smiles
stringlengths 2
148
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CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(C)=O)CC2)C(=O)NCc1cccc(F)c1 |
Cc1c(Cl)cccc1/N=C(\O)C[C@@]([O-])(c1nccn1C)C(F)(F)F |
CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CC1 |
Cc1cnc2c(Cl)c(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)nn2c1 |
CC(C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 |
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)C[C@@H](C)O1 |
CCCCOc1cc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1OC |
C[NH+]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 |
O[C@H]1CCCC[C@@H]1[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 |
CC[C@](C)([C@H](N)Cc1nc2ccccc2s1)[NH+]1CCCC1 |
C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccoc1 |
C[C@@H]1CCC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 |
CC(C)(C)c1ncc2c(n1)CN(C(=O)c1c(F)cccc1Cl)C2 |
Cc1nnc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)s1 |
[NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)CC1 |
COC(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 |
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1csc(C(C)C)n1 |
CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)CC3N=CC=N3)cc(-c3ccccc3)c2)CC1 |
Fc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)cc1 |
O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)NCc1ccccc1F |
COc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(OC)c1OC |
Cc1ccc(O[C@@H](C)C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 |
C[C@@H](c1cccc[nH+]1)N(C)Cc1cccn1-c1ncccn1 |
CC[C@@H]1CC[C@@]2(C[NH+]=C(N)N2CC(C)C)C1 |
Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1F |
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2F)n1 |
COc1ccc(SCC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 |
CCOCCN(C)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 |
CCCCCC[NH2+]Cc1ccc(O[C@@H](C)CC)cc1O[C@H](C)CC |
CCc1onc(C)c1NC(=O)N[C@@H](c1ccccc1)c1ccco1 |
Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCC[NH+](C)C |
Cc1cc(CN(C)[C@@H](C(=O)N2CCCC2)c2ccccc2)no1 |
CC(C)NC(=O)[C@@H](C)N1CCN(C[C@H](C)CN)CC1 |
CCOc1cc(CN(C)C(=O)NCc2cc[nH]n2)ccc1OC(F)F |
CCCCOCCCNC(=O)N1CCOCC1 |
O=c1[nH]c2ccccc2cc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 |
CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O |
CC(C)(C#N)NC(=O)COc1ccccc1F |
Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCCC2)Cc2ccccc2-3)cc1 |
CCOC(=O)c1ccc(NC[C@@H](C(C)C)N2CCN(C)CC2)nc1 |
Cc1n[nH]c(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)n1 |
CC[C@H](NC(=O)N[C@@H](C)CCCO)c1cc(F)ccc1F |
Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 |
O=C(CCn1ncc2c1CCCC2)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)[nH+]1 |
Cc1nc(/N=C(\[O-])c2cc(-c3ccc(F)c(F)c3)on2)sc1-c1nc(-c2ccccc2)no1 |
CC(C)Oc1ccccc1NC(=O)c1cccc2ncccc12 |
Cc1cc(C)c(NC(=O)CCn2cnc3sccc3c2=O)c(C)c1 |
CC(=O)Nc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1C |
CC(C)NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 |
CCn1c(CNC(=O)c2ccccc2S(=O)(=O)CC)nc2ccccc21 |
C[C@H]1CCC[C@@]([C@H](N)Cc2cc(Br)ccc2F)([NH+](C)C)C1 |
Cc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 |
COc1ccc(CN(C)[C@@H](C)CN2CCOCC2)cc1F |
CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)cc1 |
Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc[nH+]c3)no2)cc1 |
C[NH+]1CCC(C(=O)N2CC[NH2+][C@H](C(=O)[O-])C2)(c2ccccc2)CC1 |
Cc1nnc(SCC[C@H]2CCCC2=O)n1C |
Cc1cc(C)cc(CC(=O)C2(N(C)C)CCC(C)CC2)c1 |
C[C@H](NCc1cc(F)c([O-])c(F)c1)c1ccccc1Br |
Cc1ccc2cc3cc(C(=O)N[C@H](C)CCc4ccco4)oc3nc2c1 |
C[C@H]1CC(=O)[C@@H](CN(C)CC(C)(C)O)[C@H](C)C1 |
C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 |
C[C@H]1C[C@H]1[C@H]([NH2+][C@@H]1C[C@H](C)N(C)C1)c1ccccc1 |
CCc1nn(C)c(OC)c1CNC(=O)c1cc(-c2ccccc2)no1 |
Cn1c(C(=O)Nc2cccc(Cl)n2)cc(Cl)c1Cl |
O=C(Nc1cccc(OCCN2CCOCC2)c1)c1ccnc(N2CCCC2)c1 |
Cc1cc(N2CCC([NH+](C)Cc3nc4ccc(F)cc4[nH]3)CC2)ncn1 |
COC1(C[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CCOCC1 |
Clc1ccc(N2CCOCC2)c(NCc2nc(-c3ccco3)no2)c1 |
CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 |
O[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 |
Fc1ccc(F)c(CNCc2cnn(-c3ccccc3)n2)c1 |
Cc1ccc(C(=O)NCCNC(=O)NCCc2ccc(F)cc2C)cc1 |
C[C@H](NC(=O)Nc1ccccc1F)c1ncn[nH]1 |
Cn1cc(CCC(=O)Nc2ccccc2C(F)(F)F)cn1 |
C1C[C@H](C[NH+]2CCOCC2)CN(Cc2nc(CC3CC3)no2)C1 |
CC[NH+](C)Cc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 |
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC[C@@H](O)c1ccccc1 |
C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(NC(C)=O)c1 |
CC(=O)Nc1cccc(-n2cnnc2S[C@@H]2CCN(c3ccccc3)C2=O)c1 |
CCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])C(C)C |
CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 |
CC(C)(C[NH2+]Cc1cc(Br)cs1)C(=O)[O-] |
Cc1cccc(OC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1C |
O=C(NCCCCOCc1ccccc1)N1CCCN(CC(F)(F)F)CC1 |
COc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)c(OC)c1 |
CC(C)N1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 |
CCN[C@H](c1ccccc1F)[C@@](C)(CC)[NH+]1CCCCC1 |
[NH3+][C@@H](c1ccc(-n2cccc2)cc1)C(F)(F)F |
C[C@@H](c1ccc([S@@](C)=O)cc1)[NH+](C)Cc1cnnn1C |
CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1CCc2nc(C)cn2C1 |
Cc1c(NCc2cn(-c3ccccc3)nc2C(C)C)cccc1C(N)=O |
O=C1CC[C@@H](C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])N1 |
C[C@H](CCc1ccccc1)N[C@H](C)[C@@H]1CCC[NH+](C)C1 |
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 |
CC1CCC(NC(=O)N[C@H]2CCCC[C@H]2CO)CC1 |
COc1ccccc1OCC(=O)NCCN1CCC(OC)CC1 |
Cc1cn[nH]c1[C@H]1CCC[NH+]1Cc1cnn(C2CCCC2)c1 |
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1OC |
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 |