| X y |
| CN(C)C(=O)c1ccc(cc1)OC -11.0100 |
| CS(=O)(=O)Cl -4.8700 |
| CC(C)C=C 1.8300 |
| CCc1cnccn1 -5.4500 |
| CCCCCCCO -4.2100 |
| Cc1cc(cc(c1)O)C -6.2700 |
| CC(C)C(C)C 2.3400 |
| CCCC(C)(C)O -3.9200 |
| C[C@@H]1CCCC[C@@H]1C 1.5800 |
| CC[C@H](C)O -4.6200 |
| C(Br)Br -1.9600 |
| CC[C@H](C(C)C)O -3.8800 |
| CCc1ccccn1 -4.3300 |
| CCCCC(=O)OCC -2.4900 |
| c1ccc(cc1)S -2.5500 |
| CC(=CCC/C(=C\CO)/C)C -4.7800 |
| c1ccc2c(c1)CCC2 -1.4600 |
| CCOc1ccccc1 -2.2200 |
| c1cc(ccc1O)Br -5.8500 |
| CCCC(C)(C)C 2.8800 |
| CC(=O)OCCOC(=O)C -6.3400 |
| CCOP(=S)(OCC)SCSP(=S)(OCC)OCC -6.1000 |
| C1CCCC(CC1)O -5.4800 |
| COC(=O)C1CC1 -4.1000 |
| c1ccc(cc1)C#N -4.1000 |
| CCCCC#N -3.5200 |
| CC(C)(C)O -4.4700 |
| CC(C)C(=O)C(C)C -2.7400 |
| CCC=O -3.4300 |
| CN(C)C=O -7.8100 |
| Cc1ccc(cc1)C -0.8000 |
| C=CCC=C 0.9300 |
| Cc1cccc(c1C)Nc2ccccc2C(=O)O -6.7800 |
| CN(C)C(=O)c1ccccc1 -9.2900 |
| CCNCC -4.0700 |
| CC(C)(C)c1ccc(cc1)O -5.9100 |
| CC(C)CCOC=O -2.1300 |
| CCCCCCCCCCO -3.6400 |
| CCC(=O)OCC -2.6800 |
| CCCCCCCCC 3.1300 |
| CC(=O)NC -10.0000 |
| CCCCCCCC=C 2.0600 |
| c1ccc2cc(ccc2c1)O -8.1100 |
| c1cc(c(cc1Cl)Cl)Cl -1.1200 |
| C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O -23.6200 |
| CCCC(=O)OC -2.8300 |
| c1ccc(c(c1)C=O)O -4.6800 |
| C1CNC1 -5.5600 |
| CCCNCCC -3.6500 |
| c1ccc(cc1)N -5.4900 |
| C(F)(F)(F)F 3.1200 |
| CC[C@@H](C)CO -4.4200 |
| c1ccc(c(c1)O)I -6.2000 |
| COc1cccc(c1O)OC -6.9600 |
| CCC#C -0.1600 |
| c1ccc(cc1)C(F)(F)F -0.2500 |
| NN -9.3000 |
| Cc1ccccn1 -4.6300 |
| CCNc1nc(nc(n1)Cl)NCC -10.2200 |
| c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl -3.5600 |
| CCCCCCCCN -3.6500 |
| N -4.2900 |
| c1ccc(c(c1)C(F)(F)F)C(F)(F)F 1.0700 |
| COC(=O)c1ccc(cc1)O -9.5100 |
| CCCCCc1ccccc1 -0.2300 |
| CC(F)F -0.1100 |
| c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl -16.4300 |
| C=CC=C 0.5600 |
| CN(C)C -3.2000 |
| CCCCCC(=O)N -9.3100 |
| CC(C)CO[N+](=O)[O-] -1.8800 |
| c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NCCO -14.2100 |
| C(CO[N+](=O)[O-])O -8.1800 |
| CCCCCCC(=O)C -2.8800 |
| CN1CCNCC1 -7.7700 |
| CCN -4.5000 |
| C1C=CC=CC=C1 -0.9900 |
| c1ccc2c(c1)Cc3ccccc3C2 -3.7800 |
| CC(Cl)Cl -0.8400 |
| COc1cccc(c1)O -7.6600 |
| c1cc2cccc3c2c(c1)CC3 -3.1500 |
| CCCCCCCCBr 0.5200 |
| c1ccc(cc1)CO -6.6200 |
| c1c(c(=O)[nH]c(=O)[nH]1)Br -18.1700 |
| CCCC 2.1000 |
| CCl -0.5500 |
| CC(C)CBr -0.0300 |
| CC(C)SC(C)C -1.2100 |
| CCCCCCC 2.6700 |
| c1cnc[nH]1 -9.6300 |
| c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl -3.8400 |
| CC[C@H](C)n1c(=O)c(c([nH]c1=O)C)Br -9.7300 |
| C(I)I -2.4900 |
| CCCN(CCC)C(=O)SCCC -4.1300 |
| C[N+](=O)[O-] -4.0200 |
| CCOC -2.1000 |
| COC(CCl)(OC)OC -4.5900 |
| CC(C)C 2.3000 |
| CC(C)CC(=O)O -6.0900 |
| CCOP(=O)(OCC)O/C(=C/Cl)/c1ccc(cc1Cl)Cl -7.0700 |
| CCCCl -0.3300 |
| CCCSCCC -1.2800 |
| CCC[C@H](CC)O -4.0600 |
| CC#N -3.8800 |
| CN(CC(F)(F)F)c1ccccc1 -1.9200 |
| [C@@H](C(F)(F)F)(OC(F)F)Cl 0.1000 |
| C=CCCC=C 1.0100 |
| Cc1cccc(c1)C -0.8300 |
| CC(=O)OC -3.1300 |
| COC(c1ccccc1)(OC)OC -4.0400 |
| CCOC(=O)c1ccccc1 -3.6400 |
| CCCS -1.1000 |
| CCCCCC(=O)C -3.0400 |
| CC1(Cc2cccc(c2O1)OC(=O)NC)C -9.6100 |
| c1ccc(cc1)CBr -2.3800 |
| CCCCCC(=O)OCC -2.2300 |
| CCCOC -1.6600 |
| CN1CCOCC1 -6.3200 |
| c1cc(cc(c1)O)C#N -9.6500 |
| c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl -4.3800 |
| CCCc1ccccc1 -0.5300 |
| Cn1cnc2c1c(=O)n(c(=O)n2C)C -12.6400 |
| CNC -4.2900 |
| C(=C(F)F)(C(F)(F)F)F 2.9300 |
| c1cc(ccc1O)Cl -7.0300 |
| C1CCNCC1 -5.1100 |
| c1ccc2c(c1)ccc3c2cccc3 -3.8800 |
| CI -0.8900 |
| COc1c(cc(c(c1O)OC)Cl)Cl -6.4400 |
| C(=C/Cl)\Cl -0.7800 |
| CCCCC 2.3000 |
| CCCC#N -3.6400 |
| [C@@H](C(F)(F)F)(F)Br 0.5000 |
| CC(C)Cc1cnccn1 -5.0400 |
| CC[C@H](C)O[N+](=O)[O-] -1.8200 |
| c1ccc(cc1)c2cc(ccc2Cl)Cl -2.4600 |
| c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl -3.4800 |
| CC[C@@H](C)C(C)C 2.5200 |
| C[C@H](CC(C)C)O -3.7300 |
| C1CCOCC1 -3.1200 |
| C1CC1 0.7500 |
| c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl -3.1700 |
| C=C(Cl)Cl 0.2500 |
| CC(C)CO -4.5000 |
| CCCOC(=O)CC -2.4400 |
| C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl -0.6400 |
| CSc1ccccc1 -2.7300 |
| CCc1ccccc1O -5.6600 |
| CC(C)(C)Cl 1.0900 |
| CC(=C)C=C 0.6800 |
| Cc1ccc(cc1)C(C)C -0.6800 |
| Cn1ccnc1 -8.4100 |
| C(CO)O -9.3000 |
| c1ccc(c(c1)Cl)Cl -1.3600 |
| c1c(=O)[nH]c(=O)[nH]c1Cl -15.8300 |
| CCCOC=O -2.4800 |
| c1ccc2c(c1)Oc3ccc(cc3O2)Cl -3.1000 |
| CCCCCC(=O)O -6.2100 |
| CCOC(=O)CCC(=O)OCC -5.7100 |
| Cc1ccnc(c1)C -4.8600 |
| C1CCC=CC1 0.1400 |
| CN1CCN(CC1)C -7.5800 |
| c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl -3.0400 |
| C1=CC(=O)C=CC1=O -6.5000 |
| COC(=O)CCl -4.0000 |
| CCCC=O -3.1800 |
| CCc1ccccc1 -0.7900 |
| C(=C(Cl)Cl)Cl -0.4400 |
| CCN(CC)CC -3.2200 |
| c1cc2c(cc1Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 -4.1500 |
| Cc1ccncc1C -5.2200 |
| c1(=O)[nH]c(=O)[nH]c(=O)[nH]1 -18.0600 |
| c1ccc(cc1)C=O -4.0200 |
| c1ccnc(c1)Cl -4.3900 |
| C=CCCl -0.5700 |
| Cc1ccc(cc1)C(=O)C -4.7000 |
| C=O -2.7500 |
| Cc1ccccc1Cl -1.1400 |
| CC(=O)N1CCCC1 -9.8000 |
| CC(OC)(OC)OC -4.4200 |
| CCCCc1ccccc1 -0.4000 |
| CN(C)c1ccccc1 -3.4500 |
| CC(C)OC -2.0100 |
| c12c(c(c(c(c1Cl)Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 -4.5300 |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl -2.9800 |
| C(C(Cl)Cl)Cl -1.9900 |
| CNc1ccccc1 -4.6900 |
| CC(C)OC(=O)C -2.6400 |
| c1ccccc1 -0.9000 |
| c1cc(c(c(c1)Cl)Cl)Cl -1.2400 |
| CCOP(=S)(OCC)SCSc1ccc(cc1)Cl -6.5000 |
| COP(=S)(OC)SCn1c(=O)c2ccccc2nn1 -10.0300 |
| c1ccc2c(c1)Oc3c(cc(c(c3O2)Cl)Cl)Cl -4.0500 |
| CC(=C)C(=C)C 0.4000 |
| CCCCC=C 1.5800 |
| S -0.7000 |
| CCOCC -1.5900 |
| CCNc1nc(nc(n1)SC)NC(C)C -7.6500 |
| CCCCOC(=O)c1ccc(cc1)O -8.7200 |
| CCCCCCOC(=O)C -2.2600 |
| C1CCC(=O)C1 -4.7000 |
| CCCCC(=O)O -6.1600 |
| CCBr -0.7400 |
| Cc1ccc2cc(ccc2c1)C -2.6300 |
| CCCCCCO -4.4000 |
| c1ccc(cc1)c2ccccc2Cl -2.6900 |
| CC1=CCCCC1 0.6700 |
| CCCCCCO[N+](=O)[O-] -1.6600 |
| C(Br)(Br)Br -2.1300 |
| CCc1ccc(cc1)O -6.1300 |
| CCCOCCO -6.4000 |
| c1ccc(cc1)OC=O -3.8200 |
| c1c(c(=O)[nH]c(=O)[nH]1)I -18.7200 |
| CCCC(=O)O -6.3500 |
| COC(C(F)(F)F)(OC)OC -0.8000 |
| C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O -20.5200 |
| C(F)(F)(F)Br 1.7900 |
| CCCCO -4.7200 |
| c1ccc(cc1)F -0.8000 |
| CCOC(=O)C -2.9400 |
| CC(C)COC(=O)C(C)C -1.6900 |
| CC(C)(C)OC -2.2100 |
| C1=C[C@@H]([C@@H]2[C@H]1[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl -2.5500 |
| CCC(=O)CC -3.4100 |
| COC(=O)C(F)(F)F -1.1000 |
| c1ccc2ccccc2c1 -2.4000 |
| c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl -4.4000 |
| CC(=O)Oc1ccccc1C(=O)O -9.9400 |
| CC(=O)C(C)(C)C -3.1100 |
| COS(=O)(=O)C -4.8700 |
| CCc1ccncc1 -4.7300 |
| CC(C)NC(C)C -3.2200 |
| c1cc2c(cc1Cl)Oc3ccc(cc3O2)Cl -3.6700 |
| CCCCCCCN -3.7900 |
| CC1CCCC1 1.5900 |
| CCC 2.0000 |
| C[C@H]1CCCO1 -3.3000 |
| CNC(=O)Oc1cccc2c1cccc2 -9.4500 |
| c1cc(cc(c1)O)C=O -9.5200 |
| c1ccc2cc3ccccc3cc2c1 -3.9500 |
| C(Cl)Cl -1.3100 |
| CC(C)(C)C(=O)OC -2.4000 |
| C([N+](=O)[O-])(Cl)(Cl)Cl -1.4500 |
| C1CC[S+2](C1)([O-])[O-] -8.6100 |
| Cc1cccc(c1O)C -5.2600 |
| Cc1cccc(c1)O -5.4900 |
| c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)O)N -9.5300 |
| c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)N)N -11.8500 |
| CCCCCCCC(=O)C -2.4900 |
| CCCCN -4.2400 |
| CCCC(=O)OCC -2.4900 |
| Cc1ccc(cc1)N -5.5700 |
| CCCCCCI 0.0800 |
| C(C(F)(Cl)Cl)(F)(F)Cl 1.7700 |
| COP(=O)(OC)OC -8.7000 |
| c1cc(cc(c1)Cl)Cl -0.9800 |
| Cc1cc(c2ccccc2c1)C -2.4700 |
| CCCC(C)C 2.5100 |
| CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl -5.0400 |
| C(C(F)(F)F)Cl 0.0600 |
| C=C 1.2800 |
| CCCCCI -0.1400 |
| COC(OC)OC -4.4200 |
| CCCCCCCCCC 3.1600 |
| C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] -4.9500 |
| CC=C 1.3200 |
| Cc1c[nH]c2c1cccc2 -5.8800 |
| COP(=O)([C@H](C(Cl)(Cl)Cl)O)OC -12.7400 |
| C1CCCCC1 1.2300 |
| CC(=CCC/C(=C/CO)/C)C -4.4500 |
| CC(C)c1ccccc1 -0.3000 |
| CC(C)C(C)C(C)C 2.5600 |
| CC(C)C(=O)C -3.2400 |
| CCCCNCCCC -3.2400 |
| CCCCS -0.9900 |
| c1ccc2c(c1)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 -3.8100 |
| COc1c(c(c(c(c1Cl)C=O)Cl)OC)O -8.6800 |
| C1CCC(CC1)N -4.5900 |
| C(F)(F)Cl -0.5000 |
| COC(=O)c1ccc(cc1)[N+](=O)[O-] -6.8800 |
| CC(=O)c1cccnc1 -8.2600 |
| CC#C -0.4800 |
| CCCCCCCCC=O -2.0700 |
| CCC(=O)O -6.4600 |
| C(Cl)(Cl)Cl -1.0800 |
| Cc1cccc(c1C)C -1.2100 |
| C 2.0000 |
| c1ccc(cc1)CCl -1.9300 |
| CC1CCCCC1 1.7000 |
| Cc1cccs1 -1.3800 |
| c1ccncc1 -4.6900 |
| CCCCCl -0.1600 |
| C[C@H]1CC[C@@H](O1)C -2.9200 |
| Cc1ccc(c(c1)OC)O -5.8000 |
| C1[C@H]([C@@H]2[C@H]([C@H]1Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl -3.4400 |
| Cc1ccccc1 -0.9000 |
| CC(C)COC=O -2.2200 |
| CCOC(=O)c1ccc(cc1)O -9.2000 |
| CCOCCOCC -3.5400 |
| CCCCCOC(=O)CC -2.1100 |
| CCCc1ccc(cc1)O -5.2100 |
| CC=C(C)C 1.3100 |
| C(CCl)Cl -1.7900 |
| CCC(C)(C)CC 2.5600 |
| Cc1cc2ccccc2cc1C -2.7800 |
| Cc1cccc(n1)C -4.5900 |
| COC(C(Cl)Cl)(F)F -1.1200 |
| CCOCCOC(=O)C -5.3100 |
| COc1cccc(c1)N -7.2900 |
| c1cc(cnc1)C=O -7.1000 |
| CCC(C)(C)O -4.4300 |
| CCc1cccc(c1N(COC)C(=O)CCl)CC -8.2100 |
| Cn1cccc1 -2.8900 |
| COCOC -2.9300 |
| CCC(CC)O -4.3500 |
| CCCCCCCCCC(=O)C -2.1500 |
| C(CBr)Cl -1.9500 |
| c1ccc(cc1)I -1.7400 |
| CC1=CC(=O)CC(C1)(C)C -5.1800 |
| CCI -0.7400 |
| CCCc1ccc(c(c1)OC)O -5.2600 |
| CC(C)Br -0.4800 |
| Cc1ccc(cc1)Br -1.3900 |
| c1cc(ccc1C#N)O -10.1700 |
| CS(=O)(=O)C -10.0800 |
| CCc1cccc(c1)O -6.2500 |
| CC1=CC[C@H](C[C@@H]1O)C(=C)C -4.4400 |
| c1cc(ccc1Br)Br -2.3000 |
| COc1c(ccc(c1C(=O)O)Cl)Cl -9.8600 |
| CC/C=C\C 1.3100 |
| CC 1.8300 |
| COc1ccccc1OC -5.3300 |
| CCSCC -1.4600 |
| c1cc(cnc1)C#N -6.7500 |
| c1cc(c(cc1O)Cl)Cl -7.2900 |
| COc1ccccc1 -2.4500 |
| Cc1ccc(c(c1)O)C -5.9100 |
| c1cc(ccc1Cl)Cl -1.0100 |
| C(F)Cl -0.7700 |
| CCCC=C 1.6800 |
| c1cc(c(c(c1Cl)Cl)Cl)Cl -1.3400 |
| CCCCCC#C 0.6000 |
| CCCCCCCCC(=O)C -2.3400 |
| c1ccc(cc1)Cl -1.1200 |
| CN(C)CCOC(c1ccccc1)c2ccccc2 -9.3400 |
| CCCCC=O -3.0300 |
| c1ccc(cc1)Oc2ccccc2 -2.8700 |
| C1CCC(=O)CC1 -4.9100 |
| CCCC[N+](=O)[O-] -3.0900 |
| c1cnccc1C=O -7.0000 |
| C(CCl)OCCCl -4.2300 |
| CC[N+](=O)[O-] -3.7100 |
| c1cc(cnc1)Cl -4.0100 |
| CBr -0.8200 |
| CO -5.1000 |
| CCCCCCC=O -2.6700 |
| c1cc(c(c(c1)Cl)c2c(cccc2Cl)Cl)Cl -2.2800 |
| c1ccc(c(c1)N)[N+](=O)[O-] -7.3700 |
| CN1CCCCC1 -3.8800 |
| CCCCCCCC=O -2.2900 |
| c1ccc(cc1)[N+](=O)[O-] -4.1200 |
| C[C@@H]1CC[C@H](C(=O)C1)C(C)C -2.5300 |
| C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O -25.4700 |
| CF -0.2200 |
| CS(=O)C -9.2800 |
| c1ccc2c(c1)Oc3ccccc3O2 -3.1500 |
| Cc1ccccc1N -5.5300 |
| CCCCBr -0.4000 |
| CCCCCCCCCO -3.8800 |
| Cc1ccncc1 -4.9300 |
| C(=C(Cl)Cl)(Cl)Cl 0.1000 |
| CC(C)(C)Br 0.8400 |
| C=C(c1ccccc1)c2ccccc2 -2.7800 |
| CCc1ccc(cc1)C -0.9500 |
| Cc1cccnc1 -4.7700 |
| COCC(OC)(OC)OC -5.7300 |
| c1ccc-2c(c1)Cc3c2cccc3 -3.3500 |
| CC(=O)N -9.7100 |
| COS(=O)(=O)OC -5.1000 |
| C(C(Cl)Cl)(Cl)Cl -2.3700 |
| COC(=O)C1CCCCC1 -3.3000 |
| CCCCCCBr 0.1800 |
| CCCCCCCBr 0.3400 |
| c1ccc2c(c1)Oc3cccc(c3O2)Cl -3.5200 |
| COC(CC#N)(OC)OC -6.4000 |
| CC[C@H](C)Cl 0.0000 |
| CCCCCCc1ccccc1 -0.0400 |
| COc1cc(c(c(c1O)OC)Cl)C=O -7.7800 |
| c1cc(cc(c1)C(F)(F)F)C(F)(F)F 1.0700 |
| c1ccc(cc1)Cn2ccnc2 -7.6300 |
| c1ccc2c(c1)cccc2N -7.2800 |
| CCOC(=O)CC(=O)OCC -6.0000 |
| CC(=O)C1CC1 -4.6100 |
| c1cc[nH]c1 -4.7800 |
| c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O -9.4000 |
| CC1CCC(CC1)C 2.1100 |
| C1CCC(CC1)O -5.4600 |
| CN(C)CCC=C1c2ccccc2CCc3c1cccc3 -7.4300 |
| c1cc(ccc1O)F -6.1900 |
| c1ccc(c(c1)N)Cl -4.9100 |
| Cc1ccc(c(c1)C)C -0.8600 |
| CCc1ccccc1C -0.8500 |
| C[C@@H]1CC[C@H](CC1=O)C(=C)C -3.7500 |
| c1ccc(cc1)c2ccccc2 -2.7000 |
| Cc1cccc(c1C)O -6.1600 |
| COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] -7.1900 |
| CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-] -6.7400 |
| CCN(CC)c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-] -5.6600 |
| CSC -1.6100 |
| C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O -10.7800 |
| C1CCC(C1)O -5.4900 |
| CCCCC(=O)OC -2.5600 |
| CCCC(=C)C 1.4700 |
| C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O -8.4200 |
| CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-] -7.9800 |
| C=CCl -0.5900 |
| Cc1ccc(cc1)C(=O)N(C)C -9.7600 |
| CCCC(=O)CCC -2.9200 |
| COC(=O)c1ccccc1 -3.9200 |
| Cc1ccc(cc1)C=O -4.2700 |
| CCCC(=O)OCCC -2.2800 |
| C1CNCCN1 -7.4000 |
| CCOP(=S)(OCC)S[C@@H](CCl)N1C(=O)c2ccccc2C1=O -5.7400 |
| CCOCCO -6.6900 |
| CCC(C)CC 2.5100 |
| Cc1cnccn1 -5.5100 |
| CCC[N+](=O)[O-] -3.3400 |
| Cc1cc(cc(c1)C)C -0.9000 |
| c1c(c(=O)[nH]c(=O)[nH]1)F -16.9200 |
| CCO -5.0000 |
| Cc1ccc(c2c1cccc2)C -2.8200 |
| c1c2c(cc(c1Cl)Cl)Oc3cc(c(cc3O2)Cl)Cl -3.3700 |
| c1cc(c(c(c1)Cl)C#N)Cl -4.7100 |
| CCOC=O -2.5600 |
| c1c(c(cc(c1Cl)Cl)Cl)Cl -1.3400 |
| CCOC(OCC)Oc1ccccc1 -5.2300 |
| c1cc(cc(c1)O)[N+](=O)[O-] -9.6200 |
| CCCCCCCCO -4.0900 |
| CCC=C 1.3800 |
| C(Cl)(Cl)(Cl)Cl 0.0800 |
| c1ccc(cc1)CCO -6.7900 |
| CN(C)C(=O)Nc1ccccc1 -9.1300 |
| CSSC -1.8300 |
| C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl -9.0100 |
| CC(=O)OCC(COC(=O)C)OC(=O)C -8.8400 |
| COC -1.9100 |
| CCCCCC 2.4800 |
| C(CBr)Br -2.3300 |
| C(C(Cl)(Cl)Cl)(Cl)Cl -1.2300 |
| c1c(c(=O)[nH]c(=O)[nH]1)C(F)(F)F -15.4600 |
| Cc1cccc(c1N)C -5.2100 |
| CCCOC(=O)C -2.7900 |
| c1ccc2c(c1)cccn2 -5.7200 |
| CCS -1.1400 |
| CCSSCC -1.6400 |
| c1ccsc1 -1.4000 |
| CCc1cccc2c1cccc2 -2.4000 |
| CCCC(=O)C -3.5200 |
| c1c(c(c(c(c1Cl)Cl)Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl -4.6100 |
| CCC[N@@](CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] -2.4500 |
| CC(=O)O -6.6900 |
| CC=O -3.5000 |
| c1cc(cc(c1)[N+](=O)[O-])N -8.8400 |
| CCCCC#C 0.2900 |
| COc1ccccc1N -6.1200 |
| c1ccc(cc1)O -6.6000 |
| CCC#N -3.8400 |
| c1ccc2c(c1)cccc2O -7.6700 |
| CCCCOC(=O)C -2.6400 |
| CC(C)(/C=N\OC(=O)NC)SC -9.8400 |
| Cc1ccccc1O -5.9000 |
| CC(C)C=O -2.8600 |
| CCC(=O)N -9.4000 |
| CCCBr -0.5600 |
| CC(C)Cl -0.2500 |
| C(CCl)CCl -1.8900 |
| c1cc(ccc1[N+](=O)[O-])O -10.6400 |
| C[C@@H](CCl)Cl -1.2700 |
| c1cc(ccc1N)Cl -5.9000 |
| c1ccc2c(c1)C(=O)c3cccc(c3C2=O)N -9.4400 |
| Cc1cccnc1C -4.8200 |
| c1cnccc1C#N -6.0200 |
| CCOP(=S)(OCC)SCSCC -4.3700 |
| CC(=O)C1CCCCC1 -3.9000 |
| Cc1ccccc1C=O -3.9300 |
| CC(=O)c1ccncc1 -7.6200 |
| c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 -3.7100 |
| CC(=O)C -3.8000 |
| CC(=C)C 1.1600 |
| c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl -3.6100 |
| CCCCC[N+](=O)[O-] -2.8200 |
| CCC/C=C/C=O -3.6800 |
| CN(C)C(=O)c1ccc(cc1)[N+](=O)[O-] -11.9500 |
| C1CCOC1 -3.4700 |
| CCCCCCCC 2.8800 |
| CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] -3.2500 |
| CC(=CCC[C@](C)(C=C)OC(=O)C)C -2.4900 |
| C[C@@H](CCO[N+](=O)[O-])O[N+](=O)[O-] -4.2900 |
| CC(C)OC(C)C -0.5300 |
| CCCCC(C)C 2.9300 |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)N(=O)=O -5.2200 |
| [C@@H](C(F)(F)F)(Cl)Br -0.1100 |
| CCCCOCCCC -0.8300 |
| CCCCCC1CCCC1 2.5500 |
| CC(C)CC(C)C 2.8300 |
| Cc1ccc(nc1)C -4.7200 |
| C/C=C/C=O -4.2200 |
| CCC[C@H](C)CC 2.7100 |
| c1cc(c(c(c1)Cl)c2c(cc(cc2Cl)Cl)Cl)Cl -1.9600 |
| c1ccc(cc1)O[C@@H](C(F)F)F -1.2900 |
| COCCOC -4.8400 |
| CC[C@H](C)c1ccccc1 -0.4500 |
| c1ccc(cc1)CCCO -6.9200 |
| CC[C@@H](C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] -6.2300 |
| COc1ccc(cc1)C(=O)OC -5.3300 |
| CCC(=O)Nc1ccc(c(c1)Cl)Cl -7.7800 |
| C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O -10.2100 |
| C1(C(C(C1(F)F)(F)F)(F)F)(F)F 3.4300 |
| CC(C)CCOC(=O)C -2.2100 |
| CCCCCCCl 0.0000 |
| CC(C)CC(=O)C -3.0500 |
| CCCCCC=O -2.8100 |
| c1cc(cc(c1)Cl)N -5.8200 |
| C1COCCN1 -7.1700 |
| CCOC(C)OCC -3.2800 |
| CCCC[N@](CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] -3.5100 |
| CS -1.2000 |
| C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl -4.2300 |
| CC(=O)c1ccc(cc1)OC -4.4000 |
| C=CCO -5.0300 |
| CCSC -1.5000 |
| CCCCCOC(=O)C -2.5100 |
| c1c(cc(c(c1Cl)Cl)Cl)Cl -1.6200 |
| CC(=O)c1ccccc1 -4.5800 |
| CCCl -0.6300 |
| CCCC1CCCC1 2.1300 |
| c1c(cc(cc1Cl)Cl)Cl -0.7800 |
| CCCOC(=O)c1ccc(cc1)O -9.3700 |
| c1cc(cc(c1)Cl)O -6.6200 |
| CC(C)CCO -4.4200 |
| CCCCCN -4.0900 |
| Cc1c(c(=O)n(c(=O)[nH]1)C(C)(C)C)Cl -11.1400 |
| CC(C)CCC(C)(C)C 2.9300 |
| CCCCOCCO -6.2500 |
| C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl -4.8200 |
| c1ccc(cc1)C(=O)N -11.0000 |
| CC(C)[N+](=O)[O-] -3.1300 |
| C(C(CO)O)O -13.4300 |
| CCCI -0.5300 |
| COCCN -6.5500 |
| C(C(Cl)(Cl)Cl)Cl -1.4300 |
| CCC(=O)OC -2.9300 |
| C1CCCC1 1.2000 |
| CCc1cccnc1 -4.5900 |
| Cc1cc(cnc1)C -4.8400 |
| COCCO -6.6200 |
| COC=O -2.7800 |
| c1ccc2cc(ccc2c1)N -7.4700 |
| Cc1c[nH]cn1 -10.2700 |
| Cc1cccc(c1)[N+](=O)[O-] -3.4500 |
| C(CCCl)CCl -2.3200 |
| CC(=O)CO[N+](=O)[O-] -5.9900 |
| CC(C)(C)c1ccccc1 -0.4400 |
| CCCCCC(=O)OC -2.4900 |
| C[C@@H](C(F)(F)F)O -4.1600 |
| CCCCCBr -0.1000 |
| CCCCCCC=C 1.9200 |
| CC1=CC(=O)[C@@H](CC1)C(C)C -4.5100 |
| CC(C)O -4.7400 |
| CCCCCCN -3.9500 |
| C(CO[N+](=O)[O-])CO[N+](=O)[O-] -4.8000 |
| Cc1ccc(c(c1)C)O -6.0100 |
| CCCCCO -4.5700 |
| CCC[C@@H](C)O -4.3900 |
| CCCC[C@@H](C)CC 2.9700 |
| C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O -7.0000 |
| CCOC(=O)C[C@H](C(=O)OCC)SP(=S)(OC)OC -8.1500 |
| Cc1ccc(cc1C)O -6.5000 |
| Cc1cc(ccc1Cl)O -6.7900 |
| CCCC/C=C/C 1.6800 |
| CCCOCCC -1.1600 |
| C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C -3.2000 |
| CCNc1nc(nc(n1)SC)NC(C)(C)C -6.6800 |
| CC(C)CC(C)(C)C 2.8900 |
| CCCCC(=O)CCCC -2.6400 |
| CCCCN(CC)C(=O)SCCC -3.6400 |
| CCCCCC=C 1.6600 |
| CC(C)OC=O -2.0200 |
| CC(OC(=O)C)OC(=O)C -4.9700 |
| c1c(c(=O)[nH]c(=O)[nH]1)Cl -17.7400 |
| CC(=C)c1ccccc1 -1.2400 |
| CCC(C)C 2.3800 |
| CCCCO[N+](=O)[O-] -2.0900 |
| c1ccc(cc1)Br -1.4600 |
| CC(Cl)(Cl)Cl -0.1900 |
| CC(=C)[C@H]1CCC(=CC1)C=O -4.0900 |
| Cc1ccccc1[N+](=O)[O-] -3.5800 |
| CCCCCCCI 0.2700 |
| c1cc2ccc3cccc4c3c2c(c1)cc4 -4.5200 |
| CCCCCCl -0.1000 |
| CC(C)COC(=O)C -2.3600 |
| CCC(C)(C)C 2.5100 |
| c1cc(ccc1N)N(=O)=O -9.8200 |
| COC(=O)CC#N -6.7200 |
| COc1ccc(cc1)N -7.4800 |
| CC(C)Cc1ccccc1 0.1600 |
| c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl -2.1600 |
| CN -4.5500 |
| c1ccc(c(c1)O)Cl -4.5500 |
| c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N -11.5300 |
| C(=C\Cl)\Cl -1.1700 |
| CCCCC(=O)C -3.2800 |
| C(CO[N+](=O)[O-])O[N+](=O)[O-] -5.7300 |
| c1ccc(c(c1)O)F -5.2900 |
| Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C -9.4100 |
| C=Cc1ccccc1 -1.2400 |
| CCOP(=O)(OCC)OCC -7.5000 |
| C(C(F)(F)F)O -4.3100 |
| CCCCOC[C@H](C)O -5.7300 |
| CCCO -4.8500 |
| Cc1ccccc1C -0.9000 |
| CC(C)(C)C 2.5100 |
| CCCC#C 0.0100 |
| c1ccc2c(c1)C(=O)NC2=O -9.6100 |
| CCCCI -0.2500 |
| Cc1ccc(cc1)O -6.1300 |
| CC(C)I -0.4600 |
| COc1ccccc1O -5.9400 |
| C1CC=CC1 0.5600 |
| C[C@H](C(F)(F)F)O -4.2000 |
| CCCN -4.3900 |
| c1ccc(c(c1)[N+](=O)[O-])O -4.5800 |
| Cc1cccc2c1cccc2 -2.4400 |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl -2.3300 |
| CCCCC/C=C/C=O -3.4300 |
| CCCCCCC#C 0.7100 |
| CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C -6.4800 |
| CCCCCCCC(=O)OC -2.0400 |
| C1CCNC1 -5.4800 |
| c1cc(ccc1C=O)O -8.8300 |
| CCCCCCCCl 0.2900 |
| C1COCCO1 -5.0600 |
|
|
