| SMILES,label | |
| OCC3OC(OCC2OC(OC(C#N)c1ccccc1)C(O)C(O)C2O)C(O)C(O)C3O ,-0.77 | |
| Cc1occc1C(=O)Nc2ccccc2,-3.3 | |
| CC(C)=CCCC(C)=CC(=O),-2.06 | |
| c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc43,-7.87 | |
| c1ccsc1,-1.33 | |
| c2ccc1scnc1c2 ,-1.5 | |
| Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl,-7.32 | |
| CC12CCC3C(CCc4cc(O)ccc34)C2CCC1O,-5.03 | |
| ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl,-6.29 | |
| COc5cc4OCC3Oc2c1CC(Oc1ccc2C(=O)C3c4cc5OC)C(C)=C ,-4.42 | |
| O=C1CCCN1,1.07 | |
| Clc1ccc2ccccc2c1,-4.14 | |
| CCCC=C,-2.68 | |
| CCC1(C(=O)NCNC1=O)c2ccccc2,-2.64 | |
| CCCCCCCCCCCCCC,-7.96 | |
| CC(C)Cl,-1.41 | |
| CCC(C)CO,-0.47 | |
| N#Cc1ccccc1,-1 | |
| CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,-3.64 | |
| CCCCCCCCCC(C)O,-2.94 | |
| Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl ,-7.43 | |
| O=c2[nH]c1CCCc1c(=O)n2C3CCCCC3,-4.594 | |
| CCOP(=S)(OCC)SCSCC,-4.11 | |
| CCOc1ccc(NC(=O)C)cc1,-2.35 | |
| CCN(CC)c1c(cc(c(N)c1N(=O)=O)C(F)(F)F)N(=O)=O,-5.47 | |
| CCCCCCCO,-1.81 | |
| Cn1c(=O)n(C)c2nc[nH]c2c1=O,-1.39 | |
| CCCCC1(CC)C(=O)NC(=O)NC1=O,-1.661 | |
| ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,-6.9 | |
| CCCCCCCC(=O)OC,-3.17 | |
| CCc1ccc(CC)cc1,-3.75 | |
| CCOP(=S)(OCC)SCSC(C)(C)C,-4.755 | |
| COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,-4.805 | |
| ClC(=C)Cl,-1.64 | |
| Cc1cccc2c1Cc3ccccc32,-5.22 | |
| CCCCC=O,-0.85 | |
| N(c1ccccc1)c2ccccc2,-3.504 | |
| CN(C)C(=O)SCCCCOc1ccccc1,-3.927 | |
| CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C,-4.15 | |
| CCCCCCCI,-4.81 | |
| c1c(Cl)cccc1c2ccccc2,-4.88 | |
| OCCCC=C,-0.15 | |
| O=C2NC(=O)C1(CCC1)C(=O)N2,-1.655 | |
| CC(C)C1CCC(C)CC1O ,-2.53 | |
| CC(C)OC=O,-0.63 | |
| CCCCCC(C)O,-1.55 | |
| CC(=O)Nc1ccc(Br)cc1,-3.083 | |
| c1ccccc1n2ncc(N)c(Br)c2(=O),-3.127 | |
| COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OC)C ,-4.76 | |
| c2c(C)cc1nc(C)ccc1c2 ,-1.94 | |
| CCCCCCC#C,-3.66 | |
| CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2 ,-2.17 | |
| c1ccc2c(c1)ccc3c4ccccc4ccc23,-8.057 | |
| CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O ,-2.523 | |
| Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl ,-8.6 | |
| Cc1ccccc1O,-0.62 | |
| CC(C)CCC(C)(C)C,-5.05 | |
| Cc1ccc(C)c2ccccc12,-4.14 | |
| Cc1cc2c3ccccc3ccc2c4ccccc14,-6.57 | |
| CCCC(=O)C,-0.19 | |
| Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl ,-9.15 | |
| CCCOC(=O)CC,-0.82 | |
| CC34CC(O)C1(F)C(CCC2=CC(=O)C=CC12C)C3CC(O)C4(O)C(=O)CO,-3.68 | |
| Nc1ccc(O)cc1,-0.8 | |
| O=C(Cn1ccnc1N(=O)=O)NCc2ccccc2,-2.81 | |
| OC4=C(C1CCC(CC1)c2ccc(Cl)cc2)C(=O)c3ccccc3C4=O,-5.931 | |
| CCNc1nc(Cl)nc(n1)N(CC)CC,-4.06 | |
| NC(=O)c1cnccn1,-0.667 | |
| CCC(Br)(CC)C(=O)NC(N)=O,-2.68 | |
| Clc1ccccc1c2ccccc2Cl ,-5.27 | |
| O=C2CN(N=Cc1ccc(o1)N(=O)=O)C(=O)N2 ,-3.38 | |
| Clc2ccc(Oc1ccc(cc1)N(=O)=O)c(Cl)c2,-5.46 | |
| CC1(C)C2CCC1(C)C(=O)C2,-1.96 | |
| O=C1NC(=O)NC(=O)C1(CC=C)c1ccccc1,-2.369 | |
| CCCCC(=O)OCC,-2.25 | |
| CC(C)CCOC(=O)C,-1.92 | |
| O=C1N(COC(=O)CCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-5.886 | |
| Clc1cccc(c1)c2cc(Cl)ccc2Cl ,-6.01 | |
| CCCBr,-1.73 | |
| CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,-3.493 | |
| COP(=S)(OC)SCC(=O)N(C)C=O,-1.995 | |
| Cc1ncnc2nccnc12,-0.466 | |
| NC(=S)N,0.32 | |
| Cc1ccc(C)cc1,-2.77 | |
| CCc1ccccc1CC,-3.28 | |
| ClC(Cl)(Cl)C(Cl)(Cl)Cl,-3.67 | |
| CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3,-6.876 | |
| CCCN(=O)=O,-0.8 | |
| CC(C)C1CCC(C)CC1=O,-2.35 | |
| CCN2c1cc(Cl)ccc1NC(=O)c3cccnc23 ,-5.36 | |
| O=N(=O)c1c(Cl)c(Cl)ccc1,-3.48 | |
| CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O ,-3.46 | |
| c1ccc2c(c1)c3cccc4cccc2c34,-6 | |
| CCCOC(C)C,-1.34 | |
| Cc1cc(C)c2ccccc2c1,-4.29 | |
| CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2 ,-4.07 | |
| c1(C#N)c(Cl)c(C#N)c(Cl)c(Cl)c(Cl)1,-5.64 | |
| Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2,-7.25 | |
| C1OC1c2ccccc2 ,-1.6 | |
| CC(C)c1ccccc1,-3.27 | |
| CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO,-3.45 | |
| c2(Cl)c(Cl)c(Cl)c1nccnc1c2(Cl) ,-5.43 | |
| C1OC(O)C(O)C(O)C1O,0.39 | |
| ClCCl,-0.63 | |
| CCc1cccc2ccccc12,-4.17 | |
| COC=O,0.58 | |
| Oc1ccccc1N(=O)=O,-1.74 | |
| Cc1c[nH]c(=O)[nH]c1=O ,-1.506 | |
| CC(C)C,-2.55 | |
| OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23,-1.23 | |
| Oc1c(I)cc(C#N)cc1I,-3.61 | |
| Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)N(=O)=O,-4.7 | |
| CCCCC,-3.18 | |
| c1ccccc1O,0 | |
| Nc3ccc2cc1ccccc1cc2c3 ,-5.17 | |
| Cn1cnc2n(C)c(=O)[nH]c(=O)c12 ,-2.523 | |
| c1ccc2cnccc2c1,-1.45 | |
| COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1,-4.432 | |
| CCCCCCc1ccccc1,-5.21 | |
| Clc1ccccc1c2ccccc2,-4.54 | |
| CCCC(=C)C,-3.03 | |
| CC(C)C(C)C(C)C,-4.8 | |
| Clc1cc(Cl)c(Cl)c(Cl)c1Cl,-5.65 | |
| Oc1cccc(c1)N(=O)=O,-1.01 | |
| CCCCCCCCC=C,-5.51 | |
| CC(=O)OCC(COC(=O)C)OC(=O)C,-0.6 | |
| CCCCc1c(C)nc(nc1O)N(C)C ,-2.24 | |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,-7.337 | |
| c1ccncc1,0.76 | |
| CCCCCCCBr,-4.43 | |
| Cc1ccncc1C,0.36 | |
| CC34CC(O)C1(F)C(CCC2=CC(=O)CCC12C)C3CCC4(O)C(=O)CO ,-3.43 | |
| CCSCc1ccccc1OC(=O)NC ,-2.09 | |
| CCOC(=O)CC(=O)OCC,-0.82 | |
| CC1=CCC(CC1)C(C)=C,-4.26 | |
| C1Cc2ccccc2C1,-3.04 | |
| CC(C)(C)c1ccc(O)cc1,-2.41 | |
| O=C2NC(=O)C1(CC1)C(=O)N2 ,-1.886 | |
| Clc1cccc(I)c1,-3.55 | |
| Brc1cccc2ccccc12,-4.35 | |
| CC/C=C/C,-2.54 | |
| Cc1cccc(C)n1,0.45 | |
| ClC=C(Cl)Cl,-1.96 | |
| Nc1cccc2ccccc12,-1.92 | |
| Cc1cccc(C)c1,-2.82 | |
| Oc2ncc1nccnc1n2,-1.947 | |
| CO,1.57 | |
| CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,-2.468 | |
| CCC(=O)C,0.52 | |
| Fc1c[nH]c(=O)[nH]c1=O ,-1.077 | |
| Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O ,-1.95 | |
| Oc1cccc(O)c1,0.81 | |
| CCCCCCO,-1.24 | |
| CCCCCCl,-2.73 | |
| C=CC=C,-1.87 | |
| CCCOC(=O)C,-0.72 | |
| Oc2ccc1CCCCc1c2 ,-1.99 | |
| NC(=O)CCl ,-0.02 | |
| COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,-6.62 | |
| Cc1ccc(Cl)cc1,-3.08 | |
| CSc1nnc(c(=O)n1N)C(C)(C)C,-2.253 | |
| Cc1ccc(OP(=O)(Oc2cccc(C)c2)Oc3ccccc3C)cc1,-6.01 | |
| CCCCCC=O,-1.3 | |
| CCCCOC(=O)c1ccc(N)cc1,-3.082 | |
| O2c1cc(C)ccc1N(C)C(=O)c3cc(N)cnc23 ,-3.043 | |
| CC(C)=CCC/C(C)=C\CO,-2.46 | |
| Clc1ccc(cc1)c2ccccc2Cl ,-5.28 | |
| O=C1N(COC(=O)CCCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-6.523 | |
| CCN(=O)=O,-0.22 | |
| CCN(CC(C)=C)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O,-6.124 | |
| Clc1ccc(Cl)c(Cl)c1Cl,-4.57 | |
| CCCC(C)(COC(N)=O)COC(N)=O ,-1.807 | |
| CC(=O)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C ,-4.65 | |
| CI,-1 | |
| CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 ,-1.13 | |
| O=C1N(COC(=O)CCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-6.301 | |
| CC1=CC(=O)CC(C)(C)C1 ,-1.06 | |
| O=C1NC(=O)NC(=O)C1(CC)C(C)CC,-2.39 | |
| CCCCC(=O)CCCC,-2.58 | |
| CCC1(CCC(=O)NC1=O)c2ccccc2 ,-2.337 | |
| CCC(C)CC,-3.68 | |
| CCOc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3,-8.6 | |
| Cc1ccccc1n3c(C)nc2ccccc2c3=O,-2.925 | |
| ClCC#N,-0.092 | |
| CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl,-5.752 | |
| CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C ,-5.66 | |
| c1ccnnc1,1.1 | |
| Clc1cc(Cl)c(Cl)c(Cl)c1,-4.63 | |
| C1C(O)CCC2(C)CC3CCC4(C)C5(C)CC6OCC(C)CC6OC5CC4C3C=C21,-7.32 | |
| Nc1ccccc1O,-0.72 | |
| CCCCCCCCC(=O)OCC,-3.8 | |
| COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C ,-1.601 | |
| CNC(=O)Oc1ccccc1OC(C)C,-2.05 | |
| CCC(C)Cl,-1.96 | |
| Oc1ccc2ccccc2c1,-2.28 | |
| CC(C)Oc1cc(c(Cl)cc1Cl)n2nc(oc2=O)C(C)(C)C,-5.696 | |
| CCCCC#C,-2.36 | |
| CCCCCCCC#C,-4.24 | |
| Cc1ccccc1Cl,-3.52 | |
| CC(C)OC(C)C,-1.1 | |
| Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,-3.094 | |
| CNN,1.34 | |
| CC#C,-0.41 | |
| CCOP(=S)(OCC)ON=C(C#N)c1ccccc1,-4.862 | |
| CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C,-3.408 | |
| C=CC=O,0.57 | |
| O=c1[nH]cnc2nc[nH]c12 ,-2.296 | |
| Oc2ccc1ncccc1c2 ,-2.16 | |
| Fc1ccccc1,-1.8 | |
| CCCCl,-1.47 | |
| CCOC(=O)C,-0.04 | |
| CCCC(C)(C)C,-4.36 | |
| Cc1cc(C)c(C)c(C)c1C,-4 | |
| CC12CCC(CC1)C(C)(C)O2 ,-1.64 | |
| CCCCOC(=O)CCCCCCCCC(=O)OCCCC,-3.896 | |
| Clc1ccc(cc1)c2ccc(Cl)cc2 ,-6.56 | |
| Cc1cccnc1C,0.38 | |
| CC(=C)C1CC=C(C)C(=O)C1,-2.06 | |
| CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,-5.736 | |
| COc1cc(cc(OC)c1O)C6C2C(COC2=O)C(OC4OC3COC(C)OC3C(O)C4O)c7cc5OCOc5cc67,-3.571 | |
| c1cc2cccc3c4cccc5cccc(c(c1)c23)c54,-8.804 | |
| Cc1ccc(cc1N(=O)=O)N(=O)=O,-2.82 | |
| c1c(Br)ccc2ccccc12 ,-4.4 | |
| CNC(=O)Oc1cccc(N=CN(C)C)c1,-2.34 | |
| COc2cnc1ncncc1n2,-1.139 | |
| Cc3ccnc4N(C1CC1)c2ncccc2C(=O)Nc34 ,-3.19 | |
| CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,-3.658 | |
| CC(=C)C=C,-2.03 | |
| CC(C)=CCCC(O)(C)C=C,-1.99 | |
| COP(=S)(OC)Oc1ccc(SC)c(C)c1,-4.57 | |
| OC1CCCCC1,-0.44 | |
| O=C1NC(=O)NC(=O)C1(C)CC=C,-1.16 | |
| CC34CCC1C(CCC2CC(O)CCC12C)C3CCC4=O,-4.16 | |
| OCC(O)C(O)C(O)C(O)CO ,0.06 | |
| Cc1ccc(cc1)c2ccccc2,-4.62 | |
| CCNc1nc(Cl)nc(NC(C)C)n1,-3.85 | |
| NC(=S)Nc1ccccc1,-1.77 | |
| CCCC(=O)CCC,-1.3 | |
| CC(=O)C(C)(C)C,-0.72 | |
| Oc1ccc(Cl)cc1,-0.7 | |
| O=C1CCCCC1,-0.6 | |
| Cc1cccc(N)c1,-0.85 | |
| ClC(Cl)(Cl)C#N,-2.168 | |
| CNc2cnn(c1cccc(c1)C(F)(F)F)c(=O)c2Cl,-4.046 | |
| CCCCCCCCC(=O)C,-3.3 | |
| CCN(CC)c1nc(Cl)nc(NC(C)C)n1,-3.785 | |
| CCOC(=O)c1ccc(N)cc1,-2.616 | |
| Clc1ccc(Cl)c(Cl)c1,-3.59 | |
| Cc3nnc4CN=C(c1ccccc1Cl)c2cc(Cl)ccc2n34,-4.09 | |
| Oc1ccccc1O,0.62 | |
| CCN2c1ncccc1N(C)C(=O)c3cccnc23 ,-2.62 | |
| CSC,-0.45 | |
| Cc1ccccc1Br,-2.23 | |
| CCOC(=O)N,0.85 | |
| CC(=O)OC3(CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C)C(C)=O ,-5.35 | |
| CC(C)C(O)C(C)C,-1.22 | |
| c1ccc2ccccc2c1,-3.6 | |
| CCNc1ccccc1,-1.7 | |
| O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,-4.097 | |
| Cc1c2ccccc2c(C)c3ccc4ccccc4c13,-7.02 | |
| CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,-6.34 | |
| COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,-6.89 | |
| Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F ,-7.28 | |
| O=C1N(COC(=O)CCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-4.678 | |
| CN(C)C(=O)Nc1ccc(Cl)cc1,-2.89 | |
| OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F,-3.37 | |
| CC(=O)OCC(=O)C3(O)C(CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)OC(C)=O ,-4.13 | |
| CCCCBr,-2.37 | |
| Brc1cc(Br)c(Br)cc1Br,-6.98 | |
| CC(C)CC(=O)C,-0.74 | |
| CCSC(=O)N(CC)C1CCCCC1 ,-3.4 | |
| COc1ccc(Cl)cc1,-2.78 | |
| CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,-8.402 | |
| CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,-2.016 | |
| COP(=S)(OC)Oc1ccc(N(=O)=O)c(C)c1,-4.04 | |
| Ic1cccc2ccccc12,-4.55 | |
| OCC(O)C(O)C(O)C(O)CO,1.09 | |
| CCS,-0.6 | |
| ClCC(Cl)Cl,-1.48 | |
| CN(C)C(=O)Oc1cc(C)nn1c2ccccc2,-2.09 | |
| NC(=O)c1ccccc1O,-1.82 | |
| Cc1ccccc1N(=O)=O,-2.33 | |
| O=C1NC(=O)NC(=O)C1(C(C)C)C(C)C,-2.766 | |
| CCc1ccccc1C,-3.21 | |
| CCCCCCCCl,-4 | |
| O=C1NC(=O)NC(=O)C1(CC)CC,-2.4 | |
| C(Cc1ccccc1)c2ccccc2,-4.62 | |
| ClC(Cl)C(Cl)Cl,-1.74 | |
| CCN2c1cc(OC)cc(C)c1NC(=O)c3cccnc23 ,-5.153 | |
| Cc1ccc2c(ccc3ccccc32)c1,-5.84 | |
| CCCCOC(=O)c1ccccc1C(=O)OCCCC ,-4.4 | |
| COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl ,-4.02 | |
| CCN(CC)C(=O)C(=CCOP(=O)(OC)OC)Cl,0.523 | |
| CC34CCC1C(=CCc2cc(O)ccc12)C3CCC4=O,-5.282 | |
| CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c2nc(Cl)cc(OC)n2,-4.576 | |
| COc1ccc(cc1)N(=O)=O,-2.41 | |
| CCCCCCCl,-3.12 | |
| Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl,-9.16 | |
| OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O,-0.41 | |
| CCCCCCCCCCCCCCCCCCCCCCCCCC,-8.334 | |
| CCN2c1ccccc1N(C)C(=O)c3cccnc23 ,-3.324 | |
| CC(Cl)Cl,-1.29 | |
| Nc1ccc(cc1)S(N)(=O)=O,-1.34 | |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O,-6.49 | |
| ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,-4.64 | |
| CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,-4.194 | |
| Clc1cccc(Cl)c1Cl,-4 | |
| ClC(Cl)(Cl)Cl,-2.31 | |
| O=N(=O)c1cc(Cl)c(Cl)cc1,-3.2 | |
| OC1CCCCCCC1,-1.29 | |
| CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,-3.999 | |
| CCOc1ccc(NC(N)=O)cc1,-2.17 | |
| C/C1CCC(\C)CC1,-4.47 | |
| c1cnc2c(c1)ccc3ncccc23,-2.68 | |
| COC(C)(C)C,-0.24 | |
| COc1ccc(C=CC)cc1,-3.13 | |
| CCCCCCCCCCCCCCCCO,-7 | |
| O=c1cc[nH]c(=O)[nH]1 ,-1.488 | |
| Nc1ncnc2nc[nH]c12 ,-2.12 | |
| Clc1cc(Cl)c(cc1Cl)c2cccc(Cl)c2Cl ,-7.21 | |
| COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 ,-2.596 | |
| c1ccc2c(c1)c3cccc4c3c2cc5ccccc54,-8.23 | |
| O=C(Nc1ccccc1)Nc2ccccc2,-3.15 | |
| CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 ,-2.322 | |
| Clc1ccc(cc1)c2cccc(Cl)c2Cl ,-6.29 | |
| CC(C)c1ccc(NC(=O)N(C)C)cc1,-3.536 | |
| CCN(CC)C(=O)CSc1ccc(Cl)nn1,-1.716 | |
| CCC(C)(C)CO,-1.04 | |
| CCCOC(=O)CCC,-1.75 | |
| Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O,-3.22 | |
| CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,-4.2 | |
| C1CCCCCC1,-3.51 | |
| CCCOC=O,-0.49 | |
| CC(C)c1ccccc1C,-3.76 | |
| Nc1cccc(Cl)c1,-1.37 | |
| CC(C)CC(C)C,-4.26 | |
| o1c2ccccc2c3ccccc13,-4.6 | |
| CCOC2Oc1ccc(OS(C)(=O)=O)cc1C2(C)C,-3.42 | |
| CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,-3.43 | |
| c3ccc2nc1ccccc1cc2c3,-3.67 | |
| CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO,-3.11 | |
| OCC1OC(O)C(O)C(O)C1O,0.74 | |
| Cc1cccc(O)c1,-0.68 | |
| CC2Cc1ccccc1N2NC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O ,-3.586 | |
| CCC(C)C(=O)OC2CC(C)C=C3C=CC(C)C(CCC1CC(O)CC(=O)O1)C23 ,-6.005 | |
| O=N(=O)c1ccc(cc1)N(=O)=O,-3.39 | |
| CCC1(C(=O)NC(=O)NC1=O)C2=CCC3CCC2C3,-2.696 | |
| CCCCCCCCCC(=O)OCC,-4.1 | |
| CN(C)C(=O)Nc1ccccc1,-1.6 | |
| CCCOCC,-0.66 | |
| CC(C)O,0.43 | |
| Cc1ccc2ccccc2c1,-3.77 | |
| ClC(Br)Br,-1.9 | |
| CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2,-4.43 | |
| CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,-3.37 | |
| ClCc1ccccc1,-2.39 | |
| C/C=C/C=O,0.32 | |
| CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,-3.924 | |
| Cc1c2ccccc2c(C)c3ccccc13,-6.57 | |
| CCCCCC(=O)OC,-1.87 | |
| CN(C)C(=O)Nc1ccc(c(Cl)c1)n2nc(oc2=O)C(C)(C)C,-4.328 | |
| CC(=O)Nc1ccc(F)cc1,-1.78 | |
| CCc1cccc(CC)c1N(COC)C(=O)CCl ,-3.26 | |
| C1CCC=CC1,-2.59 | |
| CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO,-3.09 | |
| c1cncnc1,1.1 | |
| Clc1ccc(cc1)N(=O)=O,-2.92 | |
| CCC(=O)OC,-0.14 | |
| Clc1ccccc1N(=O)=O,-2.55 | |
| CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-4.77 | |
| CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C,-1.877 | |
| O=N(=O)c1ccccc1,-1.8 | |
| Ic1ccccc1,-3.01 | |
| CC2Nc1cc(Cl)c(cc1C(=O)N2c3ccccc3C)S(N)(=O)=O ,-3.78 | |
| COc1ccccc1OCC(O)COC(N)=O,-0.985 | |
| CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC ,-4.19 | |
| Oc1cccc(Cl)c1Cl,-1.3 | |
| CCCC(=O)OC,-1.92 | |
| CCC(=O)Nc1ccc(Cl)c(Cl)c1,-3 | |
| Nc3nc(N)c2nc(c1ccccc1)c(N)nc2n3,-2.404 | |
| CCCCCC(=O)OCC,-2.35 | |
| OCC(O)C2OC1OC(OC1C2O)C(Cl)(Cl)Cl ,-1.84 | |
| CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C,-5.47 | |
| COc1nc(NC(C)C)nc(NC(C)C)n1,-2.478 | |
| CCCCCCC=C,-4.44 | |
| Cc1ccc(N)cc1,-1.21 | |
| Nc1nccs1 ,-0.36 | |
| c1ccccc1(OC(=O)NC),-1.803 | |
| CCCC(O)CC,-0.8 | |
| c3ccc2c(O)c1ccccc1cc2c3 ,-4.73 | |
| Cc1ccc2cc3ccccc3cc2c1,-6.96 | |
| Cc1cccc(C)c1C,-3.2 | |
| CNC(=O)Oc1ccc(N(C)C)c(C)c1,-2.36 | |
| CCCCCCCC(C)O,-2.74 | |
| CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2,-3.35 | |
| CCCC(=O)CC,-0.83 | |
| Oc1c(Br)cc(C#N)cc1Br ,-3.33 | |
| Clc1ccc(cc1Cl)c2ccccc2 ,-6.39 | |
| CN(C(=O)COc1nc2ccccc2s1)c3ccccc3,-4.873 | |
| Oc1cccc2ncccc12 ,-2.54 | |
| CC1=C(SCCO1)C(=O)Nc2ccccc2,-3.14 | |
| CCOc2ccc1nc(sc1c2)S(N)(=O)=O ,-3.81 | |
| Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,-4.28 | |
| ClCBr,-0.89 | |
| CCC1(CC)C(=O)NC(=O)N(C)C1=O ,-2.23 | |
| CC(=O)OCC(=O)C3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C ,-4.63 | |
| NC(=O)NCc1ccccc1 ,-0.95 | |
| CN(C)C(=O)Nc1ccc(C)c(Cl)c1,-3.483 | |
| CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-3.592 | |
| OC1CCCCCC1,-0.88 | |
| CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl ,-2.154 | |
| CCCC(C)C1(CC)C(=O)NC(=S)NC1=O ,-3.36 | |
| CC(=O)Nc1nnc(s1)S(N)(=O)=O ,-2.36 | |
| Oc1ccc(cc1)N(=O)=O,-0.74 | |
| ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,-6.307 | |
| C1CCOC1,0.49 | |
| Nc1ccccc1N(=O)=O,-1.96 | |
| Clc1cccc(c1Cl)c2cccc(Cl)c2Cl,-7.28 | |
| CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 ,-3.81 | |
| Cc1c(cccc1N(=O)=O)N(=O)=O,-3 | |
| CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,-4.42 | |
| CCN(CC)c1nc(Cl)nc(n1)N(CC)CC,-4.411 | |
| ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O ,-5.4 | |
| c1(Br)c(Br)cc(Br)cc1,-4.5 | |
| OC3N=C(c1ccccc1)c2cc(Cl)ccc2NC3=O ,-3.952 | |
| O=C1NC(=O)NC(=O)C1(C(C)CCC)CC=C,-2.356 | |
| c1(O)c(C)ccc(C(C)C)c1,-2.08 | |
| C1SC(=S)NC1(=O),-1.77 | |
| Oc1ccc(c(O)c1)c3oc2cc(O)cc(O)c2c(=O)c3O ,-3.083 | |
| ClC1(C(=O)C2(Cl)C3(Cl)C14Cl)C5(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C45Cl,-5.259 | |
| CCN(CC)C(=S)SSC(=S)N(CC)CC,-4.86 | |
| C1CCCCC1,-3.1 | |
| ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,-7.278 | |
| CN(C)C=Nc1ccc(Cl)cc1C,-2.86 | |
| CC34CCc1c(ccc2cc(O)ccc12)C3CCC4=O,-5.24 | |
| CCCCCCCCO,-2.39 | |
| CCSCC,-1.34 | |
| ClCCCl,-1.06 | |
| CCC(C)(C)Cl,-2.51 | |
| ClCCBr,-1.32 | |
| Nc1ccc(cc1)N(=O)=O,-2.37 | |
| OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O,-0.244 | |
| CCN2c1ncccc1N(CC)C(=O)c3cccnc23 ,-2.86 | |
| Clc1ccccc1,-2.38 | |
| CCCCCCCC=C,-5.05 | |
| Brc1ccc(I)cc1,-4.56 | |
| CCC(C)(O)CC,-0.36 | |
| CCCCCc1ccccc1,-4.64 | |
| NC(=O)NC1NC(=O)NC1=O ,-1.6 | |
| OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,-4.571 | |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,-7.2 | |
| CC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C ,-5.184 | |
| Clc1cccc2ccccc12,-3.93 | |
| CCN2c1ccccc1N(C)C(=O)c3ccccc23 ,-4.749 | |
| CCCCC(C)O,-0.89 | |
| CCCC1CCCC1,-4.74 | |
| CCOC(=O)c1cncn1C(C)c2ccccc2,-4.735 | |
| Oc1ccc(Cl)c(Cl)c1,-1.25 | |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,-8.017 | |
| c2ccc1ocnc1c2,-1.16 | |
| CCCCCO,-0.6 | |
| CCN(CC)c1ccccc1,-3.03 | |
| Fc1cccc(F)c1,-2 | |
| ClCCC#N ,-0.29 | |
| CC(C)(C)Cc1ccccc1,-4.15 | |
| O=C1NC(=O)NC(=O)C1(CC)c1ccccc1,-2.322 | |
| Clc1ccccc1I,-3.54 | |
| c2ccc1[nH]nnc1c2,-0.78 | |
| CNC(=O)Oc1cccc2CC(C)(C)Oc12,-2.8 | |
| Cc1cccc(C)c1O,-1.29 | |
| CC(C)C(C)O,-0.18 | |
| c1ccccc1C(O)c2ccccc2,-2.55 | |
| CCCCCCCCCC(=O)OC,-4.69 | |
| COP(=S)(OC)Oc1ccc(cc1Cl)N(=O)=O,-4.31 | |
| CC(C)CBr,-2.43 | |
| CCI,-1.6 | |
| CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,-1.95 | |
| CCCCCCBr,-3.81 | |
| CCCC(C)C,-3.74 | |
| Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F,-7.321 | |
| CCc1cccc(C)c1N(C(C)COC)C(=O)CCl ,-2.73 | |
| ON=Cc1ccc(o1)N(=O)=O ,-2.19 | |
| CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,-8.003 | |
| Nc1nc[nH]n1,0.522 | |
| BrC(Br)Br,-1.91 | |
| COP(=O)(OC)C(O)C(Cl)(Cl)Cl,-0.22 | |
| CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12,-5.233 | |
| OCc1ccccc1,-0.4 | |
| O=c2c(C3CCCc4ccccc43)c(O)c1ccccc1o2 ,-2.84 | |
| Oc1ccc(Br)cc1,-1.09 | |
| CC(C)Br,-1.59 | |
| CC(C)CC(C)(C)C,-4.74 | |
| O=N(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O,-2.89 | |
| CN2C(=O)CN=C(c1ccccc1)c3cc(ccc23)N(=O)=O,-3.796 | |
| CCC,-1.94 | |
| Nc1cc(nc(N)n1=O)N2CCCCC2 ,-1.989 | |
| Nc2cccc3nc1ccccc1cc23 ,-4.22 | |
| c1ccc2cc3c4cccc5cccc(c3cc2c1)c45,-8.49 | |
| OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,-5.666 | |
| C1Cc2cccc3cccc1c23,-4.63 | |
| CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O,-6.34 | |
| Brc1ccc(Br)cc1,-4.07 | |
| Cn2c(=O)on(c1ccc(Cl)c(Cl)c1)c2=O,-2.82 | |
| Oc1ccc(cc1)c2ccccc2,-3.48 | |
| CC1=C(CCCO1)C(=O)Nc2ccccc2 ,-2.56 | |
| CCOC=C,-0.85 | |
| CCC#C,-1.24 | |
| COc1ncnc2nccnc12 ,-1.11 | |
| CCCCC(C)(O)CC,-1.6 | |
| Clc1ccc(Cl)cc1,-3.27 | |
| O=C1N(COC(=O)C)C(=O)C(N1)(c2ccccc2)c3ccccc3,-4.47 | |
| CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,-1.981 | |
| Cc1c[nH]c2ccccc12 ,-2.42 | |
| COc2ncc1nccnc1n2,-1.11 | |
| CNC(=O)Oc1ccccc1C2OCCO2,-1.57 | |
| C1N(C(=O)NCC(C)C)C(=O)NC1,-2.15 | |
| CC#N,0.26 | |
| CCOC(=O)NCCOc2ccc(Oc1ccccc1)cc2,-4.7 | |
| CC(=O)N(S(=O)c1ccc(N)cc1)c2onc(C)c2C ,-3.59 | |
| ClCC(Cl)(Cl)Cl,-2.18 | |
| CCCCO,0 | |
| CC1CCCCC1NC(=O)Nc2ccccc2,-4.11 | |
| Clc1cc(Cl)cc(Cl)c1,-4.48 | |
| O=Cc1ccco1,-0.1 | |
| CC(C)CCO,-0.51 | |
| O=Cc2ccc1OCOc1c2 ,-1.63 | |
| CC(=C)C,-2.33 | |
| O=Cc1ccccc1,-1.19 | |
| CC(=C)C(=C)C,-2.4 | |
| CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21)C(C)C,-4.71 | |
| O2c1ccccc1N(C)C(=O)c3cccnc23 ,-3.672 | |
| C1c2ccccc2c3ccccc13,-5 | |
| CC1CCCCC1,-3.85 | |
| NC(=N)NS(=O)(=O)c1ccc(N)cc1 ,-1.99 | |
| COC(=O)c1ccc(O)cc1,-1.827 | |
| CC1CCCO1,0.11 | |
| CC3C2CCC1(C)C=CC(=O)C(=C1C2OC3=O)C,-3.09 | |
| OCC2OC(Oc1ccccc1CO)C(O)C(O)C2O,-0.85 | |
| CCCI,-2.29 | |
| CCNc1nc(NC(C)C)nc(SC)n1,-3.04 | |
| CCCO,0.62 | |
| CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,-3.817 | |
| CCCC(C)O,-0.29 | |
| OC(C(=O)c1ccccc1)c2ccccc2,-2.85 | |
| Cc1ccc(O)c(C)c1,-1.19 | |
| Clc1cccc(c1)N(=O)=O,-2.77 | |
| Cc2c(N)c(=O)n(c1ccccc1)n2C,-0.624 | |
| Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl ,-6.57 | |
| ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,-4.92 | |
| CCNc1nc(NC(C)(C)C)nc(SC)n1,-4 | |
| CCC(C)CCO,-0.71 | |
| Cc2ncc1nccnc1n2,-0.12 | |
| CC23Cc1cnoc1C=C2CCC4C3CCC5(C)C4CCC5(O)C#C,-5.507 | |
| CCCCI,-2.96 | |
| Brc1ccc2ccccc2c1,-4.4 | |
| CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C ,-4.081 | |
| FC(F)(F)c1ccccc1,-2.51 | |
| CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,-6.144 | |
| c1ccc2c(c1)sc3ccccc23,-4.38 | |
| Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl ,-7.8 | |
| Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl ,-8.01 | |
| CC(=O)CC(c1ccccc1)c3c(O)c2ccccc2oc3=O ,-3.893 | |
| c1ccccc1C(O)C(O)c2ccccc2,-1.93 | |
| COC(=O)c1ccccc1C(=O)OC,-1.66 | |
| CCCCCCCC(=O)OCC,-3.39 | |
| CCSSCC,-2.42 | |
| CCOCCOCC,-0.77 | |
| Clc1cc(Cl)c(Cl)cc1Cl,-5.56 | |
| Nc1ccc(cc1)c2ccc(N)cc2,-2.7 | |
| CCCCCC=C,-3.73 | |
| CCCCc1c(C)nc(NCC)[nH]c1=O,-3.028 | |
| O=C1NC(=O)NC(=O)C1(CC)C(C)CCC,-2.39 | |
| Nc1ccccc1Cl,-1.52 | |
| COc1cccc(Cl)c1,-2.78 | |
| CCCCN(CC)C(=O)SCCC,-3.53 | |
| CCCCOC=O,-1.37 | |
| CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C2CCC1(O)C(=O)CO,-3.18 | |
| BrC(Cl)Cl,-1.54 | |
| CC34CC(=O)C1C(CCC2=CC(=O)CCC12C)C3CCC4(=O) ,-3.48 | |
| c1ccc(cc1)c2ccc(cc2)c3ccccc3,-7.11 | |
| Oc1ccc(C=O)cc1,-0.96 | |
| CBr,-0.79 | |
| Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2,-3.8 | |
| CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3ccccc3oc2=O,-5.839 | |
| CCc1ccc2ccccc2c1,-4.29 | |
| Nc1c(C)c[nH]c(=O)n1 ,-1.458 | |
| Clc2c(Cl)c(Cl)c(c1ccccc1)c(Cl)c2Cl ,-7.92 | |
| c1c(NC(=O)c2ccccc2(I))cccc1,-4.21 | |
| Cc3cc2nc1c(=O)[nH]c(=O)nc1n(CC(O)C(O)C(O)CO)c2cc3C,-3.685 | |
| Fc1ccccc1Br,-2.7 | |
| Oc1ccc(Cl)cc1Cl,-1.55 | |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,-6.291 | |
| CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3ccccn3 ,-4.16 | |
| O=C1N(COC(=O)CC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-4.907 | |
| C1CCCC1,-2.64 | |
| Cc1ccccc1N,-2.21 | |
| c1(OC)ccc(CC=C)cc1,-2.92 | |
| CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 ,-2.93 | |
| CC(C)C=C,-2.73 | |
| Oc1ccccn1,1.02 | |
| CC,-1.36 | |
| Clc1ccccc1Cl,-3.05 | |
| Sc2nc1ccccc1s2 ,-3.18 | |
| Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl ,-11.6 | |
| COc2c1occc1cc3ccc(=O)oc23 ,-3.664 | |
| CC(=O)N,1.58 | |
| Cc1cccc2ccccc12,-3.7 | |
| CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 ,-3.57 | |
| CC(O)C(C)(C)C,-0.62 | |
| CCCC(=O)OCC,-1.36 | |
| CC2=CC(=O)c1ccccc1C2=O ,-3.03 | |
| c1ccc2c(c1)ccc3ccccc32,-5.26 | |
| Cc1ccnc(C)c1,0.38 | |
| CCCCCCCCCO,-3.01 | |
| BrCBr,-1.17 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,-3.59 | |
| Cc1ccc2cc(C)ccc2c1,-4.89 | |
| CCSC(=O)N(CC(C)C)CC(C)C,-3.68 | |
| O=N(=O)OCC(CON(=O)=O)ON(=O)=O ,-2.22 | |
| Nc1cccc(c1)N(=O)=O,-2.19 | |
| CCCCCl,-2.03 | |
| ClC(Cl)(Cl)C(NC=O)N1C=CN(C=C1)C(NC=O)C(Cl)(Cl)Cl ,-4.19 | |
| Cn2cc(c1ccccc1)c(=O)c(c2)c3cccc(c3)C(F)(F)F,-4.445 | |
| Nc3cc2c1ccccc1ccc2c4ccccc34 ,-6.2 | |
| CC12CCC3C(CCc4cc(O)ccc34)C2CCC1=O,-3.955 | |
| CCN2c1ccccc1N(C)C(=S)c3cccnc23 ,-4.706 | |
| CC1CO1,-0.59 | |
| O=C3CN=C(c1ccccc1)c2cc(ccc2N3)N(=O)=O,-3.796 | |
| CCNC(=S)NCC,-1.46 | |
| Oc1cc(Cl)cc(Cl)c1Cl,-2.67 | |
| CCCCC(=O)OC,-1.34 | |
| Nc1ccccc1,-0.41 | |
| Cc1cccc2c(C)cccc12,-4.679 | |
| NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl ,-2.63 | |
| C1=Cc2cccc3cccc1c23,-3.96 | |
| CCCCCOC(=O)CC,-1.28 | |
| CCNc1nc(NC(C)C)nc(OC)n1,-2.084 | |
| c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,-8.699 | |
| CCBr,-1.09 | |
| CCC#CCC,-1.99 | |
| CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C ,-5.293 | |
| CCC(=C)C,-2.73 | |
| Oc1cccc2cccnc12 ,-2.42 | |
| C1CCc2ccccc2C1,-4.37 | |
| Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 ,-2.9 | |
| Brc1cc(Br)cc(Br)c1,-5.6 | |
| COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,-5.72 | |
| Cc1cc(=O)[nH]c(=S)[nH]1,-2.436 | |
| COc1cc(CC=C)ccc1O,-1.56 | |
| O=C1NC(=O)NC(=O)C1(C(C)C)CC=C,-1.708 | |
| c1cc2ccc3cccc4ccc(c1)c2c34,-6.176 | |
| CCOC(C)OCC,-0.43 | |
| CC1(C)CON(Cc2ccccc2Cl)C1=O,-2.338 | |
| CCCCOCCO,-0.42 | |
| Clc1c(Cl)c(Cl)c(N(=O)=O)c(Cl)c1Cl,-5.82 | |
| CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O,-4.402 | |
| FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O,-4.047 | |
| c1ccc2ncccc2c1,-1.3 | |
| COC(=O)c1cc(O)c(O)c(O)c1 ,-1.24 | |
| OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F ,-1.8 | |
| Clc2ccc1oc(=O)[nH]c1c2,-2.831 | |
| Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,-7.92 | |
| O=C1NC(=O)C(=O)C(=O)N1 ,-1.25 | |
| ClCCCCl,-1.62 | |
| Fc1cccc(Br)c1,-2.67 | |
| Clc1ccc(Br)cc1,-3.63 | |
| CC(C)C(C)C,-3.65 | |
| CCC=C,-1.94 | |
| Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl,-7.68 | |
| Nc1cc[nH]c(=O)n1 ,-1.155 | |
| FC(F)(Cl)C(F)(Cl)Cl,-3.04 | |
| CCC#N,0.28 | |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl ,-6.51 | |
| COc1ccccc1N(=O)=O,-1.96 | |
| CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4=O,-4.12 | |
| CC12CC2(C)C(=O)N(C1=O)c3cc(Cl)cc(Cl)c3,-4.8 | |
| c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,-9.018 | |
| CCC(C)c1cc(cc(N(=O)=O)c1O)N(=O)=O ,-3.38 | |
| c1c(OC)c(OC)C2C(=O)OCC2c1,-1.899 | |
| OCC(O)CO,1.12 | |
| COc1ccccc1O ,-1.96 | |
| CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl ,-5.67 | |
| Cc1c2ccccc2cc3ccccc13,-5.89 | |
| Cc1cc(=O)n(c2ccccc2)n1C,0.715 | |
| CCCCOC,-0.99 | |
| Cc2cnc1cncnc1n2,-0.854 | |
| CCNc1nc(Cl)nc(NCC)n1 ,-4.55 | |
| CN(C)C(=O)C,1.11 | |
| CSc1nc(nc(n1)N(C)C)N(C)C,-2.676 | |
| C=C,-0.4 | |
| CC(C)(C)CCO,-0.5 | |
| O=C1NC(=O)NC(=O)C1(CC)CC=C,-1.614 | |
| Oc1ccc(Cl)c(Cl)c1Cl,-2.67 | |
| COc1ccccc1,-1.85 | |
| c1ccc(Cl)cc1C(c2ccc(Cl)cc2)(O)C(=O)OC(C)C,-4.53 | |
| CC13CCC(=O)C=C1CCC4C2CCC(C(=O)CO)C2(CC(O)C34)C=O ,-3.85 | |
| COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2,-4.16 | |
| CCc1ccc(C)cc1,-3.11 | |
| CC(C)SC(C)C,-2.24 | |
| O=N(=O)c1cccc(c1)N(=O)=O,-2.29 | |
| CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,-5.54 | |
| CCC1(C(C)C)C(=O)NC(=O)NC1=O ,-2.21 | |
| CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C ,-4.21 | |
| Cc1ncc(N(=O)=O)n1CCO,-1.22 | |
| Nc1ccc(Cl)cc1,-1.66 | |
| CCCC(C)(C)CO,-1.52 | |
| c1ccoc1,-0.82 | |
| COCCCNc1nc(NC(C)C)nc(SC)n1,-2.928 | |
| CN(C)C(=O)NC1CC2CC1C3CCCC23,-3.171 | |
| CC(C)(C)c1ccccc1,-3.66 | |
| CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,-3.27 | |
| CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C ,-4.37 | |
| CCCOC,-0.39 | |
| CC(C)OC(=O)C,-0.55 | |
| Brc1ccccc1,-2.55 | |
| CCOC(=O)c1ccc(O)cc1,-2.35 | |
| O=C1N(COC(=O)CCC)C(=O)C(N1)(c2ccccc2)c3ccccc3,-5.071 | |
| CCC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C ,-5.37 | |
| c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67,-9.332 | |
| O=c1[nH]cnc2[nH]ncc12 ,-2.266 | |
| ClC=C,-1.75 | |
| CN(C)C(=O)C(c1ccccc1)c2ccccc2 ,-2.98 | |
| BrC(Br)(Br)Br,-3.14 | |
| CCN2c1cc(N(C)C)cc(C)c1NC(=O)c3cccnc23 ,-4.871 | |
| O=C1NC(=O)c2ccccc12 ,-2.61 | |
| OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,-4.38 | |
| COC(=O)c1ccccc1,-1.85 | |
| Cn1ccc(=O)[nH]c1=O,-0.807 | |
| CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 ,-3.73 | |
| Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl ,-6.47 | |
| CCC2NC(=O)c1cc(c(Cl)cc1N2)S(N)(=O)=O,-3.29 | |
| CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-3.8 | |
| C1CC=CC1,-2.1 | |
| C1(=O)NC(=O)NC(=O)C1(O)C2(O)C(=O)NC(=O)NC2(=O),-1.99 | |
| CCCCCCCCC,-5.88 | |
| Oc1ccccc1Cl,-1.06 | |
| c1cccc2c3c(C)cc4ccccc4c3ccc12,-6.59 | |
| CCOc1ccccc1,-2.33 | |
| CCOC(=O)C=Cc1ccccc1,-3 | |
| Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C,-2.484 | |
| Clc1ccccc1C2=NCC(=O)Nc3ccc(cc23)N(=O)=O,-3.499 | |
| Cc1ccc(cc1)S(=O)(=O)N,-1.74 | |
| CC(OC(=O)Nc1cccc(Cl)c1)C#C,-2.617 | |
| CCCCCC(C)C,-5.08 | |
| CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,-8.176 | |
| CCCC1C(=O)N3N(C1=O)c2cc(C)ccc2N=C3N(C)C ,-3.538 | |
| CN2C(=O)CN=C(c1ccccc1)c3cc(Cl)ccc23,-3.754 | |
| CCC(O)C(C)C,-0.7 | |
| CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O ,-2.3 | |
| CC1(C)C2CCC1(C)C(O)C2,-2.32 | |
| CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1O,-4.02 | |
| CCCCCCC,-4.53 | |
| Oc1cccc2ccccc12,-2.22 | |
| C/C1CCCCC1\C,-4.3 | |
| COc2cc1c(N)nc(nc1c(OC)c2OC)N3CCN(CC3)C(=O)OCC(C)(C)O ,-3.638 | |
| C1Cc2c3c1cccc3cc4c2ccc5ccccc54,-7.85 | |
| CC(=O)C3(C)CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C,-5.27 | |
| CCCCCC(=O)C,-1.45 | |
| COP(=O)(NC(C)=O)SC ,0.54 | |
| CCCCSP(=O)(SCCCC)SCCCC,-5.14 | |
| c1cC2C(=O)NC(=O)C2cc1,-2.932 | |
| NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl ,-2.68 | |
| CC=C(C)C,-2.56 | |
| Cc1ccc(C)c(C)c1,-3.31 | |
| Oc1cc(Cl)c(Cl)cc1Cl,-2.21 | |
| c1ccc2c(c1)cnc3ccccc23 ,-2.78 | |
| CCCC(C)(O)CC,-0.98 | |
| CCCCCCCC,-5.24 | |
| c1ccc2cc3ccccc3cc2c1,-6.35 | |
| NNc1ccccc1,0.07 | |
| CCC=O,0.58 | |
| C1CCCCCCC1,-4.15 | |
| O=C1NC(=O)NC(=O)C1(CC=C)CC=C,-2.077 | |
| ClC(Cl)Cl,-1.17 | |
| Sc1nccc(=O)[nH]1 ,-2.273 | |
| Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1,-5.915 | |
| CC1=CCCCC1,-3.27 | |
| CCCCC(CC)C=O,-2.13 | |
| COc2c1occc1c(OC)c3c(=O)cc(C)oc23 ,-3.021 | |
| O=C1NC(=O)NC(=O)C1(CC)CCC(C)C,-2.658 | |
| c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,-8 | |
| CCC(CC)C=O,-1.52 | |
| CCCOCCC,-1.62 | |
| CCCCCCCCCCCCCCO,-5.84 | |
| Oc1c(Cl)ccc(Cl)c1Cl,-2.64 | |
| NC(=O)N,0.96 | |
| CCCC#C,-1.64 | |
| Brc1cccc(Br)c1,-3.54 | |
| CCCCCCCCCCCCCCCCCCO,-8.4 | |
| CC(=O)Nc1ccccc1,-1.33 | |
| c1cc(O)c(O)c2OCC3(O)CC4=CC(=O)C(O)=CC4=C3c21,-2.7 | |
| c1nccc(C(=O)NN)c1,0.009 | |
| OC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl ,-5.46 | |
| CC(C)CCOC=O,-1.52 | |
| CC(=O)c1ccccc1,-1.28 | |
| c2ccc1nc(ccc1c2)c4ccc3ccccc3n4 ,-5.4 | |
| CCOP(=O)(OCC)OCC,0.43 | |
| CC2(C)C1CCC(C)(C1)C2=O,-1.85 | |
| COc2cnc1cncnc1n2,-0.91 | |
| ClC2=C(Cl)C3(Cl)C1C=CCC1C2(Cl)C3(Cl)Cl ,-5.64 | |
| CC(C)N(=O)=O,-0.62 | |
| c1ccc2c(c1)[nH]c3ccccc32,-5.27 | |
| OCC(O)C(O)CO,0.7 | |
| CCCOC(=O)c1ccc(N)cc1,-2.452 | |
| CNC(=O)C=C(C)OP(=O)(OC)OC,0.651 | |
| O=C1CCC(=O)N1,0.3 | |
| CCC(C)C(C)C,-4.28 | |
| CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C ,-4.16 | |
| CCN2c1ncccc1N(C)C(=S)c3cccnc23 ,-4.634 | |
| O2c1ccccc1N(CC)C(=O)c3ccccc23 ,-3.68 | |
| C1CCOCC1,-0.03 | |
| CCCCCC#C,-3.01 | |
| c1cc2ccc(OC)c(CC=C(C)(C))c2oc1=O ,-4.314 | |
| c1cc(C)cc2c1c3cc4cccc5CCc(c45)c3cc2,-7.92 | |
| CCOC(=O)c1ccccc1,-2.32 | |
| ClCC(C)C,-2 | |
| CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C ,-4.3 | |
| CCCCCCCCCCCC(=O)OC,-4.69 | |
| CCCSCCC,-2.58 | |
| c1ccc2cc3cc4ccccc4cc3cc2c1,-8.6 | |
| CCCCCBr,-3.08 | |
| CCCC/C=C/C,-3.82 | |
| Cc1ncc(N(=O)=O)n1CCO ,-1.26 | |
| CCCCCC1CCCC1,-6.08 | |
| Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl ,-7.42 | |
| O=C1NC(=O)NC(=O)C1(CC)C(C)C,-2.148 | |
| CC(Cl)(Cl)Cl,-2 | |
| CON(C)C(=O)Nc1ccc(Cl)cc1,-2.57 | |
| O=C2NC(=O)C1(CCCCC1)C(=O)N2,-3.06 | |
| CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 ,-0.85 | |
| Cc1ccc(Br)cc1,-3.19 | |
| CCOCC,-0.09 | |
| CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,-4.376 | |
| CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O,-5.53 | |
| Cc1cc(C)c(O)c(C)c1,-2.05 | |
| c1ccccc1,-1.64 | |
| Clc1ccc(I)cc1,-4.03 | |
| COc1ccc(NC(=O)N(C)C)cc1Cl,-2.564 | |
| CC(C)N(C(=O)CCl)c1ccccc1 ,-2.48 | |
| C=Cc1ccccc1,-2.82 | |
| COCOC,0.48 | |
| Cc1ccccc1C,-2.8 | |
| CCC(C)O,0.47 | |
| Oc1ccc(O)cc1,-0.17 | |
| CC34CCC1C(CCc2cc(O)ccc12)C3CC(O)C4O ,-4.955 | |
| C1c2ccccc2c3cc4ccccc4cc13,-8.04 | |
| O=C1CNC(=O)N1 ,-0.4 | |
| c1(O)cc(O)ccc1CCCCCC,-2.59 | |
| C=CCS(=O)SCC=C,-0.83 | |
| CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2,-5.382 | |
| Cc1c(C)c2c3ccccc3ccc2c4ccccc14,-7.01 | |
| CCCCC(=O)OC3(C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)C(=O)CO,-4.71 | |
| O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2 ,-3.93 | |
| Oc1c(Cl)cc(Cl)c(Cl)c1Cl,-3.1 | |
| Clc1cccc(Cl)c1,-3.04 | |
| Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,-7.15 | |
| CC(C)COC=O,-1.01 | |
| c1ccccc1SC,-2.39 | |
| CCN2c1nc(C)cc(C(F)(F)F)c1NC(=O)c3cccnc23 ,-4.207 | |
| CCCCCC,-3.84 | |
| COC(=O)c1cccnc1 ,-0.46 | |
| NS(=O)(=O)c3cc2c(NC(Cc1ccccc1)NS2(=O)=O)cc3C(F)(F)F,-3.59 | |
| Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl ,-7.82 | |
| CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C,-4.925 | |
| CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,-3.15 | |
| c1ccc2c(c1)c3ccccc3c4ccccc24,-6.726 | |
| CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2,-4.95 | |
| CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,-6.96 | |
| CCc1ccccn1,0.51 | |
| COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,-2.28 | |
| c1ccc(cc1)c2ccccc2,-4.345 | |
| Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl ,-8.71 | |
| CN(C)c1nc(nc(n1)N(C)C)N(C)C,-3.364 | |
| CC(C)CC(C)(C)O,-0.92 | |
| O=C2NC(=O)C1(CCCCCC1)C(=O)N2 ,-3.168 | |
| OCC1OC(O)(CO)C(O)C1O,0.64 | |
| Cc1cc(C)cc(O)c1,-1.4 | |
| ClCC#CCOC(=O)Nc1cccc(Cl)c1,-4.37 | |
| CC(=O)Nc1ccc(Cl)cc1,-2.843 | |
| Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,-8.94 | |
| CCC(C)(C)C,-3.55 | |
| CNc1ccccc1,-1.28 | |
| C=CCC=C,-2.09 | |
| CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,-4.88 | |
| Cc1cc(cc(N(=O)=O)c1O)N(=O)=O,-1.456 | |
| OC3N=C(c1ccccc1Cl)c2cc(Cl)ccc2NC3=O,-3.604 | |
| Oc1cccc(Cl)c1,-0.7 | |
| Clc1cccc(Br)c1,-3.21 | |
| NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl ,-3.05 | |
| O=C1NC(=O)NC(=O)C1(C)CC,-1.228 | |
| OCCOc1ccccc1,-0.7 | |
| C(c1ccccc1)c2ccccc2,-4.08 | |
| CCCCCC(O)CC,-1.98 | |
| CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2N(=O)=O)C(F)(F)F)N(=O)=O,-6.78 | |
| CC(C)Nc1nc(Cl)nc(NC(C)C)n1,-4.43 | |
| CCCC(C)CO,-1.11 | |
| CCCCC(C)(C)O,-1.08 | |
| CCc1ccccc1,-2.77 | |
| O=C1NC(=O)NC(=O)C1(CC)CC=C(C)C,-2.253 | |
| ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,-6.317 | |
| CCC(C)C1(CC(Br)=C)C(=O)NC(=O)NC1=O ,-2.647 | |
| CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,-6.025 | |
| COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,-5.19 | |
| CCOC(=O)CC,-0.66 | |
| CSc1nc(NC(C)C)nc(NC(C)C)n1,-4.1 | |
| CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,-3.9 | |
| Cc1cc2ccccc2cc1C,-4.72 | |
| Clc1ccc(cc1)c2cc(Cl)ccc2Cl ,-6.25 | |
| Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl ,-7.39 | |
| NC(N)=NC#N ,-0.31 | |
| ClC(Cl)(Cl)N(=O)=O,-2 | |
| Clc1cccc(Cl)c1c2ccccc2 ,-5.21 | |
| COc1ccc(C=O)cc1,-1.49 | |
| CC(=O)Nc1ccc(cc1)N(=O)=O,-2.692 | |
| CCCCCCC(=O)OCC,-2.74 | |
| CC(=O)Nc1ccc(O)cc1,-1.03 | |
| c2ccc1[nH]ncc1c2 ,-2.16 | |
| CC5(C)OC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO ,-4.31 | |
| Nc2nc1[nH]cnc1c(=O)[nH]2 ,-3.583 | |
| COC(=O)C,0.46 | |
| CC34CCC1C(CCC2CC(=O)CCC12C)C3CCC4O ,-4.743 | |
| CCCC(O)C=C,-0.59 | |
| OC(C1=CC2C5C(C1C2=C(c3ccccc3)c4ccccn4)C(=O)NC5=O)(c6ccccc6)c7ccccn7 ,-3.931 | |
| CCCCOCCCC,-1.85 | |
| CCCCCCCCCCCCO,-4.8 | |
| CCN2c1nc(N(C)(CCO))ccc1NC(=O)c3cccnc23 ,-3.36 | |
| CCCC(C)(C)O,-0.49 | |
| Nc1nc(=O)[nH]cc1F,-0.972 | |
| CCCCOc1ccc(C(=O)OCC)c(c1)N(CC)CC ,-3.84 | |
| CCCCCC(C)(C)O,-1.72 | |
| Cc1c(C)c(C)c(C)c(C)c1C,-5.23 | |
| CC(C)c1ccc(C)cc1O,-2.22 | |
| c2cnc1ncncc1n2,0.02 | |
| CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O,-4.66 | |
| C,-0.9 | |
| c2ccc1NCCc1c2 ,-1.04 | |
| O=N(=O)c1cccc2ccccc12,-3.54 | |
| CCC(C)C(=O)C,-0.67 | |
| Nc1nc(O)nc2nc[nH]c12 ,-3.401 | |
| OC(CC(c1ccccc1)c3c(O)c2ccccc2oc3=O)c4ccc(cc4)c5ccc(Br)cc5 ,-4.445 | |
| CN(=O)=O,0.26 | |
| CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,-4.88 | |
| C=CCCC=C,-2.68 | |
| c2ccc1[nH]ccc1c2,-1.52 | |
| CC34CCC1C(CCC2=CC(=O)CCC12C)C3CCC4=O,-3.69 | |
| CCCCC=C,-3.23 | |
| Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O,-3.79 | |
| CCC1CCCCC1,-4.25 | |
| CCCCCCCC(=O)C,-2.58 | |
| COC(=O)Nc2nc1ccc(cc1[nH]2)C(=O)c3ccccc3,-3.88 | |
| CC(C)OC(=O)Nc1cccc(Cl)c1,-3.38 | |
| CCN2c1nc(Cl)ccc1N(C)C(=O)c3cccnc23 ,-4.114 | |
| CNC(=O)Oc1cccc2ccccc12,-3.224 | |
| C#C,0.29 | |
| Cc1cncc(C)c1,0.38 | |
| C1C=CCC=C1,-2.06 | |
| CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,-2.518 | |
| CC(O)c1ccccc1,-0.92 | |
| CC(Cl)CCl,-1.6 | |
| CCCC=C(CC)C=O,-2.46 | |
| CCOP(=S)(OCC)SCCSCC,-4.23 | |
| CC(=O)OC3(C)CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C ,-5.284 | |
| Clc1ccc(cc1)c2c(Cl)cccc2Cl ,-6.14 | |
| Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,-6.02 | |
| Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,-4.46 | |
| c1(C(=O)OCCCCCC(C)(C))c(C(=O)OCCCCCC(C)(C))cccc1,-6.637 | |
| CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO,-3.24 | |
| Cc1cc(C)cc(C)c1,-3.4 | |
| CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC ,-5.115 | |
| CCCCCCCCCCCCCCCO,-6.35 | |
| Clc1cccc(Cl)c1c2c(Cl)cccc2Cl ,-7.39 | |
| O=C1NC(=O)NC(=O)C1(C)C,-1.742 | |
| CC(C)I,-2.09 | |
| O=N(=O)c1ccccc1N(=O)=O,-3.1 | |
| CC(C)C(=O)C,-0.12 | |
| CCCCCCCCCCCCCCCC,-8.4 | |
| CC12CCC(CC1)C(C)(C)O2,-1.74 | |
| Cc2cccc3sc1nncn1c23 ,-2.07 | |
| CCCCCCC(=O)C,-2.05 | |
| CCCCCCCCC(=O)OC,-3.38 | |
| Fc1ccc(F)cc1,-1.97 | |
| O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13,-2.676 | |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O,-5.68 | |
| CCO,1.1 | |
| O=C2NC(=O)C1(CCCC1)C(=O)N2,-2.349 | |
| c1c(NC(=O)OC(C)C(=O)NCC)cccc1,-1.83 | |
| CC(C)=CC3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C ,-5.24 | |
| CN(C)C(=O)NC1CCCCCCC1,-2.218 | |
| ClC1(C2(Cl)C3(Cl)C4(Cl)C5(Cl)C1(Cl)C3(Cl)Cl)C5(Cl)C(Cl)(Cl)C24Cl,-6.8 | |
| CCCCCCCCBr,-5.06 | |
| CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,-4.883 | |
| CN(C)c2c(C)n(C)n(c1ccccc1)c2=O ,-0.364 | |
| CCC(O)CC,-0.24 | |
| Cc1ccc(cc1)N(=O)=O,-2.49 | |
| CC(C)CCCO,-1.14 | |
| CC34CCC1C(CCC2=CC(=O)CCC12O)C3CCC4(O)C#C,-4.57 | |
| CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 ,-4.93 | |
| Nc2cnn(c1ccccc1)c(=O)c2Cl,-2.878 | |
| CCC(C)(C)O,0.15 | |
| Cc1ccc(O)cc1,-0.73 | |
| CCOC=O,0.15 | |
| CN(C)c1ccccc1,-1.92 | |
| C1CCC2CCCCC2C1,-5.19 | |
| CCCCS,-2.18 | |
| c1ccc2c(c1)c3cccc4ccc5cccc2c5c43,-7.8 | |
| ClC(=C(Cl)Cl)Cl,-2.54 | |
| CCC(=O)CC,-0.28 | |
| C=CC#N,0.15 | |
| CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,-5.613 | |
| CCCCC(=O)C,-0.8 | |
| CCNc1nc(NC(C)(C)C)nc(OC)n1,-3.239 | |
| CCCCC(C)CC,-5.16 | |
| BrCCBr,-1.68 | |
| CNC(=O)Oc1ccccc1C(C)C,-2.863 | |
| O=C1NCCN1c2ncc(s2)N(=O)=O,-3.22 | |
| C1c2ccccc2c3ccc4ccccc4c13,-6.68 | |
| COc1ccccc1Cl,-2.46 | |
| COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,-6.09 | |
| ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O,-5.03 | |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 ,-7.2 | |
| COC(=O)C=C,-0.22 | |
| CN(C)C(=O)Nc2ccc(Oc1ccc(Cl)cc1)cc2,-4.89 | |
| N(=Nc1ccccc1)c2ccccc2,-4.45 | |
| CC(C)c1ccc(C)cc1,-3.77 | |
| Oc1c(Cl)cccc1Cl,-1.79 | |
| OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O ,0.79 | |
| OC1C(O)C(O)C(O)C(O)C1O,0.35 | |
| Cn2c(=O)n(C)c1ncn(CC(O)CO)c1c2=O,-0.17 | |
| OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,-2.111 | |
| CCC(O)(CC)CC,-0.85 | |
| CC45CCC2C(CCC3CC1SC1CC23C)C4CCC5O,-5.41 | |
| Brc1ccccc1Br,-3.5 | |
| Oc1c(Cl)cc(Cl)cc1Cl,-2.34 | |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O,-5.16 | |
| C2c1ccccc1N(CCF)C(=O)c3ccccc23 ,-4.799 | |
| CC(C)C(=O)C(C)C,-1.3 | |
| O=C1NC(=O)NC(=O)C1(C(C)C)CC=C(C)C,-2.593 | |
| c1c(O)C2C(=O)C3cc(O)ccC3OC2cc1(OC),-2.943 | |
| Cn1cnc2n(C)c(=O)n(C)c(=O)c12,-0.876 | |
| CC(=O)SC4CC1=CC(=O)CCC1(C)C5CCC2(C)C(CCC23CCC(=O)O3)C45,-4.173 | |
| Cc1ccc(O)cc1C,-1.38 | |
| O(c1ccccc1)c2ccccc2,-3.96 | |
| Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl ,-8.56 | |
| NC(=O)c1cccnc1 ,0.61 | |
| Sc1ccccc1,-2.12 | |
| CNC(=O)Oc1cc(C)cc(C)c1,-2.581 | |
| ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,-6.86 | |
| CSSC,-1.44 | |
| NC(=O)c1ccccc1,-0.96 | |
| Clc1ccccc1Br,-3.19 | |
| COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O,-0.742 | |
| CCCCC(O)CC,-1.47 | |
| CCN2c1nc(C)cc(C)c1NC(=O)c3cccnc23 ,-4.554 | |
| Oc1cc(Cl)cc(Cl)c1,-1.34 | |
| Cc1cccc2c1ccc3ccccc32,-5.85 | |
| CCCCC(CC)CO,-2.11 | |
| CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,-4.286 | |
| Cc1ccccc1,-2.21 | |
| Clc1cccc(n1)C(Cl)(Cl)Cl,-3.76 | |
| C1CCC=CCC1,-3.18 | |
| CN(C)C(=S)SSC(=S)N(C)C ,-3.9 | |
| COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O,-3.246 | |
| CCCCCCCCCCO,-3.63 | |
| CCC(C)(C)CC,-4.23 | |
| CNC(=O)C(C)SCCSP(=O)(OC)(OC),1.144 | |
| Oc1cc(Cl)c(Cl)c(Cl)c1Cl,-3.15 | |
| CCCC=O,-0.01 | |
| CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O ,-4.9 | |
| CCCC,-2.57 | |
| COc1ccccc1O,-1.96 | |
| CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14,-4.099 | |
| ClC(Cl)C(Cl)(Cl)Cl,-2.6 | |
| CCOC(=O)c1ccccc1C(=O)OCC,-2.35 | |
| CC(C)CO,0.1 | |
| CC(C)Cc1ccccc1,-4.12 | |
| ICI,-2.34 | |
| CCCC(O)CCC,-1.4 | |
| CCCCCOC(=O)C,-1.89 | |
| Oc1c(Cl)c(Cl)cc(Cl)c1Cl,-3.37 | |
| CCCc1ccccc1,-3.37 | |
| FC(F)(Cl)C(F)(F)Cl,-2.74 | |
| CC=CC=O,0.32 | |
| CN(C)C(=O)N(C)C ,0.94 | |
| Cc1cc(C)c(C)cc1C,-4.59 | |
| CC(=O)OC3(CCC4C2CCC1=CC(=O)CCC1C2CCC34C)C#C,-4.8 | |
| CCOP(=S)(OCC)N2C(=O)c1ccccc1C2=O,-3.35 | |
| c1ccccc1NC(=O)c2c(O)cccc2,-3.59 | |
| CCN(CC)C(=S)SCC(Cl)=C,-3.39 | |
| ClCC,-1.06 | |
| CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C,-3.24 | |
| O=C(C=CC=Cc2ccc1OCOc1c2)N3CCCCC3,-3.46 | |
| CC/C=C\C,-2.54 | |
| CNC(=O)ON=C(CSC)C(C)(C)C ,-1.62 | |
| O=C2NC(=O)C1(CCCCCCC1)C(=O)N2,-2.982 | |
| c1(C(C)(C)C)cc(C(C)(C)C)cc(OC(=O)NC)c1,-4.24 | |
| Oc2cc(O)c1C(=O)CC(Oc1c2)c3ccc(O)c(O)c3,-3.62 | |
| O=C(c1ccccc1)c2ccccc2,-3.12 | |
| CCCCCCCCCCCCCCCCCCCC,-8.172 | |
| N(Nc1ccccc1)c2ccccc2 ,-2.92 | |
| CCC(CC)CO,-1.17 | |
| Oc1ccncc1,1.02 | |
| Cl\C=C/Cl,-1.3 | |
| CC1CCCC1,-3.3 | |
| CC(C)CC(C)O,-0.8 | |
| O2c1ccc(N)cc1N(C)C(=O)c3cc(C)ccc23 ,-3.928 | |
| CC(C)(C)CO,-0.4 | |
| CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,-3.61 | |
| Cc1cc(no1)C(=O)NNCc2ccccc2,-2.461 | |
| CC=C,-1.08 | |
| Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,-3.953 | |
| CCOC(=O)Nc2cccc(OC(=O)Nc1ccccc1)c2 ,-4.632 | |
| O=C1c2ccccc2C(=O)c3ccccc13,-5.19 | |
| CCCCCCC(C)O,-2.09 | |
| CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,-2.281 | |
| CCCCc1ccccc1,-4.06 | |
| O=C1NC(=O)C(=O)N1 ,-0.4 | |
| COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,-6.237 | |
| NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23,-3.451 | |
| CC(C)COC(=O)C,-1.21 | |
| CC(C)C(C)(C)C,-4.36 | |
| Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl ,-7.66 | |
| N#Cc1ccccc1C#N,-2.38 | |
| Cc1cccc(c1)N(=O)=O,-2.44 | |
| FC(F)(F)C(Cl)Br ,-1.71 | |
| CNC(=O)ON=C(SC)C(=O)N(C)C,0.106 | |
| CCSCCSP(=S)(OC)OC,-3.091 | |
| CCC(C)C,-3.18 | |
| COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,-4.522 | |