smiles,score
CN1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.8105263157894737
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CCN(CCO)CC1)c1ccccc1S2,0.8144329896907216
CN1CCN(CCC=C2c3ccccc3Sc3ccc(N(C)S(C)(=O)=O)cc32)CC1,0.8085106382978723
CN1CCN(CC/C(N)=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7731958762886598
[2H]/C(CCN1CCN(C([2H])([2H])[2H])CC1)=C1\c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21,0.79
CC(CCN1CCN(C)CC1)=C1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21,0.7731958762886598
CCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CCN(C)CC1)c1ccccc1S2,0.8804347826086957
CN1CCN(CC/C=C2\c3ccccc3S(=O)c3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7551020408163265
CN(C)S(=O)(=O)c1ccc2c(c1)C(=CCCN1CCN(CCO)CC1)c1ccccc1S2,0.8144329896907216
[2H]C([2H])(/C=C1/c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)C([2H])([2H])N1CCN(C)CC1,0.797979797979798
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CCNCC1)c1ccccc1S2,0.7872340425531915
CN1CCN(CC/C(O)=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7731958762886598
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1.0
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1.0
C/C(CCN1CCN(C)CC1)=C1\c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21,0.7731958762886598
CN1CCN(CC/C=C2/c3ccccc3S(=O)c3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7551020408163265
[2H]C([2H])([2H])N1CCN(C([2H])([2H])C/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7745098039215687
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CC[NH+](C)CC1)c1ccccc1S2,0.7894736842105263
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CCN(CCO)CC1)c1ccccc1S2,0.8144329896907216
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1.0
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(N(C)S(C)(=O)=O)cc32)CC1,0.8085106382978723
CN(C)S(=O)(=O)c1ccc2c(c1)C(=CCCN1CC[NH+](C)CC1)c1ccccc1S2,0.7894736842105263
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)O)cc32)CC1,0.8333333333333334
CN1CC[NH+](CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7525773195876289
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)O)cc32)CC1,0.8333333333333334
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(N(C)S(C)(=O)=O)cc32)CC1,0.8085106382978723
CN1CCN(CC/C=C2\c3ccccc3Sc3cccc(S(=O)(=O)N(C)C)c32)CC1,0.7708333333333334
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CCNCC1)c1ccccc1S2,0.7872340425531915
[2H]C([2H])(C/C=C1/c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N1CCN(C)CC1,0.8709677419354839
[2H]/C(CCN1CCN(C)CC1)=C1\c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21,0.8901098901098901
CCN(C)S(=O)(=O)c1ccc2c(c1)C(=CCCN1CCN(C)CC1)c1ccccc1S2,0.8804347826086957
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CC[NH+](C)CC1)c1ccccc1S2,0.7894736842105263
CN1CCN(CCC=C2c3ccccc3Sc3cccc(S(=O)(=O)N(C)C)c32)CC1,0.7708333333333334
CN(C)S(=O)(=O)c1ccc2c(c1)C(=CCCN1CCNCC1)c1ccccc1S2,0.7872340425531915
CNC(=O)CCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0.7692307692307693
[2H]C([2H])([2H])N(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CC([2H])([2H])N1CCN(C)CC1)c1ccccc1S2,0.7745098039215687