 -21.339006 7.5672801E-13 azelaic acid -10.245255 -8.9069366 -1.3383174 azepane -1.0884141 -1.4067491 0.31833506 azetidine 0.49385911 0.14767483 0.34618428 azimsulfuron -13.150622 -13.355115 0.20449291 azinphos-ethyl -8.1580467 -10.063025 1.904979 azinphos-methyl -8.297348 -9.2294607 0.93211311 aziprotryn -12.259257 -10.454077 -1.8051808 aziridine 0.69425684 0.67310488 0.021152014 azithromycin -29.282265 -29.028988 -0.25327781 azobenzene -5.7030563 -6.1000977 0.3970409 2,2'-azobisisobutyronitrile -4.3269186 -3.2245791 -1.1023397 azocyclotin -14.986469 -14.986469 1.1830537E-12 azodicarbonamide -11.790578 -11.790578 2.3270275E-13 azoxystrobin -14.688151 -13.27829 -1.4098611 azulene -2.4184394 -1.973688 -0.44475135 baclofen -10.956772 -7.5447702 -3.4120014 barban -8.8319588 -8.4066753 -0.42528298 barbital -12.063848 -11.768016 -0.29583159 barbituric acid -9.9313889 -10.162847 0.23145792 Basic Fuchsin (1) -11.543651 -11.504869 -0.038782272 BCPC -5.5042086 -6.7651033 1.2608951 B,B'-Dithiodi-(a-aminopropio-12.054379 -12.120735 0.066356063 befunolol -10.881173 -11.657273 0.77610046 behenic acid -9.6778803 -10.074265 0.39638418 benalaxyl -7.8048153 -9.6517534 1.8469385 benazolin -11.511691 -10.163155 -1.3485365 benazolin-ethyl -7.9900327 -8.1205101 0.1304768 bendiocarb -6.8108945 -6.8475084 0.036613788 benefin -6.7104697 -7.1517415 0.44127163 benfuracarb -9.3122768 -9.3141994 0.0019222086 benfuresate -7.0885949 -7.3603158 0.27172047 benomyl -10.894643 -12.68159 1.7869474 benorylate -10.620874 -10.367857 -0.25301778 benoxacor -7.7687173 -8.002039 0.23332201 benoxaprofen -10.758586 -10.981368 0.2227824 benperidol -13.154886 -13.058518 -0.096368328 benquinox -12.459703 -10.22651 -2.2331924 bensulide -8.6962204 -9.3319073 0.63568676 bensultap -8.4363909 -8.4363909 -3.5527137E-15 bentazone -7.8428607 -9.2834864 1.4406261 benthiazole -8.8830118 -8.7028799 -0.18013237 benz[e]acephenanthrylene -8.7029228 -10.223037 1.5201132 benzal chloride -2.5347447 -2.7202168 0.185472 benzaldehyde -2.9219661 -2.3367658 -0.58520031 benzamide -5.1105771 -5.0079608 -0.10261631 benzanilide -7.9917474 -6.9097977 -1.0819494 1,2-benzanthracene -9.0362234 -8.8466759 -0.1895477 benzanthrone -9.0177898 -9.2844658 0.26667583 benzene 0.084131517 -0.4705461 0.55467761 benzene sulfonic acid -6.8261867 -5.9853249 -0.84086174 benzidine -8.3120651 -8.2013063 -0.11075912 benzilic acid -9.9928761 -8.8229418 -1.1699349 benzimidazole -6.1892562 -5.5049644 -0.68429202 benziodarone -13.541197 -13.080079 -0.46111754 benznidazole -11.794185 -12.200473 0.40628812 benzocaine -5.8029766 -4.4946613 -1.308315 benzofenap -9.6479778 -10.859013 1.2110353 benzo[b]fluoranthene -8.7029228 -10.223037 1.5201132 benzo[j]fluoranthene -9.983592 -10.223037 0.23944449 benzofuran -2.4288814 -2.8285556 0.39967427 benzohydrol -6.8291693 -6.0220475 -0.80712181 benzohydroxamic acid -8.2087259 -8.0530148 -0.15571074 benzoic acid -5.2416615 -4.168591 -1.0730705 benzonitrile -2.1279514 -2.5616782 0.43372679 benzo[ghi]perylene -12.441389 -11.789434 -0.65195501 benzophenone -4.9749966 -4.807435 -0.16756156 benzo[f]quinoline -6.5051541 -6.8178844 0.31273022 benzotrifluoride -0.57582331 -1.0605092 0.48468593 benzoxazole -2.6832581 -3.3221362 0.63887811 benzoximate -8.0319004 -7.7703881 -0.26151186 benzoyl peroxide -6.5389848 -6.8579869 0.31900218 benzoylprop-ethyl -9.5508833 -9.8110189 0.26013556 3,4-benzphenanthrene -8.5349684 -8.4014292 -0.13353936 benzthiazole -3.9847581 -4.283092 0.29833364 benzyl acetate -2.9285893 -3.0607615 0.13217223 benzyladenine -13.09978 -12.94722 -0.15256055 benzyl alcohol -3.0608141 -3.3566296 0.29581559 benzylamine -2.2150555 -2.5616782 0.34662282 6-benzylaminopurine -13.09978 -11.691884 -1.4078962 benzyl benzoate -5.9765515 -4.9569359 -1.0196155 benzyl bromide -2.6419902 -2.4343085 -0.20768161 benzyl chloride -2.012419 -1.890363 -0.12205604 benzyl ether -5.2181034 -3.8385029 -1.3796008 benzyl ethyl ether -2.1679699 -2.2682559 0.10028585 benzylhydrochlorothiazide -14.340661 -14.423276 0.082614943 benzylideneaniline -4.7825289 -4.4795532 -0.30297571 benzyl methyl ether -1.9108173 -1.7810725 -0.12974477 benzylpenicillinic acid -14.117678 -13.667875 -0.44980264 p-benzyl phenol -6.4296412 -6.6166763 0.18703514 benzyl salicylate -7.8307343 -7.234416 -0.59631848 benzyl sulfide -5.8701305 -5.4679728 -0.40215814 benzylurea -5.6400166 -5.4450955 -0.19492064 betaine -8.3411589 -9.0640507 0.72289175 betamethasone -15.611764 -15.192496 -0.41926712 betamethasone dipropionate -15.748179 -15.901115 0.15293519 betaxolol -10.363857 -10.276896 -0.086962022 bevantolol -12.496938 -11.564033 -0.93290466 bezitramide -16.581881 -17.063864 0.48198316 BHC (hexachlorocyclohexane) -5.5698037 -4.9761405 -0.59366316 bifenox -9.5341511 -8.7705679 -0.76358348 bifenthrin -9.3708963 -10.235049 0.8641538 bifonazole -12.442655 -12.159158 -0.28349745 binapacryl -9.008563 -8.9069118 -0.10165052 bioallethrin -8.4013767 -7.7613173 -0.64005929 bioresmethrin -6.3833179 -7.1496191 0.76630127 biperiden -10.759367 -9.0878372 -1.6715299 biphenyl -4.237215 -4.5112891 0.27407417 p-biphenylamine -6.1602345 -6.3562975 0.19606304 2,2'-bipyridine -7.0796585 -5.9499707 -1.129688 3,5-Bis(1,1-dimethylethyl)-4-15.19603 -15.077385 -0.11864507 bis(2-ethylhexyl)sebecate -9.6300592 -9.2609768 -0.3690829 bismuth subsalicylate -7.7756195 -6.2982869 -1.4773326 bisphenol A -8.7662678 -8.4933929 -0.27287474 bisoprolol -10.532894 -11.037534 0.5046404 bis(tributyltin) oxide -7.900238 -6.6743174 -1.2259209 1,4-bis(trichloromethyl)benz-5.4866447 -6.4544811 0.96783662 bitertanol -8.3520403 -7.9539704 -0.39807001 bithionol -11.551454 -10.967148 -0.58430654 BL-1280 -8.8830118 -8.7028799 -0.18013237 bornane -1.4504286 -1.2501515 -0.20027706 d-borneol -3.6441181 -3.1568933 -0.48722494 bornyl acetate -2.9349191 -3.4723241 0.53740484 brallobarbital -14.003178 -13.927561 -0.075617485 Brilliant green -24.647751 -24.647751 1.4210855E-12 brodimoprim -10.749377 -10.276351 -0.47302556 bromacil -8.9296694 -8.8894453 -0.040223271 bromadiolone -10.546021 -10.546021 -1.1972645E-12 bromazepam -11.221115 -11.130782 -0.090333194 bromethalin -9.7750835 -9.8209133 0.045829799 bromine 0.12275365 -0.085099563 0.20785321 bromisovalum -8.6340837 -7.3500366 -1.284047 p-bromoacetanilide -6.7964811 -6.4834089 -0.31307229 bromoacetic acid -2.8439798 -1.9855913 -0.85838842 bromoacetone -0.1823767 -1.1610502 0.97867346 3-bromoaniline -3.6020904 -3.6377153 0.035624836 4-bromoaniline -3.6020904 -3.6377153 0.035624836 bromobenzene -1.5747173 -1.6995794 0.12486209 2-bromobenzoic acid -5.3857021 -5.3170996 -0.068602592 1-bromobutane -0.53469217 -0.3463667 -0.18832543 2-bromobutanoic acid -3.2015073 -2.9393859 -0.26212144 bromobutide -8.6985846 -8.4936066 -0.20497829 bromochloromethane 0.043494806 0.23462313 -0.19112833 bromoethane 0.63205218 0.6344319 -0.0023797324 bromoform -1.7015043 -2.2020578 0.50055349 1-bromohexane -1.6265786 -1.3125879 -0.31399068 bromomethane 1.2320927 1.1302978 0.10179493 1-bromonaphthalene -4.3279662 -3.6943924 -0.63357389 2-bromophenol -3.6663294 -3.3662412 -0.30008808 4-bromophenol -4.1698523 -4.1519585 -0.017894002 bromophenoxim -13.725677 -14.17581 0.4501321 2-bromo-1-phenylethanone -4.0201688 -3.8741605 -0.14600819 bromophos -6.4562263 -6.6559625 0.19973607 bromopride -11.222167 -11.222167 1.1173285E-12 1-bromopropane -0.044528037 0.14221042 -0.18673846 bromopropylate -9.7177191 -10.414361 0.6966418 bromosalicylchloranilide -11.735794 -11.142181 -0.59361255 bromosaligenin -6.8526964 -6.7426615 -0.11003506 4-bromotoluene -2.1723568 -1.9837277 -0.18862918 bromotriflouromethane 1.9134482 1.1302978 0.78315043 5-bromouracil -8.9249477 -9.3875875 0.46263975 bromoxynil -9.7683783 -9.4682903 -0.30008808 bromuconazole -10.099255 -9.8458433 -0.25341186 bronopol -7.1644011 -7.1644011 -1.5099033E-14 brotizolam -11.484525 -10.323712 -1.1608132 brucine -12.10043 -12.812673 0.71224302 bufexamac -10.961406 -11.117116 0.15571074 buformin -5.9816289 -4.6602178 -1.3214113 bufuralol -9.4189444 -7.9488673 -1.4700767 bulbosan -9.1538963 -9.0147734 -0.13912286 bupirimate -6.8039603 -6.773026 -0.030933902 bupranolol -8.6775455 -8.3868303 -0.29071495 buprenorphine -16.523748 -15.950247 -0.57350194 buprofezin -7.5117574 -8.8458338 1.3340768 Busan -9.367074 -9.367074 -1.1972645E-12 buspirone -14.673774 -13.096675 -1.5770987 busulfan -7.5686069 -7.9684553 0.39984888 butacarb -6.472127 -6.7304449 0.2583178 butachlor -8.0315027 -8.5062819 0.47477928 1,3-butadiene 1.5912021 1.1736218 0.41758025 butallylonal -14.200602 -14.188115 -0.012486405 butam -5.5431938 -6.0703835 0.52719009 butamifos -5.7222304 -5.7222304 -3.907985E-13 n-butane 1.4957697 1.1736218 0.32214788 1,2-butanediol -3.2549586 -2.9283781 -0.32658067 1,3-butanediol -3.6516004 -3.2507694 -0.40083104 1,4-butanediol -3.9336071 -3.6265502 -0.30705693 2,3-butanediol -2.56919 -1.4193972 -1.1497929 1-butanethiol -0.29707861 -0.48381209 0.18673348 1-butanol -1.0438362 -1.2264642 0.18262799 2-butanol -0.6074599 -0.12288772 -0.48457217 2-butanone 0.099192023 -0.12288772 0.22207975 2-butanone oxime -1.9839216 -1.5635077 -0.42041394 butaperazine -12.726947 -13.582241 0.85529476 1-butene 1.603211 1.1736218 0.42958915 cis-2-butene 1.4551485 1.1736218 0.28152663 trans-2-butene 1.4965411 1.1736218 0.32291931 butethal -12.846803 -12.69995 -0.1468522 buthidazole -11.424679 -11.310127 -0.11455172 buthiobate -10.731709 -10.035183 -0.69652563 butocarboxim -7.9782877 -7.2248654 -0.75342214 butonate -6.4659848 -8.4400911 1.9741062 butoxycarboxim -8.0458021 -8.0437822 -0.0020199879 2-butoxy ethanol -2.1280077 -2.7291381 0.60113043 2-butoxyethanol acetate -2.6306295 -2.3770993 -0.25353006 2-(2-butoxyethoxy)ethylthioc-5.5672169 -7.0387349 1.4715179 butoxytriglycol -4.9164848 -5.6907539 0.77426916 butralin -7.3664808 -8.3119516 0.94547039 butroxydim -10.726446 -11.691957 0.96551096 buturon -7.6499677 -7.9907413 0.34077367 n-butyl acetate -1.0043204 -0.8890028 -0.11531761 sec-butyl acetate -0.83456933 -1.1462913 0.31172192 n-butylamine 0.10391379 -0.37411085 0.47802463 sec-butylamine 0.26628977 -0.37411085 0.64040059 t-butylamine 0.89078128 -0.20264117 1.0934225 butylate -4.223217 -4.6948977 0.4716804 butyl benzyl phthalate -7.5582137 -7.3138747 -0.24433929 butyl carbitol acetate -3.7080998 -3.8506186 0.14251873 1,2 butylene oxide 0.39733633 0.49878651 -0.10145018 butyl formate -0.54823196 -0.54008138 -0.0081505599 butyl iodide -1.1218348 -1.3143228 0.19248806 butyl nitrate -1.0310441 -1.1082578 0.077213757 n-butylnitrite -0.10322475 -0.52750546 0.4242807 butyl oleate -8.1096525 -8.5176849 0.40803275 butylparaben -6.0211053 -5.9008455 -0.12025966 tert-butyl peroxybenzoate -2.769763 -5.2078905 2.4381275 butyl phthalyl butyl glycola-7.6773787 -7.0294156 -0.64796287 n-butyl propanoate -1.4691054 -1.4198995 -0.049205914 butyl stearate -7.7687583 -8.5176849 0.74892688 2-butyne 1.1157243 1.1736218 -0.057897493 butyraldehyde 0.18738681 -0.12288772 0.31027454 n-butyric acid -1.7274879 -2.1676624 0.44017449 butyrin -5.8984351 -6.0490127 0.15057743 g-butyrolactone -2.2817075 -1.2500747 -1.0316327 butyronitrile -0.54944164 -0.37411085 -0.17533077 BW 348U87 -12.75894 -13.130048 0.37110776 cacodylic acid -9.1398592 -9.1398592 7.8159701E-14 cadusafos -5.4777098 -5.8862948 0.40858516 cafenstrole -13.194325 -14.04703 0.85270482 caffeic acid -8.8542223 -7.9796467 -0.87457561 caffeine -1.112111 -1.112111 4.9826809E-13 calcium cyanamide -1.6483625 -1.6483625 3.2596148E-13 calcium stearate -17.438774 -17.848768 0.40999526 camphor -2.3695598 -2.5196569 0.15009721 d-camphorcarboxylic acid -2.4798479 -2.2725959 -0.20725209 camptothecin -16.966799 -16.526024 -0.4407751 canrenone -10.696335 -9.9370794 -0.75925517 capric acid -5.6726804 -5.7100101 0.037329789 caproic acid -3.4265289 -3.4492021 0.022673069 caprylic acid -4.5895925 -4.6299849 0.04039238 captafol -10.726602 -10.309638 -0.41696346 captan -9.523675 -9.2399158 -0.2837595 captopril -7.7758913 -8.258441 0.48254913 carbanolate -5.364953 -4.6542177 -0.71073496 carbaryl -8.1701021 -7.6251745 -0.54492718 carbendazim -11.406368 -9.8570652 -1.5493034 carbenicillin -16.577917 -15.536274 -1.0416428 carbocloral -5.8618603 -5.9969883 0.13512817 carbofuran -7.6591148 -7.0985584 -0.56055611 beta-carboline -6.8774724 -6.610374 -0.2670987 carbomycin -30.008816 -29.75038 -0.25843769 carbon tetrachloride -0.12624042 -0.78622293 0.6599825 carbonylcyanide 4-(trifluoro-7.5888577 -7.8563552 0.26749754 carbophenothion -9.0579519 -8.1911678 -0.86678427 carboquone -10.49372 -11.381171 0.88745189 carbosulfan -9.0932302 -8.6601105 -0.43311897 carboxin -9.0742607 -8.5548992 -0.51936185 carbutamide -10.933785 -11.350972 0.4171868 cartap -13.02703 -13.02703 3.6060044E-13 carvedilol -17.427156 -16.330111 -1.0970458 carvone -2.9725637 -2.900254 -0.072309785 CDAA -4.2664776 -3.0987566 -1.1677212 CDEA -3.3967896 -2.7543824 -0.642407 CDEC -5.0073538 -5.0966778 0.089323781 cefamandole -23.665949 -23.829773 0.1638231 cefazolin -20.481413 -20.488874 0.0074625639 cefmetazole -20.280779 -19.640673 -0.64010614 cefoperazone -31.827253 -31.599718 -0.22753629 cefoxitin -17.593426 -17.499605 -0.093820088 cefuroxime -17.392202 -18.389301 0.99709862 CEPC -6.0368767 -6.5042701 0.4673937 cephalexin -17.030237 -17.690926 0.66068918 cephaloglycin -18.500668 -18.270044 -0.2306229 cephaloridine -17.66091 -17.334 -0.32691109 cephalothin -16.375422 -16.363632 -0.011788814 cetyl alcohol -7.8988457 -7.3088746 -0.58997113 CGA 41065 -9.2447948 -8.9814529 -0.26334202 chinomethionat -9.0686922 -8.4499378 -0.61875468 chinosol -17.063776 -17.063776 2.4868996E-14 chlomethoxynil -7.3509259 -8.2267532 0.87582761 chloral hydrate -1.0423886 -3.0428257 2.0004373 chloralose -11.041947 -11.29831 0.25636294 chloramben -9.3138733 -7.8999944 -1.413879 chlorambucil -8.5146475 -9.5094995 0.99485159 chloramphenicol -14.271291 -14.368791 0.097499855 chlorbenside -7.1795812 -6.4389286 -0.74065268 chlorbromuron -8.8688517 -8.8172197 -0.051631372 chlorbufam -7.1508818 -6.7651033 -0.38577819 chlordane -7.6133471 -7.6906137 0.077266455 chlordecone -9.3385048 -8.8319292 -0.5065763 chlordiazepoxide -13.46389 -13.562563 0.098673426 chlordimeform -5.3285074 -4.8051252 -0.52338177 chlorfenac -6.8490191 -8.0146017 1.1655824 chlorfenapyr -9.7433395 -9.7659826 0.022642849 chlorfenethol -8.6959238 -7.295053 -1.4008702 chlorfenprop methyl -5.0599799 -5.1291351 0.069155298 chlorfenson -8.2074652 -8.7877464 0.58028072 chlorfluazuron -16.776236 -15.979656 -0.79657853 chlorflurazole -7.9441428 -7.7396369 -0.20450579 chlorguanide -8.5351048 -9.8170795 1.281975 chlorhexidine -18.420336 -19.19228 0.77194303 chlorimuron-ethyl -14.015764 -12.86267 -1.1530951 chlorine 1.9150714 1.5506237 0.36444762 chlormephos -3.6145973 -3.9235725 0.30897528 chlormequat chloride -9.3237286 -9.3237286 -1.5424106E-11 chlornaphazine -7.927319 -7.0027289 -0.92459041 chlornitrofen -8.7813044 -8.3076973 -0.47360694 chloroacetic acid -3.1624577 -1.2597041 -1.9027536 chloroacetone -0.88702166 -0.47703636 -0.4099853 chloroacetonitrile -0.7017827 -0.15750825 -0.54427445 2-chloroaniline -2.7960744 -3.7173972 0.92132294 3-chloroaniline -3.3733108 -3.0019188 -0.37139195 4-chloroaniline -3.6743407 -3.0019188 -0.67242193 chlorobenzene -0.9721365 -1.1247306 0.15259415 chlorobenzilate -8.1696644 -9.1434031 0.97373915 3-chlorobenzoic acid -6.2665148 -4.8049488 -1.4615657 4-chlorobenzotrifluoride -1.3740484 -1.6968673 0.32281896 1-chlorobutane 0.037921675 0.29851621 -0.26059455 2-chlorobutane 0.22949995 0.29851621 -0.069016255 3-chloro-4-cresol -3.4550493 -3.9000518 0.44500259 1-chloro-1,1-difluoroethane 1.4027302 1.3603191 0.042411085 chlorodifluoromethane 1.9235215 1.9008009 0.022720627 2-chloro-1,4-dimethylbenzene-2.2221372 -1.6942941 -0.52784312 chloroethane 1.1947321 1.3603191 -0.16558708 2-chloroethanol -1.04969 0.050307494 -1.0999974 2-chloroethyl ether -1.9649805 -1.0619951 -0.90298533 chloroform 0.21762401 0.10945167 0.10817233 1-chlorohexane -1.1096276 -0.73773915 -0.37188846 alpha-chlorohydrin -2.7424412 -3.2892778 0.54683644 chloromethane 1.9303566 1.9008009 0.02955577 2-chloro-2-methylbutane 0.24648115 -0.06367664 0.31015781 1-chloro-2-methylpropene 0.36949882 0.29851621 0.070982613 3-chloro-2-methyl-1-propene 0.051763136 0.29851621 -0.24675308 chloroneb -4.8389111 -3.6837754 -1.1551358 1-chloro-3-nitrobenzene -3.2106175 -3.8871822 0.67656463 1-chloro-4-nitrobenzene -3.2431469 -3.8871822 0.64403546 1-chloropentane -0.51048076 -0.2228049 -0.28767586 chlorophacinone -10.698717 -12.874537 2.1758208 chlorophene -6.6356111 -7.1770067 0.54139584 2-chlorophenol -1.7059239 -2.9924238 1.2864999 3-chlorophenol -3.0121346 -3.5771096 0.56497508 4-chlorophenol -3.1695251 -3.5771096 0.40758428 chloropicrin -0.83919829 -0.83919829 1.3211654E-14 chloropon -3.9065025 -3.549706 -0.35679656 1-chloropropane 0.64278525 0.82622421 -0.18343896 2-chloropropane 0.81677341 0.82622421 -0.0094508203 chloropropylate -9.2751551 -9.971961 0.69680583 chloroquine -9.2216339 -9.3224354 0.10080123 4-chlororesorcinol -5.0808096 -5.4448028 0.36399335 chlorothalonil -8.6672792 -8.2908506 -0.37642887 chlorothiazide -13.150696 -11.80056 -1.3501362 m-chlorotoluene -1.5364764 -1.4397823 -0.096694142 o-chlorotoluene -1.5670301 -1.5365301 -0.030499971 p-chlorotoluene -1.6725719 -1.4397823 -0.23278968 3-chloro-p-toluidine -3.5382252 -3.3981972 -0.14002818 chlorotoluron -9.7713747 -7.6747518 -2.0966232 chloroxylenol -4.153378 -4.1545639 0.0011858508 chlorozotocin -15.89659 -17.141644 1.2450528 chlorphonium -8.7139692 -8.7139692 2.6112446E-13 chlorpromazine -9.2059441 -8.4150801 -0.79086399 chlorpropamide -9.8691578 -9.8983574 0.02919961 chlorpropham -7.4546223 -6.4402981 -1.0143245 chlorprothixene -9.1246986 -9.8385859 0.71388721 chlorpyrifos -7.2372503 -7.0055456 -0.23170434 chlorpyrifos-methyl -6.8852754 -7.0760508 0.19077526 chlorsulfuron -13.191843 -14.289382 1.0975392 chlortetracycline -25.962523 -25.429842 -0.53268051 chlorthiamid -8.314002 -8.314002 3.499423E-13 chlorthiophos -8.1775417 -7.4241333 -0.75340807 chlorxylenol -4.153378 -4.1545639 0.0011858508 chlozolinate -7.521275 -9.9847679 2.4634933 cholesterol -11.695745 -12.100146 0.40440077 cholic acid -17.048941 -17.60722 0.55827814 chrysene -10.563955 -8.9158382 -1.6481166 chrysin -11.209308 -11.872252 0.66294426 chrysoidine -8.2138128 -10.054739 1.8409261 chrysoidine free base -8.1449738 -9.4508495 1.305876 cimetidine -10.661588 -10.394216 -0.26737124 cinchonidine -11.51272 -11.315303 -0.19741783 cinchonine -11.51272 -11.315303 -0.19741783 cinchophen -10.206294 -10.786703 0.58040929 cinerin II -8.8949919 -9.6546822 0.75969082 cinmethylin -6.559248 -7.0471797 0.48793134 cinnamamide -6.1466074 -6.9164181 0.76981038 cinnamonitrile -3.7493589 -3.5724504 -0.17690848 cinnarizine -11.445843 -11.840763 0.39492118 cinnoline -5.3646636 -4.9125767 -0.45208701 cinosulfuron -14.77624 -14.09517 -0.68107057 ciprofloxacin -14.302763 -14.489626 0.18686338 citral -3.2234316 -2.900254 -0.32317767 citric acid -10.715356 -10.970149 0.25479314 citronellal -2.7410281 -2.900254 0.15922588 citrulline -10.29555 -10.879587 0.58403653 clanobutin -12.022769 -11.809493 -0.21327579 clarithromycin -28.939344 -28.764921 -0.17442358 clebopride -13.740181 -13.312633 -0.42754805 clindamycin -18.905699 -19.216394 0.31069544 clobazam -11.613048 -10.740873 -0.87217385 clobetasol 17-propionate -15.234683 -14.257468 -0.97721499 clobetasone -14.080091 -14.22637 0.1462792 clobetasone 17-butyrate -13.206065 -13.364056 0.15799086 clocythrin -11.509998 -11.549689 0.039690919 clofazimine -14.513814 -15.199649 0.68583471 clofentezene -11.492602 -10.967413 -0.52518946 clofibric acid -6.2786026 -6.0863547 -0.19224781 clomazone -6.221261 -6.9780259 0.75676477 clomeprop -10.713502 -10.328624 -0.38487801 clomethiazole -3.8467989 -4.4740438 0.62724483 clomipramine -8.8884697 -9.8160486 0.92757875 clonazepam -12.39545 -12.312257 -0.08319281 clonidine -7.0001001 -8.1001987 1.1000986 clopenthixol -15.134715 -14.961064 -0.17365025 clopidol -5.4651194 -4.6245575 -0.84056193 clopimozide -15.49404 -15.146762 -0.34727815 cloquintocet-mexyl -9.9240141 -9.1275673 -0.79644662 cloxacillin -17.502609 -17.756908 0.25429869 cloxyquin -6.5382667 -6.7184925 0.18022585 clozapine -10.537465 -11.347817 0.81035239 CMA -5.2929082 -5.2929082 1.0125234E-13 CNP -8.7813044 -8.3076973 -0.47360694 cobalt -10.142994 -10.142994 1.4210855E-14 cocaine -9.2008829 -8.2103539 -0.99052888 codeine -10.858118 -10.898244 0.040125467 codelure -5.5464253 -5.3397141 -0.20671119 colchicine -14.105872 -14.514791 0.40891939 compactin -14.235271 -14.045838 -0.1894336 Z-coniferyl alcohol -7.3112411 -7.5700874 0.25884634 coniine -2.2568738 -2.4248099 0.167936 copper phthalocyanine -21.259386 -20.117044 -1.1423417 copper 8-quinolinolate -12.008506 -10.94648 -1.0620264 corticosterone -13.867521 -14.195052 0.32753065 cortisol -15.428893 -15.383545 -0.045347795 cortisone -14.793376 -14.788908 -0.0044682673 cortodoxone -13.562353 -13.148636 -0.41371742 cotinine -6.3473067 -6.6849813 0.33767468 coumachlor -14.679448 -13.607694 -1.0717547 coumaphos -9.5728159 -10.256193 0.68337727 coumaran -2.2057807 -2.342715 0.13693433 p-coumaric acid -7.0084047 -6.8136401 -0.19476482 coumarilic acid -6.0396032 -6.1491399 0.10953686 coumatetralyl -12.661016 -10.960716 -1.7002994 4-CPA -5.7684259 -5.962985 0.19455923 CPMC -4.3489537 -4.6560326 0.30707899 creatine -5.2200627 -5.9815183 0.76145566 creatinine -5.7170472 -5.7099619 -0.0070854118 creosol -3.76015 -3.919847 0.15969703 m-cresol -2.9925494 -3.1669459 0.17439666 p-cresol -2.9925494 -3.1669459 0.17439666 m-cresyl acetate -2.9617186 -2.7758162 -0.18590257 crimidine -3.872817 -4.2031455 0.33032835 cromolyn -22.056715 -22.565355 0.50863969 crotonaldehyde -0.36850053 -0.12288772 -0.24561282 crotononitrile -0.32146916 -0.37411085 0.052641675 crotoxyphos -7.3511491 -7.3511491 -1.8562929E-13 crown ether (18-crown-6) -6.5979671 -8.1230745 1.5251069 crown ether (dibenzo-18-crow-10.957963 -10.530369 -0.42759451 crufomate -6.8908863 -6.8997011 0.0088148033 Crystal Violet -16.325039 -16.357943 0.032902997 cumene -1.4266214 -1.9308541 0.5042327 cumene hydroperoxide -4.6678057 -4.3176632 -0.35014227 curcumin -14.074902 -14.636335 0.56143343 cyanazine -9.2415485 -9.769207 0.52765906 cyanobutane -1.0746336 -0.89225215 -0.18238141 cyanofenphos -8.3990746 -7.3623238 -1.0367504 cyanogen 1.9171975 1.9171975 2.5957014E-13 cyanophos -5.4894395 -5.1586113 -0.33082822 3-cyanopyridine -2.5461667 -3.2025504 0.65638387 cyanuric acid -9.6265211 -9.4542933 -0.17222738 cyanuric chloride -3.9040003 -4.7743878 0.87038773 cyclacillin -16.079943 -16.242491 0.16254692 cyclanilide -10.479778 -10.992153 0.51237518 cyclic AMP -12.734974 -12.773457 0.038481954 cycloate -5.032084 -5.5129442 0.48086041 cyclobarbital -13.903551 -13.617308 -0.28624302 cyclobutane 1.3229104 1.1736218 0.14928865 cyclobutanone -0.21215333 -0.12288772 -0.089265615 cycloheptane -0.65755582 -0.41643268 -0.24112315 1,3-cyclohexadiene 0.084370181 0.10994114 -0.025570961 cyclohexane 0.061260995 0.10994114 -0.048680145 cyclohexanol -2.097564 -2.4475389 0.34997481 cyclohexanone -1.3553362 -1.1730664 -0.18226984 cyclohexene 0.034856457 0.10994114 -0.075084686 cycloheximide -14.800851 -14.837643 0.036791254 cyclohexylamine -0.99204117 -1.4067491 0.41470793 2-cyclohexyl-4,6-dinitrophen-9.8030481 -10.585844 0.78279585 cyclohex-1,2-ylenediamine -2.4479964 -2.9234393 0.47544289 1-cyclohexylethanol -2.9840407 -2.2086675 -0.77537316 2-cyclohexylethanol -3.4003222 -3.3122439 -0.088078186 cycloleucine -10.691133 -10.809361 0.11822864 cyclooct-4-en-1-yl methyl ca-3.9131508 -3.457238 -0.45591274 cyclopentadecanone -5.5829053 -6.3057632 0.72285765 cyclopentadiene 0.81832039 0.63995934 0.17836109 cyclopentane 0.65654558 0.63995934 0.01658627 cyclopentanol -1.5389321 -1.9242717 0.38533968 cyclopentanone -0.8679415 -0.64979923 -0.2181423 cyclopentobarbital -13.765426 -13.617308 -0.14811772 cyclopropane 2.1091645 1.7109287 0.39823577 cycloprothrin -10.481928 -10.481928 2.4993341E-12 cyclosulfamuron -9.4072084 -9.8372526 0.43004453 cycloxydim -9.6374063 -9.5050774 -0.13232851 cycluron -6.473175 -7.0869632 0.61378825 cyfluthrin -12.461645 -11.94533 -0.51631504 cyhalofop -10.54777 -11.118614 0.57084501 cyhalothrin -10.777972 -10.106226 -0.67174667 cyhexatin -10.649115 -10.649115 5.0448534E-13 m-cymene -1.8922427 -2.0813293 0.18908674 o-cymene -1.9516799 -2.4103591 0.4586792 p-cymene -1.9634182 -2.0813293 0.11791115 cymoxanil -8.5232782 -8.5232782 1.9895197E-13 cypermethrin -11.132222 -10.573489 -0.55873239 cyphenothrin -8.620286 -9.6353178 1.015031 cypionic acid -3.9767613 -4.6299849 0.65322328 cyprazine -8.8801928 -8.3600283 -0.52016455 cyproconazole -9.0500364 -9.3711634 0.32112646 cyprodinil -7.7868581 -7.5725498 -0.21430823 cyproheptadine -8.900938 -8.0930853 -0.8078531 cypromid -7.7948222 -7.263937 -0.53088558 cyromazine -10.694225 -8.475791 -2.2184339 L-Cysteine -7.767343 -9.1071386 1.3397958 L-Cystine -12.054379 -12.120735 0.066356063 cythioate -8.2884512 -8.7008047 0.41235322 cytidine -13.168485 -13.057347 -0.11113723 cytisine -7.0833731 -7.1922331 0.10886009 cytosine -5.0082717 -5.9972992 0.98902762 2,4-D -6.4279637 -7.087852 0.65988839 dacarbazine -9.9180632 -9.1971073 -0.72095591 dalapon -2.8764312 -2.6650014 -0.21142979 dalfampridine -5.4421473 -3.2329009 -2.2092464 daminozide -5.9035287 -5.9035287 -3.5527137E-15 dapsone -9.9668055 -10.141016 0.1742101 daunorubicin -24.183132 -24.381845 0.19871362 dazomet -7.7630463 -7.7630463 4.1922021E-13 2,4-DB -7.350987 -7.8548131 0.5038262 DBNPA -5.4293184 -5.6420507 0.21273215 2,4-D-butyl -6.6530776 -5.8322659 -0.82081181 DCPA -8.1230974 -9.1615105 1.038413 DCPM -6.9571462 -6.2483406 -0.70880592 D & C Yellow no. 11 -10.441825 -10.420378 -0.021447107 DDDP -8.1199894 -8.0424461 -0.077542759 DDT -9.345417 -8.0413733 -1.3040437 deanol -1.4475973 -2.337647 0.89004958 decalin -1.7788968 -1.973688 0.19479111 decanal -3.1809878 -3.2296913 0.048703399 n-decane -1.9977727 -1.973688 -0.02408471 1-decanol -4.2694621 -4.3332677 0.063805528 1-decene -1.9241951 -1.973688 0.049492881 DEET -4.9805803 -4.8759222 -0.10465796 DEF -7.3793406 -7.3673458 -0.011994938 dehydroepiandrosterone (DHEA-10.111691 -9.9556513 -0.15603887 deltamethrin -10.527343 -10.362521 -0.16482115 demecolcine -11.399579 -11.671697 0.27211747 demeton -5.2775636 -6.0440016 0.76643825 demeton-S-methyl -5.8851047 -6.3385491 0.45344439 deoxycholic acid -15.116763 -15.385812 0.26904887 deoxycorticosterone -12.06424 -11.960142 -0.10409714 desflurane 0.59677112 0.57238674 0.024384351 desipramine -8.2323418 -8.2323418 -1.7763568E-15 desmedipham -11.000417 -9.8777056 -1.1227108 desmetryn -8.3298311 -8.0861006 -0.24373072 desoximetasone -14.077377 -14.53789 0.460513 dettol -4.153378 -4.1545639 0.0011858508 dexamethasone -15.646331 -16.354464 0.70813251 dexetimide -16.067869 -15.155293 -0.91257548 dextromoramide -12.047962 -9.3050365 -2.7429256 diacetone alcohol -1.8320221 -2.2981062 0.46608409 diacetylmorphine -11.687236 -12.863043 1.1758074 diafenthiuron -11.130099 -10.995503 -0.13459641 dialifos (dialifor) -9.766016 -10.704183 0.9381665 diallate -6.2555714 -6.3691301 0.11355881 diamidfos -5.7426763 -5.6944647 -0.048211507 2,4-diamino-6-phenyl-1,3,5-t-9.1967335 -9.1680479 -0.028686138 2,5-diaminotoluene -4.5554447 -4.4379306 -0.11751392 a,d-Diaminovaleric acid -11.075754 -9.9471512 -1.1286031 dianhydrogalactitol -5.1604242 -5.3049603 0.14453578 diaveridine -9.7087126 -9.5211782 -0.18753509 diazepam -10.010364 -9.5676327 -0.4427309 diazinon -6.5286093 -5.8290405 -0.69956863 diaziquone -11.437644 -12.078473 0.64082915 dibenz[a,h]anthracene -12.444546 -10.882329 -1.5622165 dibromochloropropane (DBCP) -2.6100652 -2.3112123 -0.2988528 1,2-dibromoethane -1.2245991 -0.98301613 -0.24158299 dibutyl ether -1.335793 -1.0352161 -0.30057693 dibutyl phthalate -7.1413517 -6.1209574 -1.0203942 dibutyl sebacate -7.8453107 -7.1848154 -0.6604954 dibutyltin dilaurate -12.323262 -12.250009 -0.073253639 dicamba -6.8155012 -6.9816995 0.16619836 dicapthon -7.9173708 -8.4457684 0.52839762 dichlobenil -5.2311797 -4.2730341 -0.95814544 dichlofenthion -5.7502875 -5.6742411 -0.076046526 dichlofluanid -9.5226946 -9.4438763 -0.078818254 dichlone -0.44224533 -0.44224533 -5.3956839E-13 dichloralurea -11.446157 -12.180285 0.73412776 dichlormid -4.5400386 -4.7133689 0.17333037 dichloroacetic acid -2.8574839 -2.1512649 -0.70621896 2,6-dichlorobenzamide -6.7655449 -6.719317 -0.046227854 1,2-dichlorobenzene -2.0337222 -2.111553 0.077830672 1,3-dichlorobenzene -1.8348227 -1.7789152 -0.055907439 1,4-dichlorobenzene -1.9267118 -1.7789152 -0.14779668 2,7-dichlorodibenzo-P-dioxin-8.3520575 -7.392859 -0.95919877 dichlorodiflouromethane 1.6033212 1.0051262 0.5981949 1,2-dichloroethane -0.098306134 0.46875831 -0.5670644 dichlorofluoromethane 0.76570278 1.0051262 -0.23942351 dichlorophen -9.4408407 -9.244338 -0.19650212 3,6-dichloropicolinic acid -7.2040691 -6.2963829 -0.90768665 1,2-dichloropropane -0.32622764 -0.058480263 -0.26774737 1,3-dichloropropane -0.7928834 -0.058480263 -0.73440313 1,3-dichloropropene -0.51365685 -0.058480263 -0.45517659 1,2-dichlorotetraflouroethan1.0704417 0.46875831 0.60168344 dichlorprop -9.4960775 -7.1735806 -2.3224967 dichlorvos -4.145647 -4.2223711 0.076723881 diclobutrazol -10.340052 -9.7832642 -0.55678797 diclofenac potassium -9.7358475 -9.2479486 -0.48789904 diclofenac sodium -15.825869 -16.492685 0.66681582 diclofop methyl -7.9888792 -8.4624166 0.47353718 dicloran -8.0149231 -7.513391 -0.5015322 dicloxacillin -18.144728 -18.54431 0.39958116 dicofol -8.9688282 -9.2909584 0.32213071 dicrotophos -6.1709538 -7.2378993 1.0669454 dicumarol -18.747093 -17.616135 -1.1309576 dicyandiamide -5.6916776 -5.6916776 4.6185278E-13 didanosine -12.554419 -12.528111 -0.026307473 dideoxyadenosine -12.829278 -13.087265 0.25798711 dideoxycytidine -9.5590353 -9.614604 0.055568617 dideoxyinosine -12.554419 -12.528111 -0.026307473 dieldrin -7.8106422 -7.1537271 -0.65691495 diethanolamine -5.5745649 -4.6441221 -0.93044281 diethatyl ethyl -9.2843275 -8.6093082 -0.67501932 diethazine -9.5980291 -8.4160957 -1.1819327 diethofencarb -6.4270015 -7.7947288 1.3677273 N,N-diethylacetamide -2.1085279 -1.9237694 -0.18475865 diethylamine 0.5106464 -0.031171504 0.5418179 diethylaminoethanol -1.9227279 -2.783041 0.86031306 N,N-diethylaniline -3.0402882 -3.3864913 0.34620306 1,2-diethylbenzene -2.1065819 -2.7505162 0.64393437 1,3-diethylbenzene -2.0485899 -2.5098841 0.46129429 p-diethylbenzene -2.1024654 -2.3384144 0.23594919 diethyl carbonate -1.0389125 -0.23365809 -0.8052544 sodium diethyldithiocarbamat-11.322449 -11.515789 0.19334003 diethylene glycol -4.2698975 -4.1060495 -0.16384766 diethylene glycol butyl ethe-3.869647 -4.2172346 0.34758782 diethylene glycol ethyl ethe-3.027267 -2.9558296 -0.071437284 diethylene glycol hexyl ethe-5.5777922 -5.2112541 -0.36653787 diethylene glycol methyl eth-2.6817446 -2.8300598 0.1483151 diethylenetriamine -2.6480217 -3.1266367 0.47861513 diethyl ether 0.829059 1.2267426 -0.39768359 di-2-ethylhexyl sebacate -9.6300592 -9.2609768 -0.3690829 diethyl malonate -2.7747948 -2.2414384 -0.53335643 diethyl phthalate -5.0245662 -4.8531432 -0.17142272 diethylstilbestrol -10.279447 -10.051336 -0.22811042 diethyl sulfate -2.8616695 -4.3607264 1.4990567 diethyl sulfide -0.17549351 -0.14087275 -0.034620758 diethyltoluamide -4.9805803 -4.8759222 -0.10465796 difenacoum -8.5686741 -10.267618 1.6989441 difenoconazole -11.654523 -12.336884 0.68236095 difenoxuron -9.9959307 -10.324291 0.32836029 difethialone -8.9876471 -9.1831198 0.19547257 diflubenzuron -11.538041 -11.842739 0.30469841 diflufenican -10.093369 -10.849726 0.75635749 diflumetorim -8.1335001 -9.3197317 1.1862321 diflunisal -9.4478903 -9.5085564 0.060666528 1,1-difluoroethane 1.8381559 2.2518799 -0.41372404 1,2-difluoroethane 0.96972519 2.2518799 -1.2821547 difunon -9.1111317 -9.0118704 -0.099261239 digoxin (digitalis) -32.374073 -31.581762 -0.79230839 dihydromyrcenol -2.973717 -2.900254 -0.073463015 dihydrotestosterone -10.017416 -9.3184156 -0.6990006 dihydroxyacetone -3.632375 -3.6215434 -0.01083155 3,4-Dihydroxyphenylalanine (-12.20143 -12.0015 -0.19993062 diiodomethane -2.3486848 -2.1794138 -0.16927111 3,5-Diiodotyrosine -13.721585 -14.268668 0.54708302 diisobutyl adipate -4.6616735 -5.0146503 0.3529765 diisobutyl ketone -1.9354967 -2.3915644 0.45606759 diisononyl phthalate -8.8893795 -9.1415672 0.25218779 diisooctyl adipate -7.1455851 -7.6630683 0.51748294 diisopropylamine -0.10528116 -0.89234012 0.78705895 diisopropyl ether 0.16387822 -0.67891043 0.84278864 DILAN -8.7727823 -10.019721 1.2469388 diloxanide -7.919066 -8.2006903 0.2816242 dimefox -3.1464565 -2.5099716 -0.6364848 dimfuron -12.170059 -12.78606 0.61600113 dimepiperate -7.8185115 -7.4865017 -0.33200988 dimethachlon -9.6028566 -6.9247546 -2.6781025 dimethachlor -7.3546801 -6.7778549 -0.57682502 dimethametryn -8.2610273 -8.9737644 0.7127375 dimethenamid -6.0012078 -6.7192631 0.71805513 dimethipin -8.7395372 -7.9374919 -0.80204552 dimethirimol -7.2793202 -7.5526991 0.27337894 dimethoate -7.4438314 -7.9785762 0.5347448 dimethomorph -10.720577 -11.00982 0.28924313 dimethoxyamphetamine -5.0281253 -5.1725082 0.14438322 1,2-dimethoxybenzene -2.4682634 -2.3782444 -0.090018928 1,2-dimethoxyethane -0.27355519 -0.034249287 -0.23930588 2,5-dimethoxy-4-methylamphet-5.5476494 -5.4577336 -0.08991567 2,5-dimethoxy-4-nitroampheta-7.198802 -7.1458368 -0.052965093 N,N-dimethylacetamide -1.63906 -1.2340704 -0.40498963 dimethylamine 1.4572737 0.84457451 0.61269915 3-(Dimethylamino)propylamine-1.009326 -2.0815244 1.0721983 4-Dimethylaminopyridine -2.0869236 -2.5032218 0.41629821 N,N-dimethylaniline -2.2382951 -1.7027568 -0.53553843 N,N-dimethylbenzylamine -2.3623216 -3.229511 0.86718935 2,2-dimethylbutane 0.56844789 0.28141081 0.28703707 2,3-dimethylbutane 0.43572506 0.45288047 -0.017155401 2,2-dimethyl-1-butanol -1.5652633 -0.84362906 -0.72163421 2,4-dimethyl-3-cyclohexen-1--2.7602818 -2.556283 -0.20399874 3,6 (and 4,6)-dimethylcycloh-2.6633716 -2.556283 -0.10708871 2,4-dimethylcyclohex-3-ene-1-2.7602818 -2.556283 -0.20399874 dimethyl disulfide -0.51609635 -1.0020518 0.48595554 N,N-dimethylethanolamine -1.4475973 -2.337647 0.89004958 N,N-dimethylethylamine 0.68244076 -0.031171504 0.71361226 N,N-dimethyl formamide -1.2761419 -0.7190358 -0.55710614 dimethyl fumarate -1.5755148 -2.2909195 0.71540481 2,5-dimethylfuran -0.56951106 -1.1730664 0.60355526 dimethyl hexynediol -4.1611838 -4.4113874 0.25020388 5,5-dimethylhydantoin -7.6604643 -8.2765875 0.6161235 dimethyl maleate -2.6815922 -2.2909195 -0.39067268 dimethyl malonate -0.95360798 -1.7879056 0.8342976 2,6-dimethyl-6-octanol -3.2081656 -2.900254 -0.30791169 dimethyl octynediol -5.2438302 -5.4189091 0.17507911 2,2-dimethylpentane 0.020353479 -0.073493332 0.093846813 2,3-dimethylpentane -0.1626166 -0.073493332 -0.089123257 2,4-dimethylpentane -0.10101531 -0.073493332 -0.027521977 3,3-dimethylpentane -0.083330326 -0.073493332 -0.0098369941 2,2-dimethyl-1-pentanol -2.1577637 -1.3632518 -0.7945118 2,4-dimethyl-1-pentanol -2.0481417 -1.3632518 -0.68488985 2,3-dimethylphenol -3.1375184 -2.8778253 -0.25969329 2,4-dimethylphenol -3.0783083 -2.7810774 -0.29723102 2,5-dimethylphenol -2.8937838 -2.7810774 -0.11270658 2,6-dimethylphenol -2.649158 -2.2374446 -0.41171333 3,4-dimethylphenol -3.5354586 -3.5040705 -0.031388059 3,5-dimethylphenol -3.4794536 -3.3247099 -0.15474348 dimethyl phthalate -4.7996325 -4.4360542 -0.36357853 dimethyl sulfone -1.2618899 -1.9228765 0.66098654 dimethyl sulfoxide -2.1074562 -0.60611379 -1.5013423 dimethyl terephthalate -4.3015022 -4.1220665 -0.17943563 N,N-dimethyltoluamine -2.3623216 -2.0128248 -0.34949684 dimethyl trisulfide -2.0726368 -2.7147527 0.64211571 N,N-dimethyltryptamine -6.2577095 -6.7658591 0.50814945 dimethylvinphos -7.5314555 -8.2661886 0.73473287 dimetilan -6.3678379 -6.9371042 0.5692665 diniconazole-M -6.9476194 -7.0496759 0.10205629 dinitramine -7.9518561 -7.9769878 0.0251319 2,4-dinitrofluorobenzene -4.8949714 -6.0179381 1.1229671 dinitrophenol -5.6739821 -5.5260339 -0.14794831 dinobuton -8.4721994 -8.4994526 0.027252652 dinocap -11.813353 -11.313848 -0.49950457 dinoseb acetate -5.6724548 -5.6724548 1.8349766E-12 dioctyl adipate -8.6394119 -7.6630683 -0.97634405 dioctyl phthalate -9.4393597 -8.5665998 -0.87275964 dioctyl sodium sulfosuccinat-13.311436 -13.52195 0.21051382 di-n-octyl sodium sulfosucci-18.501768 -18.291254 -0.21051382 diosmetin -13.28995 -13.876322 0.5863716 1,4-dioxacyclohexadecane-5,1-6.0865612 -7.6101379 1.5235767 1,4-dioxane -0.3640469 -0.764817 0.40077007 dioxathion -9.7169333 -10.423962 0.70702821 1,3-dioxolane 0.02796188 -0.39897978 0.42694166 diphacinone -12.51908 -12.567284 0.048203673 diphenamid -9.9018078 -8.2536612 -1.6481469 diphenhydramine -6.8389058 -7.6018357 0.76292986 Diphenylmethane -4.3115315 -4.7862973 0.47476557 5-diphophomevalonic acid -5.2582502 -5.2582502 2.717826E-13 dipropetryn -8.2030354 -8.8022947 0.59925979 di-n-propylamine -0.70190561 -0.89234012 0.1904345 dipropylene glycol -4.3296781 -3.7559388 -0.57373905 dipropylene glycol dibenzoat-8.8717251 -8.2485933 -0.6231311 dipropylene glycol methyl et-2.4304554 -3.2038898 0.77343452 dipropyl ether -0.21342804 -0.16433354 -0.049094491 dipropyl pyridine-2,5-dicarb-5.6613441 -5.2362638 -0.4250803 diquat -8.2789106 -7.2539678 -1.0249424 disopyramide -11.400438 -10.962509 -0.43792939 Disperse Blue 3 -13.663519 -13.170644 -0.49287453 Disperse Red 11 -11.138502 -10.482574 -0.65592819 disulfiram -5.5325079 -6.7728004 1.2402925 disulfoton -6.4493394 -5.4778242 -0.97151518 ditalimfos -10.075517 -9.5985708 -0.47694597 dithianon -8.7727537 -9.0183945 0.2456408 dithiopyr -8.0015001 -10.076345 2.0748458 diuron -9.528635 -8.1766052 -1.3520294 divinyl ether 0.98045301 0.20654954 0.77390349 m-divynylbenzene -2.2930121 -2.3384144 0.045402441 DNOC -6.2716274 -6.6655278 0.39390039 dodecamethylcyclohexasiloxan-4.2960758 -4.2960758 8.8817842E-16 dodecane -3.1009295 -2.9936364 -0.10729304 dodecylbenzenesulfonic acid -12.614562 -11.550234 -1.0643281 N-dodecyl methacrylate -5.3336124 -5.7137814 0.3801688 dodemorph -7.8931026 -7.4030232 -0.49007955 dodine -4.3695941 -5.0467544 0.6771602 domperidone -16.568584 -15.407288 -1.1612971 dopamine -6.7752337 -6.3020835 -0.47315028 dothiepin -8.8389854 -8.9942341 0.15524946 Dowcil biocide -10.777684 -10.744793 -0.032891143 Dowco 214 -6.8852754 -7.0760508 0.19077526 doxepin -8.2447557 -8.3178396 0.07308387 doxorubicin -26.781425 -26.35541 -0.42601627 doxycycline -25.495491 -25.881308 0.38581702 drazoxolon -7.7738266 -7.3351421 -0.43868446 drometrizole -9.4522581 -9.8389254 0.38666737 droperidol -13.273746 -13.650084 0.37633899 drostanolone -10.260787 -9.6259432 -0.63484383 DSMA -9.2646561 -7.4080267 -1.8566288 duvoglustat -9.4818373 -9.283061 -0.19877636 dymuron -10.898473 -10.991033 0.09256018 edifenphos -9.0604763 -8.608757 -0.45171985 eicosane -7.7864094 -6.9276557 -0.85875344 emetine -14.289087 -14.583567 0.29447937 empenthrin -6.4171548 -5.9515305 -0.46562409 emylcamate -2.3168366 -2.542567 0.22573049 enalaprilat -15.110676 -15.16913 0.05845467 enallypropymal -10.257294 -11.589444 1.3321511 endosulfan -9.3714046 -10.393588 1.0221837 endothall -12.073964 -12.430663 0.35669875 endothion -7.6923795 -9.6378241 1.9454447 endrin -8.1036358 -7.1540604 -0.94957572 enflurane 0.50563461 1.2176042 -0.71196949 enoxacin -14.823876 -14.217729 -0.60614741 enrofloxacin -15.276788 -13.916807 -1.3599811 ephedrine -5.2989821 -5.0565419 -0.24244016 epichlorohydrin -0.75135905 0.10230724 -0.85366631 epinephrine -8.3954382 -7.8656807 -0.52975792 epirizole -7.585042 -7.9464912 0.36144888 epiroprim -13.055497 -12.146958 -0.90853876 epirubicin -25.337246 -26.35541 1.018164 EPN -8.5345535 -9.273551 0.73899704 1,2-epoxycyclododecane -3.2154319 -3.3314342 0.11600221 EPTC -3.896939 -3.9321902 0.035251301 erbon -7.8243871 -8.1777668 0.35337946 erythritol -6.7120132 -7.0303779 0.31836462 esfenvalerate -11.447016 -10.887187 -0.55982852 esprocarb -7.5442133 -7.4739842 -0.070228934 estradiol -10.334771 -10.873816 0.53904462 estriol -13.462983 -12.923938 -0.53904462 estrone -10.035716 -8.6601067 -1.3756099 etaconazole -9.1468716 -9.1825686 0.035697296 ethalfluralin -6.5792694 -7.1517415 0.57247192 ethane 3.0202315 2.2518799 0.7683515 ethanethiol 0.93018758 0.53917921 0.39100838 ethanol 0.10968107 0.94186831 -0.83218724 ethanolamine -2.1795144 -0.52979404 -1.6497203 ethchlorvynol -3.1601167 -2.226016 -0.93410051 1-ethenyl-4-methylbenzene -1.8148096 -1.7373583 -0.077451199 ethephon -9.1685905 -8.8054152 -0.36317554 ethinyl estradiol -11.045335 -10.775321 -0.27001354 ethiofencarb -7.5045466 -7.7446871 0.24014077 ethion -8.4087353 -8.1885853 -0.22015038 ethiozin -7.4265003 -7.5726099 0.14610925 ethirimol -8.0196829 -8.5758896 0.5562067 ethisterone -10.877737 -11.222987 0.34524944 ethoate methyl -7.4199338 -7.7412963 0.32136282 ethofumesate -7.7666559 -7.287683 -0.47897255 ethoprop -5.8045979 -5.1472745 -0.65732324 ethopropazine -9.0933695 -9.390687 0.29731792 ethosuximide -8.4149055 -7.3493867 -1.065519 ethotoin -9.5665684 -10.004599 0.43803054 2-ethoxyethyl acetate -1.7518473 -1.1156943 -0.63615304 ethoxyquin -6.2164636 -5.9052854 -0.31117821 ethoxysulfuron -8.905674 -8.9366074 0.030933902 ethyl acetate 0.024444032 0.40048182 -0.37603781 ethyl acetoacetate -2.2222931 -2.1656439 -0.056649219 ethyl acrylate -0.41388488 -0.43269309 0.018808199 ethylbenzene -1.0436701 -1.5832387 0.53956866 ethyl benzoate -2.7500513 -2.8173146 0.067263432 2-ethyl-1-butanol -1.8246167 -1.5032231 -0.32139358 ethyl butyrate -0.95780826 -0.94920915 -0.008599095 ethyl cinnamate -4.7314525 -4.121201 -0.61025172 ethylcyclohexane -0.55835974 -0.93916214 0.38080239 ethylcyclopentane -0.14691155 -0.41643268 0.26952112 ethyl decanoate -3.8103223 -3.9717743 0.16145189 ethylene carbonate -3.9535391 -1.878314 -2.0752251 ethylenediamine -0.69965553 -0.90567023 0.20601472 ethylenediaminetetraacetic a-14.675914 -14.675914 -6.1461947E-13 ethylene dibromide -1.2245991 -0.98301613 -0.24158299 ethylene dichloride -0.098306134 0.46875831 -0.5670644 ethylene glycol -2.8290541 -2.8290541 8.8817842E-16 ethylene glycol butyl ether -2.1280077 -2.7291381 0.60113043 ethylene glycol dinitrate -3.3246756 -4.1021247 0.77744883 ethylene glycol ethyl ether -1.2297019 -1.4396535 0.20995164 ethylene glycol methyl ether-0.90360159 -0.93424839 0.030646792 ethylene glycol monoethyl et-1.7518473 -1.1156943 -0.63615304 ethylene glycol propyl ether-1.5234636 -2.2126222 0.6891585 ethylene glycol n-hexyl ethe-3.4574246 -3.7512374 0.2938126 ethylene oxide 1.4733294 1.1111909 0.36213857 ethylene thiourea -7.7038774 -8.2257395 0.52186233 ethyl ether 0.86087132 1.2267426 -0.36587134 ethyl formate 0.51950085 0.75669199 -0.2371911 ethyl heptanoate -2.3667679 -2.4768913 0.11012352 ethyl hexanoate -1.9658415 -1.9713082 0.0054667001 2-ethylhexanoic acid -3.6818449 -3.3202052 -0.36163959 2-ethyl-1-hexanol -2.9811287 -3.2489345 0.26780587 2-ethylhexyl methacrylate -3.4164779 -3.6136577 0.1971797 ethyl hydrocinnamate -3.8707292 -4.121201 0.25047168 ethyl isobutyrate -0.6601845 -0.94920915 0.28902465 ethyl isovalerate -1.1954496 -1.3041133 0.10866376 ethyl lactate -1.498305 -1.6558789 0.15757388 ethyl laurate -4.637619 -4.950141 0.31252202 ethyl maltol -5.9851537 -5.0180206 -0.96713334 ethylmorphine -11.281208 -12.361865 1.0806563 ethyl myristate -5.5572901 -4.46278 -1.09451 ethyl nitrite 0.91696638 0.74551421 0.17145222 ethyl octanoate -2.9118791 -2.9788299 0.066951014 2-(1-ethylpentyl)-1,3-dioxol-3.06007 -2.5144596 -0.54561061 2-ethylphenol -2.9022171 -3.7411628 0.83894557 3-ethylphenol -3.3879385 -3.8579035 0.46996489 4-ethylphenol -3.5163655 -3.8579035 0.34153783 ethyl phenylacetate -3.42295 -3.6229064 0.19995642 ethylphenyl ether -1.902217 -1.6644722 -0.2377449 ethyl tributylcitroate -7.9467015 -8.1909237 0.2442224 ethyl valerate -1.4332864 -1.462081 0.028794507 etilevodopa -8.8598576 -8.3234987 -0.53635895 etobenzanid -9.3330345 -9.8630829 0.53004843 etofenprox -10.743845 -10.300261 -0.44358477 etomidate -8.2088947 -7.6987062 -0.51018864 etoposide -25.041405 -25.039186 -0.0022177061 etoxazole -10.340714 -9.2862453 -1.0544684 etridiazole -6.4045639 -5.9932022 -0.41136143 etrimfos -6.562696 -6.6193485 0.056652837 eucalyptol -1.9094325 -2.900254 0.99082142 EXD -6.8725958 -7.2126789 0.34008312 famotidine -12.748568 -12.800592 0.052025333 famoxadone -10.89205 -13.530306 2.6382565 famphur -8.3787651 -8.5025005 0.12373561 fampridine -5.4421473 -3.2329009 -2.2092464 FD&C Yellow #6 -24.490511 -24.33481 -0.15569961 L-FDDC -9.6286173 -9.661953 0.033335652 felodipine -9.941123 -9.9920855 0.050962448 fenaminosulf -14.64418 -14.64418 6.2172489E-13 fenamiphos -8.4819202 -8.4820604 0.00014001181 fenapanil -9.4351892 -9.2407322 -0.19445771 fenarimol -9.2190094 -10.217059 0.99804962 fenazaquin -10.079715 -9.9723291 -0.10738573 fenbuconazole -9.9591541 -11.061438 1.1022834 fenbutin oxide -13.766994 -13.837459 0.070464857 fencamfamine -5.698597 -5.6917076 -0.0068893326 fenchlorphos -6.6321297 -6.414463 -0.21766658 fenclorim -6.3980327 -6.6579828 0.25995025 fenethazine -8.1695023 -7.9218097 -0.24769226 fenfluramine -3.7512834 -4.6104565 0.85917288 fenfuram -9.127492 -7.1143351 -2.0131564 fenitrothion -6.7104225 -7.4454789 0.7350564 fenobucarb (BPMC) -6.1611648 -6.7179642 0.55679953 fenoldopam -12.836976 -12.673321 -0.16365485 fenoprop -7.4318256 -8.1604023 0.72857714 fenothiocarb -8.3067894 -8.3311272 0.024338519 fenoxaprop-P-ethyl -10.081283 -9.1005144 -0.98076802 fenoxycarb -10.666107 -10.01368 -0.65242684 fenpiclonil -10.869703 -10.584086 -0.28561768 fenpropathrin -7.8045363 -9.0768156 1.272279 fenpropidin -6.2395687 -6.7565422 0.51697379 fenpropimorph -7.24405 -8.2041903 0.96014041 fenson -8.2474041 -8.1335611 -0.11384293 fensulfothion -6.7900414 -7.3324471 0.54240602 fentanyl -10.803455 -10.354277 -0.44917873 fenthion -7.4233279 -5.9760284 -1.4472991 fentiazac -12.287758 -13.055744 0.76798648 fentrazamide -11.969772 -11.920809 -0.04896336 fenuron -6.6413217 -6.7793894 0.13806781 fenvalerate -11.447016 -10.887187 -0.55982852 ferbam -12.183395 -10.1174 -2.0659959 ferimzone -9.9154062 -9.5835466 -0.3318598 ferulic acid -7.8584309 -7.6278563 -0.23057467 finasteride -13.697822 -13.540834 -0.15698721 fipronil -11.193436 -11.247411 0.053975545 flamprop -10.616476 -10.09529 -0.52118623 flamprop-isopropyl -9.9686613 -9.6119699 -0.3566913 flamprop-methyl -9.4325666 -8.5568132 -0.875754 flavone -7.3681469 -8.7196693 1.3515224 flecainide -10.754609 -10.515294 -0.23931468 fleroxacin -14.550364 -14.902439 0.35207474 flocoumafen -14.734403 -14.200817 -0.5335862 floxacillin -17.434179 -17.741861 0.30768192 floxuridine -15.338173 -14.699203 -0.63897055 fluazifop -9.0661545 -9.7977018 0.73154765 fluazifop butyl -8.9686832 -10.167408 1.1987245 fluazifop-P-butyl -9.1891289 -10.167408 0.97827893 fluazinam -10.797691 -11.354182 0.55649143 fluazolate -9.7975616 -11.175818 1.3782567 fluazuron -14.750054 -15.341152 0.59109783 flubenzimine -7.6194239 -7.5495644 -0.069859363 fluchloralin -7.2288327 -6.7793632 -0.44946951 flucythrinate -10.715071 -11.067477 0.35240674 flucytosine -5.1117501 -5.5930805 0.48133042 fludarabine -16.886972 -16.747692 -0.13928196 fludiazepam -9.9559736 -9.988656 0.032682709 fludioxonil -10.927881 -11.213499 0.28561768 fludrocortisone -15.362782 -14.974364 -0.38841754 flufenacet -8.7309694 -9.3807964 0.64982772 flufenamic acid -8.1590004 -8.5695906 0.41059062 flufenprox -11.665019 -11.433699 -0.23132072 flumazenil -11.562749 -11.562749 -4.5119464E-13 flumequine -9.0278578 -9.5525169 0.52465898 flumetasone -15.579807 -15.726383 0.14657557 flumethasone pivalate -16.254862 -15.892896 -0.36196652 flumetralin -9.2447948 -8.9814529 -0.26334202 flumetsulam -14.068202 -13.834095 -0.23410684 flumiclorac pentyl -14.470751 -13.608809 -0.86194158 flumioxazin -8.1673632 -8.1673632 1.5063506E-12 flunarizine -11.38157 -11.453772 0.072202392 flunitrazepam -11.091075 -11.892671 0.80159575 fluocinolone acetonide -15.655577 -15.803123 0.1475455 fluocinonide -15.393128 -14.700542 -0.69258577 fluometuron -8.3936396 -7.3206263 -1.0730133 fluoranthene -7.3411188 -7.815289 0.47416985 fluorbenside -6.4845862 -5.6090746 -0.87551159 fluorchloridone -7.9757609 -6.974473 -1.0012879 fluorene -5.4424882 -5.2813001 -0.1611879 9-fluorenone -6.4983263 -6.5170503 0.018724071 fluoroacetamide -1.8907239 -0.52979404 -1.3609298 fluoroacetic acid -0.78510273 -0.36814332 -0.41695943 fluorobenzene -0.095084429 -0.27705035 0.18196592 fluorodifen -8.8111076 -9.49512 0.68401188 fluoroform 2.7025981 2.7964754 -0.093877338 fluoromethane 1.9229635 2.7964754 -0.87351203 fluorometholone -11.913875 -12.922986 1.0091107 fluoromide -9.4593229 -7.1182504 -2.3410726 p-fluorotoluene -0.71964884 -0.60992843 -0.1097204 fluorouracil -7.6860466 -7.867599 0.18155275 fluoxetine -7.0889864 -7.0889864 2.3119284E-12 fluoxymesterone -11.716642 -12.130357 0.41371453 flupentixol -14.616783 -15.146148 0.52936399 fluphenazine -14.632365 -14.1945 -0.4378657 flupoxam -9.4873781 -9.4873781 5.5084826E-12 fluquinconazole -12.894106 -13.005372 0.11126587 flurazole -9.0405493 -8.3584623 -0.68208671 flurbiprofen -8.0955648 -8.4552164 0.3596513 fluridone -9.5285778 -9.9312191 0.40264165 flurochloridone -7.9757609 -6.974473 -1.0012879 fluroxene 0.35574794 0.46383798 -0.10809004 fluroxypyr -12.953234 -12.953234 7.8159701E-14 fluroxypyr-butometyl -9.9140291 -10.624036 0.71000701 fluroxypyr-meptyl -10.560592 -10.673658 0.11306666 flurprimidol -8.9334259 -8.9344778 0.0010520265 flurtamone -9.0245018 -9.0394936 0.014991714 flusilazole -9.0217009 -8.6168308 -0.40486962 fluspirilene -15.590824 -16.871572 1.280748 flusulfamide -11.186826 -10.768493 -0.4183329 flutamide -8.395896 -8.4053841 0.0094880341 fluthiacet-methyl -11.086382 -10.808437 -0.27794471 flutolanil -7.3857384 -9.0144825 1.6287442 flutriafol -11.001836 -11.27978 0.27794471 fluxofenim -6.0360208 -6.1147742 0.078753576 folic acid -22.117174 -22.351887 0.23471254 folpet -7.4808269 -9.4286251 1.9477985 fonofos -5.8625555 -5.3515382 -0.51101726 forchlorfenuron -11.856033 -11.224802 -0.63123095 formaldehyde 2.1120298 1.4797128 0.63231689 formamide -2.8682549 -2.8682549 1.5987212E-13 formetanate HCl -6.1558323 -6.4091244 0.25329188 formic acid -0.03356855 0.1629502 -0.19651875 formothion -8.4576797 -6.558857 -1.8988225 fosamine ammonium -7.6308155 -7.3638468 -0.26696882 fosthiazate -7.8290324 -8.4907675 0.661735 fosthietan -6.3069148 -6.3069148 1.7408297E-13 fthalide (phthalide) -10.082186 -10.082186 5.5599969E-13 fuberidazole -10.435939 -10.435939 1.6147084E-12 fumaric acid -5.8771839 -4.0124164 -1.8647674 furalaxyl -8.7588606 -8.2491693 -0.50969172 furan 0.94520324 0.78181565 0.16338755 2(5H)-furanone -1.9329607 -1.2500747 -0.68288606 furathiocarb -10.1157 -9.9464006 -0.16929898 furazolidone -7.9374909 -8.5139408 0.57644969 furconazole-cis -9.5978689 -9.7696934 0.17182441 furfural -1.638229 -1.1749694 -0.46325967 furfuryl alcohol -2.2070212 -2.3264296 0.11940855 furfurylamine -1.3851966 -2.0889053 0.70370889 furilazole -9.7496004 -9.7496004 2.0072832E-13 2-furoic acid -3.0366771 -2.4647279 -0.57194924 furosemide -12.010251 -12.601544 0.59129405 furtrethonium -9.6746197 -9.0586872 -0.61593294 gabapentin -11.765218 -11.765218 6.3415939E-12 beta-D-galactose -9.995553 -9.6075602 -0.38799271 gallic acid -9.1551809 -8.8911295 -0.26405153 ganciclovir -18.950542 -18.570278 -0.38026544 genite -8.8828325 -8.6973553 -0.18547715 Gentian violet -16.406488 -16.293253 -0.11323661 gentisic acid -7.8656125 -8.4144621 0.54884976 geosmin -4.9303412 -4.0714188 -0.85892224 gibberellic acid -15.225647 -15.225647 -3.0375702E-13 gliotoxin -16.393126 -16.138592 -0.25453329 glipizide -18.212687 -18.541821 0.32913503 alpha-D-glucose -9.995553 -9.6075602 -0.38799271 beta-D-glucose -9.995553 -9.6075602 -0.38799271 beta-D-glucouronic acid -11.419446 -11.419446 -1.4779289E-12 glucuronic acid -11.419446 -11.419446 -1.4779289E-12 glutamine -9.8860044 -10.934775 1.0487707 glutaraldehyde -2.2223208 -1.9395577 -0.28276318 glutethimide -11.163767 -10.880882 -0.28288478 glycerol -5.7388968 -5.2168145 -0.52208209 glycine -8.7682152 -8.7682152 1.2434498E-13 glycine betaine -8.3448801 -9.2641258 0.91924608 glycylglycine -9.4638834 -9.4638834 1.4210855E-14 glyodin -10.706778 -11.434479 0.72770047 glyoxal 0.6428656 -0.36814332 1.011009 glyoxylic acid -1.85578 -1.6781549 -0.17762502 glyphosate -11.76716 -12.295011 0.52785027 glyphosine -15.598559 -14.906034 -0.69252497 griseofulvin -10.565632 -10.856057 0.29042506 guaiacol -3.0810325 -3.6451683 0.56413585 guaifenesin -8.1152639 -7.6493673 -0.46589664 guanine -12.197046 -12.333325 0.13627894 halazepam -9.993535 -10.01449 0.020954957 halfenprox -10.912384 -10.764011 -0.14837198 halometasone -16.250284 -15.623142 -0.62714148 halothane 0.18472746 -0.25712889 0.44185635 haloxyfop methyl -7.7735009 -9.041851 1.2683496 harmine -7.5302339 -7.7752476 0.24501352 HCH -5.5698037 -4.9761405 -0.59366316 hemel -5.8529472 -5.8376784 -0.015268987 hempa -3.5905578 -4.5782056 0.98764789 phenylmercury acetate -7.7491298 -7.9987197 0.24958964 heptabarbital -14.330234 -14.07052 -0.25971314 heptachlor -5.9699483 -6.9046402 0.93469208 n-heptane -0.33807799 -0.41643268 0.078354679 1-heptanol -2.7307212 -2.7962656 0.065544322 2-heptanol -1.9752699 -2.4204848 0.44521481 3-heptanol -2.1959434 -2.0228457 -0.17309745 2-heptanone -1.4709874 -1.6926891 0.22170161 heptenophos -5.2917647 -5.0637712 -0.22799362 1-heptyne -0.26284093 -0.41643268 0.15359174 hesperetin -13.158158 -13.796338 0.63818008 1,2,5,6,9,10-hexabromocyclod-9.1352091 -9.7745399 0.6393311 hexachloroacetone -3.332855 -4.9005589 1.5677037 hexachlorobenzene -7.1991663 -6.3914795 -0.80768681 hexachlorophene -12.596593 -12.409501 -0.18709202 hexaconazole -9.6221142 -8.9713335 -0.65078098 hexadecane -5.1995792 -4.9898009 -0.20977814 hexaflumuron -9.0173998 -9.1758432 0.1584439 1,1,1,3,3,3-hexafluoro-2-pro-0.026739895 0.40766811 -0.43440801 hexamethyldisilazane -1.0679733 -0.54940075 -0.51857251 hexamethylphosphoramide -3.5905578 -4.5782056 0.98764789 hexanal -0.94757557 -1.1730664 0.22549075 n-hexane 0.24363416 0.10994114 0.13369302 hexanoamide -4.4884486 -4.1606903 -0.32775867 1-hexanol -2.04176 -2.2766428 0.2348827 2-hexanol -1.6131088 -1.900862 0.28775322 3-hexanol -1.327163 -1.5032231 0.17606007 2-hexanone -0.92147279 -1.1730664 0.25159356 1-hexene 0.34909505 0.10994114 0.23915392 2-hexene 0.24225454 0.10994114 0.1323134 hexobarbital -12.880612 -12.880612 -4.0856207E-13 hexyl acetate -2.0383923 -1.9111019 -0.12729031 hexylene glycol -3.9585471 -3.0259018 -0.93264526 1-hexyne 0.21900536 0.10994114 0.10906422 hexythiazox -10.141043 -10.141043 2.0818902E-12 histamine -5.6995091 -5.0559192 -0.64358985 histidine -10.413312 -10.677759 0.26444712 HU-210 -13.736683 -13.736683 2.5632829E-12 hydantoin -7.1269879 -7.7136731 0.58668506 hydralazine -7.3312478 -8.0166235 0.68537623 hydramethylnon -10.386621 -10.386621 -7.5210949E-12 hydrastine -12.80474 -13.100526 0.29578587 hydrochlorothiazide -11.353218 -11.996181 0.6429618 hydrocinnamic acid, 3,5-di-t-15.19603 -15.077385 -0.11864507 hydrocinnamonitrile -3.626451 -3.5724504 -0.054000549 hydrocortisone -15.428893 -15.383545 -0.045347795 hydrocortisone 17-butyrate -16.114569 -16.875313 0.76074576 hydrocortisone 21-butyrate -16.100708 -15.734397 -0.36631116 hydrogen 5.789 5.789 -6.2172489E-15 2-hydroxybiphenyl -4.9299107 -6.4779968 1.548086 2-hydroxyethyl methacrylate -3.0140171 -3.3850064 0.37098935 2-hydroxyethyl octyl sulfide-5.5064445 -5.4954638 -0.010980675 17-hydroxyprogesterone -11.551537 -10.797018 -0.75451881 4-Hydroxyproline -10.935832 -11.03522 0.099388182 hydroxypropyl methacrylate -3.8164172 -3.0306447 -0.78577256 8-hydroxyquinoline sulfate -4.941699 -6.0302477 1.0885484 8-hydroxyquinoline sulfate -17.267019 -17.938604 0.67158473 hydroxyurea -4.4955034 -2.5971916 -1.8983121 hymecromone O,O-diethyl phos-9.1183252 -8.8029184 -0.31540674 hymecromone -7.3861585 -7.4797177 0.093559168 hymexazol -4.995995 -2.7529044 -2.2430906 ibufenac -6.0663567 -6.3458357 0.27947903 ibuprofen -6.0449104 -6.6657372 0.6208269 idoxuridine -17.519724 -17.187147 -0.3325772 ifosfamide -6.9425263 -6.3095884 -0.63293797 imazalil -8.3991966 -8.5472002 0.14800352 imazamethabenz-methyl (meta)-10.406796 -10.348226 -0.058571063 imazamethabenz-methyl (para)-10.406796 -10.348226 -0.058571063 imazapic -13.550479 -13.315844 -0.23463589 imazapyr -13.164218 -13.226509 0.062291302 imazaquin -15.48036 -15.652704 0.17234458 imazosulfuron -12.086797 -11.70013 -0.38666737 imibenconazole -11.808388 -11.260926 -0.54746145 imidazole -3.1702173 -3.1657875 -0.0044297311 imipramine -8.2630606 -9.4318562 1.1687957 imiprothrin -10.372563 -9.46978 -0.90278429 improsulfan -9.0481157 -8.8877525 -0.1603626 inabenfide -8.8550272 -11.780005 2.924978 indanofan -10.231429 -11.017151 0.78572148 indecainide -11.609434 -11.295554 -0.31387967 indene -2.0236232 -2.3744845 0.35086131 indigo -14.464461 -14.400236 -0.064225376 indole -3.9823384 -4.4308186 0.44848037 indoleacetic acid -7.5224767 -7.8086696 0.28619313 indole-3-butyric acid -8.2397842 -8.5077267 0.26794228 indomethacin -12.558392 -12.612688 0.054297116 indoprofen -11.067128 -10.874431 -0.19269782 myo-inositol -10.943871 -11.71336 0.76948929 iodobenzene -2.284327 -2.7649949 0.48066792 2-iodobenzoic acid -6.0978022 -6.4312449 0.33344293 iodofenphos -8.69946 -7.8188376 -0.88062263 iodoform -3.9931395 -4.6673584 0.67421883 iodomethane 0.45535758 0.30853093 0.14682668 ioxynil -9.4293833 -8.3197193 -1.109664 ipazine -6.6975737 -8.6263933 1.9288194 ipconazole -9.9258242 -9.8131981 -0.11262611 iprobenfos -8.0981455 -8.1365891 0.038442865 iproclozide -8.3597279 -8.3966475 0.036918737 iprodione -10.94466 -12.176188 1.231528 iproniazid -7.1198153 -7.480536 0.36072069 ipronidazole -6.0551391 -6.3558736 0.30073446 IPSP -6.8586202 -7.3397384 0.48111811 isatin -7.1223502 -7.1521559 0.029805873 isazophos -6.5570159 -7.2391024 0.68208671 isoamyl acetate -1.3663397 -1.243907 -0.12243269 isoamyl benzoate -3.8688674 -3.9540811 0.085213557 isoamyl formate -0.88032681 -0.89862984 0.018303068 isoascorbic acid -11.849596 -11.972805 0.12320913 isobenzan -8.1491823 -8.6311703 0.48198858 isobutane 1.6523389 1.3450915 0.30724731 isobutavan -5.3467851 -6.1115999 0.76481473 isobutyl acetate -0.81459826 -0.73103523 -0.083563052 isobutylamine 0.27577716 -0.20264117 0.47841832 isobutyl formate -0.40598541 -0.54008138 0.13409595 isobutyl isobutyrate -1.5224782 -1.7711593 0.24868098 3-isobutyl-2-methoxypyrazine-3.676584 -4.3339915 0.65740752 isobutyl propionate -1.3036234 -1.4198995 0.11627608 isobutyl 2-quinoline -5.1538119 -5.8653774 0.71156526 isobutyraldehyde 0.38010994 -0.12288772 0.50299764 isobutyric acid -1.6872933 -1.4193972 -0.26789603 isobutyronitrile -0.32492846 -0.37411085 0.049182378 isocarboxazid -9.151865 -10.14333 0.99146461 isocaryophyllene -4.1963935 -4.1532869 -0.043106377 isocyclemone E -5.3698769 -4.8405795 -0.52929723 isocyclocitral -2.784533 -2.900254 0.11572097 isocyclogeraniol -3.5254283 -2.900254 -0.62517434 isocytosine -7.8667212 -8.7399197 0.87319833 isodurene -2.4305418 -1.6307486 -0.79979318 isoeugenol -4.2153416 -5.1023479 0.88700581 isofenphos -8.0611601 -7.9810615 -0.080098733 isoflurane 0.50563461 -0.31917408 0.82480866 isoflurophate -2.5024617 -3.2854316 0.78297001 isoleucine -9.9907103 -8.9721918 -1.0185176 isoniazid -6.4706168 -5.3840079 -1.086609 isonicotinamide -5.4635253 -5.5552225 0.091697425 isonicotinic acid -4.1931858 -4.6067204 0.413535 isonipecotic acid -10.868051 -10.494805 -0.37324551 isooctane -0.30798891 -0.073493332 -0.23449558 isophorone -2.4990189 -2.3915644 -0.1074545 isophorone diamine -4.0550756 -4.3684897 0.31341398 isophytol -11.708604 -11.708604 3.8546943E-13 isopiperitenol -3.4500792 -3.7186143 0.26853505 isoprene 0.90714723 0.81142896 0.095718242 isoprocarb -6.96385 -6.6328254 -0.33102474 isopropalin -7.0133142 -7.125308 0.11199347 isopropanol -0.12175031 0.40766811 -0.52941841 isopropryl acetate -0.22809282 -0.62977517 0.40168235 isopropylamine 0.99179798 0.14767483 0.84412313 isopropyl ether 0.16387822 -0.67891043 0.84278864 isopropyl methoxy pyrazine -3.129287 -3.8526998 0.72341281 isoprothiolane -4.3076162 -4.3076162 -9.4413366E-13 isoproturon -9.9217358 -8.1002693 -1.8214663 isosafrole -3.812037 -3.7979219 -0.014115142 isosorbide dinitrate -5.7078094 -5.7796702 0.071860753 isosorbide-5-mononitrate -6.1823573 -6.0386357 -0.14372151 isothioate -5.3741636 -6.1806216 0.80645788 isouron -8.7415915 -8.287199 -0.45439163 isovaleraldehyde -0.2361614 -0.48508057 0.24891917 isovaleric acid -2.3656771 -2.7600114 0.39433429 isoxaben -10.905672 -10.998843 0.093171023 isoxaflutole -10.680389 -10.923093 0.24270318 isoxapyrifop -11.434195 -11.237495 -0.19669881 isoxathion -8.1495876 -7.62712 -0.5224672 isoxazole -0.18120122 -0.97588974 0.79468852 isoxicam -16.540468 -16.869858 0.32938966 itraconazole -22.432327 -22.575201 0.14287452 jiecaoxi -9.1681519 -8.3823748 -0.78577644 juglone -7.4388094 -7.4215865 -0.017222997 kadethrin -9.9749546 -10.036822 0.061867632 kanamycin A -25.168072 -23.955868 -1.212203 karbutilate -9.2005825 -10.867066 1.6664841 karsil -8.2420044 -7.9099035 -0.33210117 ketanserin -15.52885 -16.498886 0.97003627 ketene 2.3934336 0.94186831 1.4515653 ketoconazole -17.655571 -17.653534 -0.0020371964 ketoprofen -8.8347359 -8.3327637 -0.50197238 knockbal -5.0612283 -6.5599966 1.4987683 kojic acid -7.6460915 -6.8519287 -0.79416245 kresoxim-methyl -10.260466 -9.3257904 -0.93467551 labetalol -15.474985 -15.046254 -0.42873007 lactic acid -3.0445037 -2.198853 -0.84565067 lactofen -10.778472 -10.748539 -0.029932857 lactose -18.626429 -18.698557 0.072127454 lauramide DEA -10.632436 -10.79011 0.1576733 lauramide MEA -10.568695 -9.605382 -0.9633134 lauramine oxide -9.5660734 -9.0465984 -0.51947463 lauryl alcohol -5.3418593 -5.3397141 -0.0021450543 lauryl pyrrolidinone -7.6762691 -6.8007889 -0.87548 lawsone -8.6809921 -7.0357475 -1.6452446 lead acetate -5.6537223 -5.3439617 -0.3097603 leptophos -10.238157 -9.1579962 -1.0801609 L-leucine -9.9907103 -8.9721918 -1.0185176 levallorphan -9.1805334 -10.074254 0.89372021 levobunolol -10.74843 -10.356213 -0.39221764 levodopa -12.20143 -12.0015 -0.19993062 levomeproma -9.5526705 -9.7426481 0.18997775 levonorgestrel -11.900345 -11.380955 -0.51939076 levorphanol -8.3934889 -9.4793081 1.0858189 lidocaine -8.3363838 -7.9118266 -0.42455673 lidoflazine -15.448554 -15.604965 0.15641153 DL-limonene -1.9439138 -1.6307486 -0.31316516 D-limonene -1.9439138 -1.6307486 -0.31316516 linalool -2.9840662 -2.9840662 1.1226575E-12 lincomycin -19.481962 -19.584284 0.10232281 lindane -6.8403163 -4.9761405 -1.8641757 linolenic acid -8.712285 -9.022541 0.31025633 linuron -8.2409811 -8.5025549 0.26157328 liothyronine -18.222486 -18.314562 0.092076764 lobeline -12.584685 -12.12608 -0.45860592 lofentanil -12.558114 -12.621006 0.062891938 lomefloxacin -14.869016 -15.530888 0.66187179 lomustine -7.3642912 -6.2838264 -1.0804647 looplure -4.7419705 -4.8899345 0.14796434 loratadine -11.389902 -12.171376 0.78147376 lorazepam -14.606307 -12.082719 -2.5235882 lovastatin -14.479822 -14.773097 0.29327488 loxapine -10.068422 -10.424976 0.35655442 luteolin -13.659428 -14.327039 0.66761154 macbal -5.6970415 -5.9551363 0.25809512 Magenta I -11.654196 -11.579369 -0.074827269 Malachite green -15.172978 -15.140076 -0.032902997 malathion -7.9900327 -7.5113306 -0.47870171 maleic anhydride -2.9914527 -2.7159069 -0.27554595 maleic hydrazide -7.6070509 -6.8092632 -0.79778796 malonic acid -4.841177 -4.689146 -0.1520309 maltol -5.3957129 -3.8358293 -1.559884 maltose -18.626429 -18.698557 0.072127454 mancozeb -12.398798 -11.789958 -0.60883939 mandelic acid -6.9673901 -6.6671319 -0.30025822 D-mannitol -10.568492 -10.606065 0.037573639 D-mannose -9.995553 -9.6075602 -0.38799271 MCPA -7.5314789 -6.8121367 -0.71934247 mebendazole -12.743495 -12.768318 0.024822852 mechlorethamine -0.37963456 -2.0390694 1.6594348 medazepam -8.1041565 -8.6920452 0.5878883 mefenacet -10.793461 -9.4409027 -1.3525578 mefenpyr-diethyl -9.8970757 -9.1808863 -0.7161895 mefluidide -10.111531 -9.8741407 -0.23739026 melevodopa -8.4270678 -8.1286535 -0.29841462 meloxicam -17.51638 -17.376213 -0.14016721 melphalan -12.007419 -12.025088 0.017669361 memantine -3.6972446 -3.9027903 0.20554581 MEMC -5.4699998 -4.9708204 -0.49917927 menazon -8.460124 -9.0124521 0.55232805 methyl levulinate -1.9022001 -2.3667457 0.46454552 mepanipyrim -7.3498316 -7.7489004 0.39906895 meparfynol -1.2716647 -1.0083477 -0.26331705 meperidine -6.555028 -7.2004042 0.64537609 mephenate -4.3489537 -4.4993176 0.15036407 mephenytoin -9.7591429 -10.331846 0.57270366 mepindolol -10.723362 -11.214217 0.49085525 mepivacaine -9.0530577 -8.6951427 -0.35791475 meprobamate -4.8546276 -4.7054033 -0.14922422 mepronil -8.8282032 -8.9976215 0.16941845 6-mercaptopurine -8.0269756 -8.3772879 0.35031202 merphos -7.173882 -5.9309788 -1.2429029 mescaline -5.816925 -5.5292745 -0.28765079 mesitylene -1.6853822 -1.1153079 -0.57007438 mesoridazine -12.689562 -12.448133 -0.24143 1-(3-chlorophenyl)piperazine-5.643292 -5.8363132 0.19302124 metahexamide -12.219125 -12.082232 -0.13689311 metalaxyl -8.1036654 -7.6221762 -0.48148945 metamitron -10.49622 -9.1638012 -1.3324187 metam sodium -10.455046 -10.455046 3.2152059E-13 metconazole -9.5201998 -9.2551203 -0.26507995 methabenzthiazuron -9.2918234 -9.4744396 0.18261591 methacrylic acid -1.9392847 -1.4193972 -0.51988745 methallatal -11.756943 -11.84392 0.08697705 methamidophos -6.6018114 -6.6018114 1.2700951E-13 methamphetamine -2.9616394 -3.9009004 0.93926072 methane 4.4631557 4.4631557 1.4122037E-13 methanethiol 1.4968323 1.0561414 0.44069085 methanol 0.59811133 1.4797128 -0.88160151 metharbital -11.447698 -11.140613 -0.30708486 methazolamide -9.5196762 -9.1118069 -0.40786949 methenamine -4.5446181 -5.0994716 0.55485356 methidathion -7.9528131 -8.8663025 0.91348922 methiocarb -8.9213715 -7.6036534 -1.3177185 L-methionine -8.4552603 -9.906827 1.4515667 methomyl -7.4776473 -6.9624839 -0.51516312 methoprene -7.1190743 -8.2149668 1.0958928 methoprotryne -8.9787016 -9.407732 0.42903051 methotrexate -21.337303 -21.184919 -0.1523841 methotrimeprazine -9.5526705 -9.7426481 0.18997775 2-methoxyaniline -3.1873205 -2.8678727 -0.31944773 4-methoxyaniline -4.3122592 -3.2071381 -1.1051211 methoxychlor -8.1269636 -8.6788349 0.5518719 methoxyflurane -0.52626556 -1.2107348 0.68446934 1-Methoxy-2-hydroxypropane -0.85788637 -1.0822723 0.22438592 2-methoxy-3-isobutyl-pyrazin-3.676584 -4.3339915 0.65740752 2-(methoxymethyl)-5-nitrofur-3.5527651 -4.7466731 1.193908 1-methoxynaphthalene -4.2837601 -4.2465158 -0.037244208 o-methoxyphenol -3.0810325 -3.6451683 0.56413585 methoxypromazine -9.4040833 -9.2566662 -0.14741686 1-Methoxy-2-propanol acetate-1.5277771 -1.3846313 -0.14314575 methoxypyrazine -1.8376946 -2.4507203 0.61302572 methsuximide -7.6294513 -7.1884665 -0.44098508 methyclothiazide -12.565545 -12.960611 0.39506578 methyl acetate 0.46478853 -0.73762488 1.2024134 methylal 0.71855789 1.2342486 -0.51569074 methylamine 1.9311111 1.2021792 0.7289319 2-methylaniline -2.5421236 -2.515316 -0.02680748 3-methylaniline -2.548526 -2.7260389 0.17751285 4-methylaniline -2.5736027 -2.7260389 0.15243627 N-methylaniline -2.5528474 -2.3902085 -0.16263875 methyl benzoate -2.5541945 -2.4395096 -0.11468477 methyl-bis-thiocyanate -4.8200626 -3.6660919 -1.1539706 methyl bromide 1.2320927 1.1302978 0.10179493 2-methylbutane 0.98003054 0.81142896 0.16860159 2-methyl-1-butanol -1.4510239 -1.3775948 -0.073429145 2-methyl-2-butanol -0.71986926 -0.48508057 -0.23478867 3-methyl-1-butanol -1.5704302 -1.588657 0.018226838 methyl butyrate -0.49992725 -0.56047106 0.06054379 2-methylbutyric acid -2.3180482 -2.4018874 0.083839186 methyl caprate -3.7019556 -3.6049023 -0.097053252 methyl caproate -1.5439847 -1.5898589 0.045874164 methyl cinnamate -3.5378792 -3.7506845 0.21280523 methyl cyanoacrylate -2.1447685 -1.8784571 -0.26631144 methylcyclohexane -0.32925174 -0.41643268 0.08718092 methylcyclopentane 0.2148163 0.10994114 0.10487515 methyldopa -12.443881 -12.443881 -4.6007642E-13 3-O-methyldopa -11.194361 -10.098684 -1.0956767 a-methyldopa -12.443881 -12.443881 -4.6007642E-13 methylene bisphenyl diisocya-7.6993752 -7.6096749 -0.089700058 methylene bis(thiocyanate) -4.8200626 -3.6660919 -1.1539706 methylene blue (oxidized for-9.3399448 -9.3399448 3.7765346E-12 methylene chloride 0.70949316 1.0051262 -0.29563311 methylestrenolone -9.9247007 -9.9327888 0.0080882087 methyl ether 1.9849864 1.1065869 0.87839943 methyl formate 0.98939461 -0.21017572 1.1995703 N-methylglycine -8.732336 -8.732336 -1.563194E-12 2-methyl-2-heptanol -2.3194828 -2.0439489 -0.27553403 2-methyl-2-heptene -0.79958153 -0.76769245 -0.031889088 2-methylhexane -0.18129188 -0.24496301 0.06367112 3-methylhexane -0.2119607 -0.24496301 0.033002295 methyl hexanoate -1.5439847 -1.5898589 0.045874164 5-methyl-2-hexanone -1.296399 -1.5279704 0.2315715 5-methyl hydantoin -7.4381785 -7.7874699 0.34929147 methyl hydrazine -0.089382231 -0.39211705 0.30273482 1-methylimidazole -2.3122742 -1.9586725 -0.3536016 2-methylimidazole -3.7382429 -2.349859 -1.3883839 4-methylimidazole -3.7382429 -3.3797927 -0.35845026 1-methylindole -3.4102426 -3.8446112 0.4343687 2-methylindole -4.3374953 -4.0160809 -0.3214145 5-methylindole -4.3374953 -4.4599228 0.12242724 7-methylindole -4.3374953 -4.6174827 0.27998722 methyl iodide 0.45535758 0.30853093 0.14682668 methyl isoamyl ketone -1.296399 -1.5279704 0.2315715 methyl isobutyl ketone -0.70180094 -1.0083477 0.30654675 methyl isobutyrate -0.31628287 -0.56047106 0.24418819 methyl isocyanate 0.78533745 -0.36507544 1.1504129 methyl isopropyl ketone -0.31188211 -0.48508057 0.17319846 3-methylisoquinoline -4.1772242 -4.2907372 0.1135129 methylisothiocyanate -1.3149625 -0.67395562 -0.64100695 methyl laurate -4.7172346 -4.5905576 -0.12667665 methyl methacrylate -0.41501144 -0.56047106 0.14545961 1-methyl-3-(4-methylpent-3-e-4.7124515 -4.7338505 0.021398988 1-methylnaphthalene -3.326776 -3.7737055 0.44692963 methyl nitrate 0.36857519 0.36857519 2.2148949E-14 methyl nitrite 1.4318864 1.4318864 4.7517545E-14 N-methylolacrylamide -5.6929879 -5.6929879 1.1812773E-13 methyl oleate -7.6733193 -7.4600601 -0.21325952 methyl paraben -5.8074856 -4.8030314 -1.0044539 2-methylpentane 0.38893968 0.28141081 0.10752886 3-methylpentane 0.34341082 0.28141081 0.062000006 2-methyl-2,4-pentanediol -3.9585471 -3.0259018 -0.93264526 2-methyl-1-pentanol -1.7260069 -1.900862 0.1748551 2-methyl-2-pentanol -1.0748096 -1.0083477 -0.066461869 2-methyl-3-pentanol -1.2785257 -1.0083477 -0.27017805 3-methyl-2-pentanol -1.2785257 -1.0083477 -0.27017805 3-methyl-3-pentanol -1.2642332 -1.0083477 -0.25588554 4-methyl-1-pentanol -1.7788591 -2.1119242 0.33306503 4-methyl-2-pentanol -1.2850322 -1.7361432 0.45111114 methylphenidate -6.5977769 -6.4709473 -0.12682958 3-methylphenol -2.9925494 -3.1669459 0.17439666 methyl phenoxyacetate -3.4423802 -3.6097915 0.1674114 methyl phenylacetate -2.9617186 -3.2487459 0.28702715 1-methylpiperidine -0.70856088 -1.2352794 0.52671856 methylprednisolone -15.980098 -15.446991 -0.53310704 2-methylpropane 1.6523389 1.1736218 0.478717 2-methyl-1-propanol -0.84872168 -0.12288772 -0.72583395 2-methyl-2-propanol -0.26031655 0.041830905 -0.30214748 2-methylpropene 1.6146405 1.3450915 0.26954895 (3Z)-1-[(2-methyl-2-propenyl-2.2339437 -2.0562398 -0.17770381 methyl propionate -0.020692579 -0.040310606 0.019618025 2-(2-Methylpropoxy)naphthale-5.3015919 -5.3508515 0.049260028 N,N'-bis(1-methylpropyl)-1,4-5.1499596 -6.119957 0.96999735 methyl propyl ether 0.79754198 0.94878387 -0.15124188 4-Methyl-2-propyl-1,3-oxathi-3.1149209 -2.475019 -0.6399017 2-methylpyridine -0.91981989 -1.6969928 0.77717286 4-methylpyridine -1.207862 -1.4287752 0.22091311 N-methylpyrrole -0.57865691 -0.72078246 0.14212555 N-methyl pyrrolidinone -2.4583597 -2.8868322 0.4284724 Methyl Red -9.2718401 -10.182176 0.9103362 methyl salicylate -3.6469395 -4.7970643 1.1501247 methyl stearate -7.3413739 -7.4600601 0.11868592 methyl sulfide 0.90743566 0.71064889 0.19678676 methyl tert-butyl ether 0.4527615 -0.48508057 0.93784207 17-methyltestosterone -10.213447 -10.297877 0.08443062 methyl thiocyanate -0.78118038 -0.67395562 -0.10722481 methyltrichlorosilane 0.048205674 0.10945167 -0.061246 methyl D-tyrosinate -6.5572858 -7.0697594 0.51247364 methyprylon -7.1626348 -7.1389022 -0.023732765 metipranolol -10.465182 -9.816184 -0.64899892 metiram -10.184843 -10.397459 0.21261643 metobenzuron -7.3353643 -7.5426164 0.20725209 metobromuron -7.9363203 -8.1881828 0.25186259 metoclopramide -10.813087 -10.618846 -0.19424132 metolachlor -6.9560323 -7.5799999 0.62396783 metolcarb -5.184526 -6.14501 0.96048361 metominostrobin -9.3234262 -9.5 0.17657392 metoxuron -6.849978 -7.8861771 1.0361993 metribuzin -8.6924725 -7.9988699 -0.6936028 metronidazole -8.7490635 -7.8238478 -0.92521542 metsulfovax -10.252069 -9.4044504 -0.8476181 mevastatin -14.251158 -14.480146 0.22898938 mevinphos -6.2606087 -5.1757259 -1.0848826 mexacarbate -5.9155116 -6.5163045 0.60079294 mibolerone -10.24509 -10.297877 0.05278733 milbemectin A3 -12.734152 -12.909014 0.17486201 minaprine -11.224321 -10.835685 -0.38863689 minocycline -25.118574 -25.080374 -0.038198888 minoxidil -9.3077974 -10.70267 1.394873 mirex -8.833663 -9.0957642 0.26210064 mitolactol -10.30096 -10.30096 5.3290705E-15 mitomycin C -11.692914 -11.179791 -0.51312286 mitotane -8.2173443 -7.2995157 -0.91782796 mitoxantrone -22.53388 -21.220217 -1.3136638 molinate -4.524313 -4.9149556 0.39064285 monalide -7.9143167 -7.3015456 -0.61277092 monensin -25.312281 -25.094707 -0.2175723 monocrotophos -8.0101452 -6.7744832 -1.2356616 monolinuron -6.1555982 -7.6376281 1.4820297 monosodium glutamate -15.659949 -15.134643 -0.52530724 moracizine -14.129858 -14.741779 0.61192119 morin -16.03161 -14.85434 -1.1772708 morphine -11.227439 -11.65871 0.43127158 morpholine -0.93576866 -1.4837134 0.54794472 moxestrol -11.796916 -12.362558 0.5656423 moxisylyte -7.0021086 -8.0031214 1.0010124 MPTP -4.2632146 -4.8426499 0.57943547 MSMA -4.9998646 -7.4080267 2.4081626 muscalure -6.9608645 -8.3427811 1.3819165 muscimol -5.5889244 -4.7092886 -0.87963611 mustard gas -3.1601467 -1.9239944 -1.2361524 myclobutanil -8.2564001 -9.6599026 1.4035021 myrcene -1.8310494 -1.6307486 -0.20030078 myristalkonium chloride -12.009548 -12.269285 0.25973731 myristicin -4.4735136 -4.7533441 0.27983034 myristyl alcohol -6.2897687 -6.331583 0.041814443 NAA -7.068563 -6.890317 -0.17824639 nabam -14.431964 -14.082349 -0.34961492 nabumetone -7.053093 -7.295712 0.24261945 nadolol -13.138306 -13.767155 0.62884843 nalidixic acid -8.8144484 -9.4596252 0.64517665 naloxone -12.886622 -12.241146 -0.64547712 naltrexone -13.419289 -12.533152 -0.88613611 nandrolone -9.8905697 -9.0072432 -0.88332599 naphazoline -9.4986248 -9.739377 0.2407527 naphthalene -3.1783292 -3.2978449 0.11951569 1-naphthaleneacetic acid -7.068563 -6.890317 -0.17824639 2-naphthaleneacetic acid -7.068563 -6.2830181 -0.78554511 naphthalic anhydride -8.6821175 -8.159584 -0.52253336 1-naphthol -2.158838 -5.3601608 3.2013228 2-naphthoxyacetic acid -7.5084934 -7.6983466 0.1898528 1-naphthylamine -4.5346847 -4.8346305 0.29994583 2-naphthylamine -5.7476211 -5.1738958 -0.57372516 beta-naphthyl methyl ether -4.2837601 -4.1773534 -0.10640661 naproanilide -13.142151 -11.383652 -1.7584997 naproxen -8.085721 -8.5235777 0.43785602 naptalam -13.007942 -12.432153 -0.57578897 naphthoquinone -5.9437723 -5.3592706 -0.5845015 1-napthyl salicylate -7.6247544 -9.0859728 1.461218 narceine -14.518447 -15.058392 0.53994477 narcobarbital -13.174139 -12.768325 -0.40581417 naringenin -12.295062 -12.425598 0.13053653 nealbarbital -13.230934 -13.314875 0.083940201 neburon -8.4352398 -8.3616257 -0.073613964 nialamide -13.532672 -12.257888 -1.274784 nicardipine -14.427927 -12.963528 -1.464399 niclosamide -13.341479 -13.165558 -0.17592081 nicotinamide -5.4635253 -5.5552225 0.091697425 nicotine -3.6303172 -5.3535285 1.7232112 nicotinic acid [niacin] -7.3343878 -4.6067204 -2.7276671 nifedipine -10.170251 -9.7784643 -0.39178675 nifuroxime -6.4866529 -6.4143591 -0.072293416 nifurpirinol -10.304933 -10.894526 0.58959299 nikethamide -5.5807047 -5.2480111 -0.33269367 nimetazepam -11.14594 -11.217014 0.071074374 nimodipine -11.914034 -11.704317 -0.20971601 nimorazole -8.4090605 -8.9935942 0.58453369 nimustine -10.163797 -10.935529 0.77173126 nipecotic acid -10.868051 -10.494805 -0.37324551 niridazole -8.7929726 -9.2990093 0.50603604 nitralin -10.569772 -10.480333 -0.089438789 nitrapyrin -4.6821294 -4.8757176 0.19358848 nitrazepam -11.769659 -12.047864 0.2782045 nitrendipine -10.564155 -10.57976 0.01560454 nitric acid 0.00061049545 -1.914305 1.9149154 2-nitroaniline -4.697763 -5.4985495 0.80078661 3-nitroaniline -6.1597848 -6.0803523 -0.079432458 4-nitroaniline -7.6350927 -6.0803523 -1.5547404 nitrobenzene -2.7010965 -3.2939453 0.5928489 3-nitrobenzoic acid -6.653626 -6.7487416 0.095115647 4-nitrobenzoic acid -7.8198791 -6.7487416 -1.0711377 2-nitrobenzonitrile -4.8341231 -4.1993632 -0.63476002 1-nitrobutane -1.4346762 -1.1082578 -0.32641828 2-nitrobutane -1.1217779 -2.7529044 1.6311266 nitroethane -0.55736196 -1.732693 1.175331 nitrofen -7.5503287 -7.5577455 0.0074166064 nitrofurantoin -11.932796 -10.8908 -1.0419961 nitrofurazone -7.6624651 -8.2323761 0.56991106 nitroglycerine -5.9412026 -5.9412026 -7.0610184E-13 nitroguanidine -11.017303 -11.017303 7.8159701E-14 nitromethane -0.2317145 -1.2171206 0.98540616 nitromide -9.1314068 -9.5255861 0.39417937 2-nitrophenol -3.0902498 -3.238198 0.14794831 3-nitrophenol -5.967237 -5.6392117 -0.32802525 4-nitrophenol -6.1525455 -5.6392117 -0.5133338 2-nitro-p-phenylenediamine -5.4368715 -7.7537084 2.3168364 1-nitropropane -0.94549865 -2.2446208 1.2991222 2-nitropropane -0.71429157 -2.2446208 1.5303293 5'-nitro-2'-propoxyacetanild-9.159502 -9.3571472 0.19764465 1-nitrosopyrrolidine -3.2223394 -3.0041275 -0.21821165 nitroxoline -7.9507017 -7.5027733 -0.44792846 nonacosane -11.977988 -11.074635 -0.90335363 nonanal -2.584779 -2.7210016 0.13622263 n-nonane -1.4596744 -1.4582472 -0.0014271346 1-nonanol -3.8030665 -3.824578 0.021511471 nonylphenol -6.3690252 -6.3103161 -0.05870894 norbornane -0.4644863 -0.41643268 -0.048053626 norcamphor -1.721817 -1.6926891 -0.029127954 norcarane -0.62506539 -0.41643268 -0.20863274 nordefrin -8.4663315 -7.8656807 -0.60065109 norepinephrine -8.3150311 -7.4644761 -0.85055465 norethisterone -10.610872 -10.919104 0.30823109 norfloxacin -14.673623 -14.217729 -0.45589423 norflurazon -10.021469 -9.2067146 -0.81475365 norgestrel -11.494738 -11.06502 -0.42971849 L-norleucine -10.315041 -9.1301594 -1.1848811 normetanephrine -7.8899941 -7.0597558 -0.83023828 normorphine -11.384216 -10.709359 -0.6748569 noruron -7.1139612 -8.0240364 0.91007465 L-norvaline -9.856513 -8.6291647 -1.227348 nuarimol -9.6228542 -9.607832 -0.015022363 ochratoxin A -18.086317 -18.164505 0.078187957 beta-ocimene -1.7061107 -1.6307486 -0.075362042 octachloro-dibenzo-p-dioxin -14.746003 -14.434863 -0.31114012 octachloronaphthalene -10.564628 -10.946129 0.38150182 octadecane -5.8728833 -5.9660172 0.093133636 octafluorocyclobutane 1.0699822 1.1736218 -0.1036396 n-octane -0.9085151 -0.93916214 0.030647 octanoic acid -4.5895925 -4.6299849 0.04039238 1-octanol -3.2148471 -3.3122439 0.09739697 2-octanol -2.7308521 -2.9364631 0.20561095 3-octanol -2.7064276 -2.5388243 -0.1676033 4-octanol -2.6219072 -2.8689809 0.2470738 2-octanone -1.9775585 -2.2086675 0.23110898 2-octenal -2.1665113 -2.2086675 0.042156219 octopamine -6.7872267 -6.3988314 -0.38839552 N-octyl bicycloheptene dicar-7.1846342 -8.291626 1.1069914 n-octyl isothiazalone -6.7631817 -6.1845713 -0.57861054 octyl methoxycinnamate -7.1012297 -6.9830899 -0.11813938 1-octyne -0.90858972 -0.93916214 0.030572418 ofloxacin -15.367588 -15.712613 0.34502447 ofurace -9.2737103 -9.0856581 -0.18805236 Oil Yellow DE -9.4768162 -8.7112808 -0.76553476 oleandomycin -27.305988 -27.665926 0.35993648 oleandrin -21.203424 -20.617023 -0.58639991 oleyl alcohol -6.4603872 -8.2715883 1.8112015 omeprazole -14.576411 -14.597355 0.020943413 omethoate -6.9342895 -7.7397971 0.80550778 Orange I -21.247772 -20.303356 -0.94441557 Orange G -22.259262 -20.867773 -1.3914875 orbencarb -6.4427176 -7.1906776 0.74796009 ornidazole -10.005188 -9.1423111 -0.86287749 ornithine -11.075754 -9.9471512 -1.1286031 ouabain -27.982964 -28.563976 0.58101255 oxabetrinil -7.7660151 -6.662158 -1.1038572 oxacillin -16.862431 -17.216614 0.35418198 oxadiargyl -10.258795 -9.5873795 -0.67141533 oxadiazon -9.4888363 -9.8446684 0.35583144 oxadixyl -10.045003 -8.8891706 -1.1558324 oxalic acid -5.585176 -5.585176 -1.1546319E-14 oxamic acid -8.2830973 -8.2830973 2.8421709E-14 oxamide -9.1420126 -9.1420126 5.3290705E-15 oxamyl -5.9792008 -6.2407126 0.26151186 oxapropanium iodide -9.8089581 -9.3367252 -0.47223321 oxaprozin -11.22179 -10.934227 -0.28756323 oxazole 0.28136131 -0.3588194 0.64018071 oxepane -0.76512557 -0.66509867 -0.10002688 oxetane 0.74655676 0.66165197 0.08490482 oxindole -6.0037251 -5.9897633 -0.01396191 oxirane 1.4733294 1.1111909 0.36213857 oxolinic acid -9.7403002 -10.285573 0.54527277 oxprenolol -8.9296284 -8.7030811 -0.22654705 oxybenzone -8.2060757 -7.2710075 -0.93506825 2,2-oxybis-ethanol dibenzoat-3.5150857 -6.5672297 3.0521438 oxycarboxin -9.8069782 -10.906689 1.0997106 oxydemeton methyl -6.9365544 -7.648561 0.71200645 oxydisulfoton -6.9006643 -6.7878356 -0.11282858 oxyfluorfen -9.163866 -8.7612743 -0.40259144 oxymorphone -12.059065 -11.853025 -0.2060395 oxytetracycline -26.677263 -26.862326 0.18506238 oxythioquinox -9.0686922 -8.4499378 -0.61875468 paclobutrazol -10.592939 -9.2717648 -1.3211739 pantothenic acid -12.287805 -12.212035 -0.075769469 papaverine -10.656178 -10.543579 -0.11259833 paraldehyde -1.0796704 -3.1342151 2.0545447 paramethadione -6.7063751 -6.7513075 0.044932473 paraoxon -8.3982248 -8.1853724 -0.21285237 paraquat -9.2700682 -8.2066784 -1.0633891 parathion -7.6394749 -7.9113746 0.27189985 PCNB -4.3399181 -4.4790411 0.13912286 pebulate -3.3612478 -4.6420302 1.2807825 pefurazoate -7.8516464 -8.0042458 0.15259914 PEG-6 -10.346926 -10.083289 -0.26363653 pelargonic acid -4.9817929 -5.1825919 0.20079924 penconazole -8.2494335 -8.4147778 0.16534419 pencycuron -7.2438793 -8.3243437 1.0804647 pendimethalin -6.9720316 -6.9199128 -0.052118737 d-penicillamine -8.3764944 -9.906827 1.5303326 penicillic acid -5.1000538 -5.3769927 0.27693924 pentacene -10.872837 -11.429883 0.55704618 pentachloroethane -1.7618356 -2.205924 0.44408855 pentachlorophenol -6.3839693 -6.3550267 -0.028942505 pentadecane -4.7918501 -4.4962263 -0.2956236 pentaerythritol tetranitrate-9.3663197 -8.9775953 -0.38872442 1,5-pentanediol -4.4265537 -4.1467104 -0.27984294 n-pentane 0.85277444 0.63995934 0.21281515 pentanochlor (solan) -8.0333462 -7.3516898 -0.68165654 1-pentanol -1.6027558 -1.7533756 0.15061983 2-pentanol -1.1591372 -1.3775948 0.21845749 3-pentanol -1.0021789 -0.64979923 -0.35237968 2-pentanone -0.38612813 -0.64979923 0.2636711 3-pentanone -0.35879004 -0.64979923 0.29100916 pentasodium pentetate -17.246925 -17.467867 0.22094178 pentifylline -11.636065 -11.569822 -0.066242799 pentobarbital -11.874595 -13.009234 1.1346403 pentoxifylline -12.358136 -12.424378 0.066242799 pentyl butyrate -2.4441645 -2.2767422 -0.16742216 pentylenetetrazole -3.7601764 -5.1500082 1.3898317 pentyl propanoate -1.6026636 -1.9291269 0.32646316 1-pentyne 0.80627102 0.63995934 0.16631171 pent-2-yne 0.53969651 0.63995934 -0.10026278 perazine -10.526475 -10.978248 0.45177197 perflubutane 0.92657816 1.1736218 -0.24704365 perfluidone -7.6247911 -7.8621426 0.23735142 perfluoroheptane -0.70578498 -0.41643268 -0.2893523 perfluorohexane -0.19050549 0.10994114 -0.30044663 perfluoro(2-methyl-3-pentano-0.02261732 -1.0083477 0.98573041 perfluorooctanoic acid -4.1173749 -3.478173 -0.639202 pericyazine -14.957534 -13.905869 -1.0516652 permethrin -10.253995 -9.9899588 -0.26403672 perphenazine -15.152987 -13.978006 -1.1749804 alpha-phellandrene -1.9881175 -1.6307486 -0.35736883 beta-phellandrene -1.9328483 -1.6307486 -0.3020997 phenacemide -9.299511 -8.1641064 -1.1354043 phenacetin -8.4132376 -8.4132376 3.1121772E-12 phenalene -5.1033683 -4.4854565 -0.61791182 phenallymal -14.430669 -14.714597 0.2839278 phenamiphos -8.4819202 -8.4820604 0.00014001181 phencapton -8.6981239 -9.0020676 0.30394393 phenelzine -3.4483836 -4.5545344 1.1061509 phenethyl alcohol -3.1483889 -3.9563205 0.80793172 phenethylamine -2.6091769 -3.0688865 0.45970958 phenformin -8.009078 -7.0774994 -0.93157887 phenindione -7.8165841 -7.7332664 -0.083318092 phenobarbital -14.069233 -14.261384 0.1921514 phenol -2.4295385 -2.922925 0.49338648 phenolphthalein -14.674174 -13.689349 -0.98482502 phenol red -14.755637 -14.343521 -0.41211683 phenoperidine -13.135448 -12.502553 -0.63289511 phenothiol -6.1899958 -6.4545908 0.26459524 d-phenothrin -9.3892546 -8.927084 -0.46217102 phenoxyethanol -4.2952633 -4.303864 0.0086011216 phenprobamate -4.8749461 -4.557508 -0.31743777 phenprocoumon -12.558314 -11.740182 -0.8181321 phensuximide -8.5349731 -7.7453156 -0.78965807 phentermine -3.191556 -3.9009004 0.70934439 phenthoate -8.0906324 -7.2046976 -0.88593513 phenylacetaldehyde -2.4863963 -2.8527441 0.36634776 phenylacetic acid -4.5541945 -4.6461258 0.091931522 phenyl acetylsalicylate -6.0741835 -6.5107875 0.4366039 L-phenylalanine -9.5504971 -10.190084 0.63958699 phenyl aminosalicylate -8.932107 -8.458744 -0.47336355 phenylboronic acid -7.1535888 -7.1535888 7.3718809E-14 phenylbutazone -12.016288 -11.252745 -0.76354289 1-methoxy-3-phenylpropane -2.8691878 -3.5467894 0.67760158 m-phenylenebis(methylamine) -3.6570041 -4.4466538 0.78964996 p-phenylenediamine -4.3349891 -4.346818 0.011828901 N-phenylglycine -5.332458 -5.9032421 0.57078379 phenylmercuric acetate -7.7491298 -7.9987197 0.24958964 phenylmethylbarbituric acid -13.67703 -13.804528 0.12749787 5-phenylpentan-2-one -3.7049394 -4.3788133 0.67387378 3-phenylpropanol -3.7648959 -4.4686546 0.70375866 phenylpropanolamine -5.2415147 -4.7280922 -0.51342279 phenylpropyl ether -2.3945394 -2.2648957 -0.12964369 2-phenylpyridine -4.7436848 -5.2169309 0.47324586 3-phenylpyridine -4.7436848 -5.0772557 0.33357087 phenyl salicylate -7.4185982 -6.9505944 -0.46800342 phenytoin -12.322648 -12.357896 0.035247829 phorate -5.6107359 -5.2094646 -0.40127122 phosalone -9.9085245 -9.9490376 0.040513694 phosdiphen -5.9244037 -6.0893078 0.16490436 phosgene 1.1570892 -0.31163639 1.4687257 phosmet -8.8112659 -9.0294046 0.21813928 phosphamidon -7.2591538 -8.7126007 1.4534472 phosphonoacetic acid -8.3220873 -8.6852627 0.36317554 phosphoric acid -3.5140755 -1.9493394 -1.5647362 phoxim -7.2759604 -7.5196958 0.24373524 picene -10.872837 -11.122961 0.25012434 picolinic acid -4.1931858 -4.7328935 0.5397079 picric acid -8.484952 -7.8966036 -0.58834815 pilocarpine -8.0561171 -7.5696692 -0.48644805 pimozide -14.868302 -14.791979 -0.076323889 pindolol -10.305076 -11.693347 1.3882713 pindone -7.4399767 -7.7225008 0.28252414 alpha-pinene -1.4575518 -1.6307486 0.17319676 beta-pinene -1.6673778 -1.6307486 -0.036629211 pipamazine -14.098982 -12.87443 -1.2245526 pipamperone -12.597747 -11.976283 -0.62146413 piperacillin -24.321228 -24.281898 -0.039328184 piperidine -0.42363206 -0.89225215 0.46862009 piperine -9.341382 -8.5241613 -0.81722111 piperonyl butoxide -9.1144733 -9.1600027 0.045529522 piperonyl cyclonene -9.1554337 -8.1884012 -0.96703303 piperophos -9.1681156 -8.7336855 -0.43443045 piperylone -10.232679 -11.094417 0.86173761 pipobroman -9.3010721 -8.3159018 -0.98517036 piprotal -12.035193 -11.773949 -0.26124415 piracetam -7.1193137 -6.3231144 -0.79619914 pirimiphos ethyl -6.0605183 -6.9959359 0.93541765 pirimiphos methyl -7.3086519 -7.4510322 0.14238015 piritramide -15.780934 -15.490146 -0.29078925 plifenate -6.8009171 -7.4633207 0.66240364 podophyllotoxin -16.696228 -15.791505 -0.90472406 prednisolone -15.484922 -15.146752 -0.33817026 prednisone -14.847651 -14.552115 -0.29553559 pregnenolone -10.487469 -10.882998 0.39552873 prenyl acetate -1.8289967 -1.243907 -0.58508974 prochloraz -8.0196066 -9.2086716 1.1890651 prochlorperazine -11.500878 -11.449589 -0.051289987 procymidone -6.5569563 -7.888238 1.3312813 L-proline -10.484821 -10.567324 0.08250276 promethazine -7.4410801 -8.4150801 0.97399998 prometon -7.9909873 -8.0337133 0.042726148 propachlor -5.4564209 -5.673924 0.21750301 propamocarb -7.4965353 -5.2622228 -2.2343125 propane 2.2099509 1.7109287 0.49902228 1,3-propanediol -3.2368865 -3.1027453 -0.13414121 1,3-propanedithiol -1.3352954 -1.6592059 0.32391047 1,3-propanesultone -2.6554654 -3.7569284 1.1014631 1-propanethiol 0.30865884 0.025861382 0.28279746 2-propanethiol 0.56080687 0.025861382 0.53494549 1-propanol -0.4565869 0.40766811 -0.86425501 2-propanol -0.12175031 0.40766811 -0.52941841 propargyl alcohol -0.5555222 -0.55490881 -0.00061337778 propazine -9.2438707 -8.3600283 -0.88384253 propenal 0.57357246 0.40766811 0.16590436 propene 2.3149869 1.7109287 0.60405827 propham -4.0772524 -5.8470612 1.7698085 propiconazole -8.2332335 -9.4617548 1.2285215 propionic acid -1.3218905 -0.89559245 -0.42629802 propionitrile -0.065171659 0.14767483 -0.21284649 propoxur -7.3347416 -7.2014155 -0.13332622 1-propoxy-2-propanol -1.8420415 -2.1953897 0.35334826 propranolol -9.8317776 -9.7517471 -0.080029748 propyl acetate -0.45403531 -0.37248671 -0.081548601 n-propyl 4-aminobenzoate -5.3421865 -4.9388976 -0.40328869 n-propylbenzene -1.5458078 -2.1023238 0.55651593 propylene carbonate -3.3557389 -2.4376984 -0.91804051 propylene glycol -2.7707355 -0.89559245 -1.8751431 propylene glycol diacetate -2.4426191 -2.6986132 0.25599399 R-(+)-propylene oxide 0.96679401 0.53466004 0.432134 S-(-)-propylene oxide 0.96679401 0.53466004 0.432134 propylidynetrimethyl trimeth-6.3926725 -6.5979671 0.20529456 propylparaben -5.5114307 -5.5605187 0.049088072 propyne 2.0317645 1.7109287 0.32083589 pulegone -3.0925679 -2.900254 -0.19231391 pyrazophos -8.3416538 -8.1392841 -0.20236948 pyrene -7.6526375 -7.7461267 0.093489073 pyrethrin I -7.208931 -8.5239449 1.3150133 pyrethrin II -8.9544859 -9.6546822 0.70019686 pyridine -0.58007818 -1.2792436 0.69916546 pyridoxine hydrochloride -9.5062084 -9.4701281 -0.036079798 pyrifenox -7.3146811 -8.778676 1.4639955 pyroquilon -7.1593599 -5.6468511 -1.512509 pyrrole -0.98152113 -1.331502 0.34998092 pyrrolidine -0.16176751 -0.37411085 0.21234332 2-pyrrolidone -3.952657 -3.3987229 -0.55393404 quinine -12.323548 -11.88974 -0.43380836 quinoline -3.3329356 -4.0272403 0.69430494 quinuclidine -1.869918 -1.5746623 -0.29525566 raffinose -27.401752 -27.692825 0.29107261 trigonelline -4.6378746 -4.6378746 -1.4299673E-13 saccharin -8.4532919 -7.7277155 -0.72557676 safrole -3.3611724 -3.7979219 0.43674958 salicylic acid -6.2264156 -6.3743191 0.14790344 salvinorin A -12.301465 -13.294449 0.99298412 sarcosine -8.732336 -8.732336 -1.563194E-12 sarin -1.6900319 -1.2614297 -0.42860222 SC-0224 -1.0831331 -1.0831331 -1.5321078E-13 L-serine -9.4173241 -9.4173241 -2.3803182E-13 siduron -10.763995 -9.654747 -1.1092477 simazine -9.9601831 -7.651752 -2.3084314 sodium acetate -8.063942 -8.372077 0.30813485 sodium cacodylate -9.7431564 -10.292097 0.54894066 sodium glycolate -11.305615 -10.393434 -0.91218138 sodium laureth-2-sulfate -17.165781 -17.165781 3.0233593E-12 sodium methanearsonate -9.3343182 -7.4080267 -1.9262912 sorbic acid -2.9225719 -2.4560738 -0.4664982 sorbitol -10.568492 -10.606065 0.037573639 sotalol -10.710837 -11.026881 0.31604412 sparteine -6.1170316 -6.9072857 0.79025394 spironolactone -13.109108 -12.485059 -0.62404925 spiropentane 0.82765001 0.63995934 0.18769071 stearyl alcohol -8.0007553 -8.2715883 0.27083361 styrene -1.2114356 -1.5832387 0.37180308 succinic anhydride -4.8241992 -2.7159069 -2.1082921 sucrose -18.822571 -18.085609 -0.73696041 Sudan Red G -10.645838 -11.314552 0.66871446 sulfanilamide -7.3726854 -7.3403516 -0.032334156 sulfaquinoxaline -12.00045 -11.464152 -0.53629839 sulfentrazone -11.538816 -11.651771 0.11295465 sulfolane -4.2873616 -3.0768311 -1.2105304 sulindac -12.480031 -12.700048 0.22001715 sultopride -12.795954 -13.087244 0.29129085 symclosene -9.2692947 -7.7606616 -1.5086331 synephrine -6.8768644 -6.8768644 3.4106051E-13 L-tartaric acid -9.0060596 -9.156189 0.15012911 tebuconazole -10.49925 -9.5473061 -0.95194405 tebufenozide -10.194904 -10.446675 0.25177032 terbucarb -6.846477 -6.6533861 -0.19309118 terbumeton -8.0516853 -8.0337133 -0.017971694 terbutaline -9.3526993 -10.513206 1.1605066 terpineol acetate -3.8157327 -3.852921 0.037188314 alpha-terpineol -3.5618458 -2.900254 -0.66159177 beta-terpineol -3.5861261 -4.0514569 0.46533069 terpinolene -2.2632568 -1.6307486 -0.63250804 2-tert-butylcyclohexyl aceta-3.4222302 -3.852921 0.43069091 4-tert-butylcyclohexyl aceta-3.7232602 -3.852921 0.12966092 2-tert-butylphenol -6.0005927 -4.4327493 -1.5678433 4-tert-butylphenol -3.5957589 -4.54949 0.95373112 1,2,3,4-tetrachlorobenzene -3.7321067 -4.0851974 0.35309055 1,2,3,5-tetrachlorobenzene -3.4708438 -3.7525597 0.28171575 1,2,4,5-tetrachlorobenzene -4.6017728 -3.7525597 -0.84921336 tetrachloroethylene -0.95242119 -1.3143634 0.36194214 tetraconazole -7.4914379 -7.728076 0.23663783 tetradecane -4.233017 -3.9990075 -0.23400977 1-tetradecene -4.1169481 -3.9990075 -0.11794096 tetraethylene glycol -6.6208253 -7.1238246 0.50299895 tetraethylenepentamine -8.3740358 -7.3385835 -1.0354527 tetraethyllead -3.208755 -3.5185153 0.3097603 tetraethyl orthosilicate -2.04456 -3.1100044 1.0654445 1,1,1,2-tetrafluoroethane 1.6893791 2.2518799 -0.56250083 tetrahydrofuran 0.35157883 0.21575737 0.13582148 tetrahydrofurfuryl methacryl-3.0241165 -2.8224211 -0.20169535 tetramethrin -7.6702943 -8.4449396 0.77464509 tetramethylsilane 0.91057473 1.6880308 -0.7774561 1,1,3,3-tetramethylurea -0.92201924 -2.8411222 1.9191029 thiabendazole -10.701631 -11.234907 0.5332762 thioctic acid -2.3372386 -2.5917718 0.25453329 thiodiglycol -4.577776 -4.968049 0.39027312 thiopental -12.041961 -11.487741 -0.5542196 thiophene -0.023486182 -0.48381209 0.4603259 thiophenol -1.7564809 -2.1363025 0.37982154 thiophosphoryl chloride -1.0153207 -1.1143898 0.099069059 thiram -7.1428895 -5.7698846 -1.3730047 thioridazine -10.001804 -11.386101 1.3842968 L-threonine -9.4642344 -9.4642344 -1.2079227E-13 thymine -7.9768839 -8.5553503 0.578466 thymol -4.8342609 -3.8534145 -0.98084658 thyrotropin-releasing hormon-20.783167 -20.783167 -6.7146289E-13 tiapride -11.848018 -11.238247 -0.60977024 toclofos methyl -5.8554535 -5.7801595 -0.075293981 tolazamide -11.4639 -12.079247 0.61534876 tolbutamide -9.9941359 -9.8834467 -0.11068958 tolmetin -9.2832766 -10.066988 0.78371173 toluene -0.51108235 -0.80342418 0.2923418 toluene 2,4-diisocyanate -4.3378196 -4.0953612 -0.24245811 2,6-toluene diisocyanate -3.920763 -4.2529211 0.33215815 p-toluidine -2.5736027 -2.7260389 0.15243627 tolyfluanid -9.5515385 -9.6303568 0.078818254 tramadol -8.7673273 -8.0214005 -0.74592745 tretamine -6.7525892 -9.0787191 2.3261302 triacetin -4.9443836 -4.7528739 -0.19151013 triadimefon -9.1669083 -9.502223 0.33531496 triadimenol -6.4295158 -6.8275857 0.39807001 triallate -6.404583 -7.1928868 0.78830397 triamcinolone acetonide -15.721502 -15.803123 0.081620552 triamterine -13.366117 -13.204305 -0.16181213 triaziflam -1.6209378 -1.6209378 2.235101E-12 triazolam -10.882303 -10.84071 -0.041593209 1,2,4-triazole -2.0589218 -3.9895968 1.930675 triazophos -8.0335484 -7.3308458 -0.7027024 triazoxide -14.342633 -14.342633 7.0521367E-13 tributoxyethyl phosphate -10.202429 -10.056757 -0.14567229 tributyl phosphate -5.3722873 -5.767396 0.39510858 trichlorfon -7.5185289 -6.3981676 -1.1203613 trichloroacetic acid -2.2131541 -3.0428257 0.8296718 2,4,6-trichloroanisole -3.9634664 -3.9147251 -0.0487413 1,2,4-trichlorobenzene -2.258683 -2.7657373 0.50705433 2,3,6-trichlorobenzoic acid -5.6126428 -6.9708381 1.3581952 1,1,1-trichloroethane -0.031671371 -0.42280251 0.39113113 trichloroethylene -0.27963072 -0.42280251 0.1431718 trichlorofluoromethane 0.76689953 0.10945167 0.65744787 1,1,2-trichlorotriflouroetha0.28724733 -0.42280251 0.71004987 triclosan -8.6520977 -8.0877504 -0.56434739 tricresyl phosphate -4.0891232 -4.0544529 -0.034670264 tricyclazole -8.9759359 -8.9759359 1.3375967E-12 tridemorph -6.7922363 -7.8633928 1.0711563 triethanolamine -7.6186123 -6.907382 -0.71123046 triethylamine -0.24846557 -0.72087044 0.47240487 triethylene glycol -5.0559902 -5.6222258 0.56623542 triethylene glycol dimethacr-5.483695 -4.8731098 -0.61058521 triethylene glycol dimethyl -4.7068739 -4.5414104 -0.16546363 triethylene glycol ethyl eth-4.9006939 -4.4574285 -0.44326562 triethylenethiophosphoramide-4.3500729 -4.7739062 0.42383319 triethyl phosphate -2.6660249 -2.6452813 -0.020743674 trifenmorph -10.070574 -9.8411846 -0.22938946 trifloxystrobin -10.213087 -11.377118 1.1640309 triflumizole -10.517536 -8.8425598 -1.6749767 trifluoromethylbenzene -0.57582331 -1.0605092 0.48468593 triflupromazine -8.8130226 -9.1397648 0.32674196 trifluralin -6.8645172 -6.4188266 -0.44569066 triforine -9.3373652 -9.3373652 -2.8776981E-13 triisopropanolamine -7.0120988 -6.9384718 -0.073627219 trimethylaluminium -1.0654285 0.96728951 -2.0327179 1,2,3-trimethylbenzene -2.079834 -1.4802732 -0.59956062 1,2,4-trimethylbenzene -1.7576146 -1.3835254 -0.37408924 alpha,3,3-trimethyl-1-cycloh-3.4329233 -3.5258658 0.092942625 1-(2,4,4-trimethyl-2-cyclohe-4.3808455 -4.2397385 -0.14110716 alpha,3,3-trimethylcyclohexy-3.7232602 -3.852921 0.12966092 3,5,5-trimethylhexyl acetate-3.2789311 -2.9430151 -0.33591604 trimethylolpropane -6.4753909 -6.4755955 0.00020445927 2,2,4-trimethyl-1,3-pentaned-4.1236024 -3.0042701 -1.119332 triphenyl tin acetate -7.4564309 -8.0314779 0.57504666 triphenyl tin hydroxide -8.962615 -8.962615 -4.4408921E-13 tris(2,3-dibromo-1-propyl) p1.4351597 1.4351597 1.7743584E-12 tromethamine -6.7408223 -6.7408223 -6.6613381E-14 tropolone -5.2548895 -5.4492464 0.19435686 L-tryptophan -10.983743 -10.851519 -0.13222356 TSMTB -8.8830118 -8.7028799 -0.18013237 L-tyrosine -12.15773 -12.608562 0.45083061 tyrosol -5.773005 -6.2309852 0.45798004 uniconazole-P -6.6402335 -6.5381775 -0.10205629 uramustine -11.526464 -11.934594 0.40813041 urea phosphate (1:1) -12.416311 -12.416311 -3.6770587E-13 delta-valerolactam -4.3547049 -3.9101131 -0.44459164 L-Valine -9.5359459 -9.7387705 0.20282479 Vat Yellow 4 -13.600393 -14.20816 0.60776645 veralipride -14.14278 -13.653481 -0.48929915 vernolate -4.2911577 -4.2330065 -0.058150943 vinclozolin -9.4564896 -8.7466154 -0.70987362 vinyl acetate 0.020286607 -0.10961471 0.12990132 vinyl chloride -1.390968 -1.390968 3.6859404E-13 warfarin -10.437826 -13.135887 2.698061 m-xylene -1.1073867 -0.9611882 -0.14619854 o-xylene -1.2057399 -1.2294058 0.023665933 p-xylene -1.079489 -0.9611882 -0.1183008 zalcitabine -9.5590353 -9.614604 0.055568617 zinc phenolsulfonate -19.159719 -19.177256 0.017537441 zoxazolamine -5.5621238 -5.3210649 -0.24105869 ____________________________________________________________________ Molecular weight range used in building the models: 2.01588010787964 - 1451200 All atom types were considered... No included variables in the analysis. Probability cut-off: 0.05 Transformation Index: 3 Property Index: 2 Parms: 3.30000008569619E-30 ; 1240000 ; 2.01568 ; 1147.90001 ; 3.93743280658693 ; 575.80981222652 Substituent Model: True ; Amalgamated CH3, OH, NH2, Halogen: True Analysis Complete at: 1:42:56 AM 6/26/2018 ;