mol
stringlengths 17
198
| Class
int64 0
1
|
|---|---|
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C1[NH2+]Cc2c(C1)cccc2 | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc3c([nH]nc3CC)cc2)C)CN1C)c1cc(F)ccc1 | 0 |
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCC)cc1 | 0 |
Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F | 0 |
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccccc1 | 0 |
O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1 | 0 |
S1(=O)(=O)CC(Cc2cc(CO)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2 | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OCC)c(O)cc2)C)CN1C)c1cc(F)ccc1 | 0 |
Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1 | 0 |
O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N | 0 |
FCCOc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1 | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C | 0 |
Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C | 0 |
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1 | 0 |
O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)C)c1cc(ccc1)C(C)(C)C | 0 |
OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1 | 0 |
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C | 0 |
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C | 0 |
S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC(C)C)ccc1)C | 0 |
O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C | 0 |
O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1 | 0 |
Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C | 0 |
FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C | 0 |
Fc1c2c(ccc1)C(N=C2N)(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1 | 0 |
O=C1N(CCCCCC)C(=NC1(C1CCCCC1)c1ccccc1)N | 0 |
Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1 | 0 |
Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O | 0 |
n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1 | 0 |
FC(F)(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1 | 0 |
FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC | 0 |
S1(=O)(=O)CC(Cc2cc3c([nH]nc3)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1 | 0 |
FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C | 0 |
S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C | 0 |
O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1 | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1 | 0 |
O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C | 0 |
Clc1cc(F)c(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(-n2ccnc2)ccc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2 | 0 |
Clc1cc(ccc1O)C[NH+]1CCC2(N(S(=O)(=O)N(C2)C)c2cc(F)ccc2)CC1C | 0 |
s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1 | 0 |
S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1 | 0 |
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC)cc1 | 0 |
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCCC1 | 0 |
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C | 0 |
Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1CC)c1cc(F)ccc1 | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1 | 0 |
O1c2c(cc(cc2)-c2ccccc2OC)C2(N=C(N)N(C)C2=O)CC1(C)C | 0 |
Clc1cc(cc(Cl)c1NC(=O)C(C)C)CNC(=[NH2+])NC(=O)Cn1c2c(cccc2)cc1 | 0 |
s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC | 0 |
O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1 | 0 |
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C | 0 |
S(=O)(=O)(N(C)c1nc(N(CC2CC2C)C)cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C | 0 |
S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1 | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C | 0 |
Clc1cc2CC(N=C(NC(Cc3cscc3-c3ccncc3)C(=O)[O-])c2cc1)(C)C | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1 | 0 |
S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)CCCOC)C | 0 |
Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1 | 0 |
Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1 | 0 |
Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC | 0 |
Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(SC3)N)(C)C)cc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CC(OC)COC)C(O)C[NH2+]Cc1cc(OC)ccc1 | 0 |
S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1 | 0 |
S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1 | 0 |
Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1 | 0 |
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C | 0 |
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C | 0 |
Clc1cc(ccc1)-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1 | 0 |
O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)(C)C | 0 |
O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1 | 0 |
Clc1cnccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1 | 0 |
s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1 | 0 |
Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 | 0 |
O=C(NCC)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1 | 0 |
S1(=O)(=O)CC(Cc2cc(OCCC)ccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1 | 0 |
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C(C)C)c1cc(F)ccc1 | 0 |
O(C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C | 0 |
O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1 | 0 |
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ncnc(c1)C(C)(C)C | 0 |
Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C | 0 |
Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1 | 0 |
Clc1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1 | 0 |