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stringlengths 1
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CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 | [C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][C][N][Ring1][Branch1] |
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cccc(C(F)(F)F)c1 | [N][#C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][P][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
Cc1ccc(C2(O)CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] |
NC(Cc1c[nH]cn1)C(=O)Cc1ccc(Cl)cc1 | [N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2C3CC4CC2CC(O)(C4)C3)C1 | [C][C][Branch1][C][C][C][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][=N] |
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][Cl][C][=C][Ring2][Ring1][Branch2] |
O=C1CCc2cc(S(=O)(=O)NC(=O)c3ccc4c(c3)CCO4)ccc2N1 | [O][=C][C][C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][N][Ring2][Ring1][=Branch2] |
Cc1[nH]c(C)c(-c2ccc(Oc3ccc(O)cc3)cc2)c(=O)c1Cl | [C][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][Cl] |
CC(C)(C)c1ccc(CN=C(S)NNc2ccc(NS(C)(=O)=O)cc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][C][S][N][N][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1] |
Cc1ccccc1-n1c(Cn2nc(-c3ccn[nH]3)c3c(N)ncnc32)cc2cccc(C)c2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring1][O][C][N][N][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=O] |
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2cccs2)c2ccc(C(=O)O)c(O)c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][P] |
CCc1ccc(C(=O)NC2CCN(c3ccn(C)n3)C2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][O][O][Ring2][Ring1][Ring1] |
CCC(O)(CC)c1ccccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2=O)CC1 | [C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][O] |
O=C(c1ccccc1F)N1CCN(C2c3ccccc3-c3ccccc32)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring1][Ring1] |
CN(C)Cc1ccc2c(c1)CN(C)CC2c1ccc2sccc2c1 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CCCS(=O)(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1] |
Cc1nc(Cc2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)n[nH]1 | [C][C][=N][C][Branch2][Ring1][=C][C][C][=C][C][=C][NH1][C][=C][Branch1][=C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S][=N][NH1][Ring2][Ring1][=Branch1] |
CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N1CCc2ccccc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
O=C(Nc1nc2cc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1)OCCF | [O][=C][Branch2][Ring2][S][N][C][=N][C][=C][C][Branch2][Ring1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O][O][C][C][F] |
Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][N] |
CC(C)CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(N(C)C)cc1 | [C][C][Branch1][C][C][C][C][N][C][Branch2][Ring1][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][=N][N][=C][Ring1][P][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC(=O)Nc4ccc(C(C)C)cc4)N3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=Branch1][C][=O][C][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][O][=O][C][=C][Ring2][Ring2][#Branch1] |
CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(-c3ccc(Cl)c(C#Cc4ccc(Cl)cc4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][C][Branch1][C][O][C][N][N][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][Branch1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring2][#Branch1] |
N#CCC1(n2cc(C(=N)O)c(=Nc3ccnc(F)c3)[nH]2)CCC(Nc2ccc(F)c(F)c2)CC1 | [N][#C][C][C][Branch2][Ring1][=N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][O][C][=Branch1][=N][=N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][Ring1][S][C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CCCCc1nc(CCCC)n(Cc2ccc(-c3cnccc3-c3nn[nH]n3)cc2)n1 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][=Ring2][Ring1][O] |
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cnccc12 | [C][O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][N][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
CN(C)CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21 | [C][N][Branch1][C][C][C][C][N][C][=C][Branch2][Ring1][C][C][=C][N][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
COc1ncc(CN=c2[nH]c(N3CC4CC4C3)ncc2C(O)=NCc2ncccn2)cc1Cl | [C][O][C][=N][C][=C][Branch2][Ring2][Branch1][C][N][=C][NH1][C][Branch1][O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][Branch1][C][O][=N][C][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][Cl] |
Cc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)c2ccccc12 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] |
CCn1ccnc1CNC1CC(=O)N(CCc2cccc(Cl)c2)C1 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#C] |
O=C(CCCC(=O)OCc1cn(CCc2ccccc2)nn1)OCc1cn(CCc2ccccc2)nn1 | [O][=C][Branch2][Ring1][=N][C][C][C][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][O][C][C][=C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N] |
CCNC(=O)C1CC2C(=O)CCCCC2N1S(=O)(=O)c1ccc(C)cc1 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch2][N][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
COc1cc2c(cc1Br)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][Ring2][Ring1][Ring2][=O] |
CC(C)C1OC(=O)C=C2C3(C)CC=CC4(C)C(=O)OC(C43)C3OC213 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][C][C][=C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Ring1][#Branch1][Ring1][N][C][O][C][Ring1][S][Ring2][Ring1][Branch1][Ring1][Ring1] |
CCCOc1nccc(N2CCC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1F | [C][C][C][O][C][=N][C][=C][C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][N][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2][F] |
COc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc(I)c1O | [C][O][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][Branch1][C][I][=C][Ring2][Ring1][#Branch1][O] |
Cc1cc(C)c(NC(=O)Nc2cc(-c3ccc(F)cc3)ccc2C(=O)NC(C(=O)O)C(C)OC(C)(C)C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring2][#Branch1] |
CC(=O)c1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] |
O=C(NCCc1nnc2n1CCC2)N1CCC2(CCCCC2)C1 | [O][=C][Branch1][S][N][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] |
O=C(Nc1nnc(-c2ccncc2)o1)C1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1] |
Cc1cc(COc2ccc(S(=O)(=O)CC(C3CCC(=O)CC3)N(O)C=O)cc2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring2][O][C][O][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][N][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][N][Branch1][C][O][C][=O][C][=C][Ring2][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][C] |
CN(Cc1cccc(F)c1)C(=O)CSc1nnc(C2CC2)n1C1CC1 | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1] |
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C] |
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | [O][=C][Branch2][Ring1][Branch1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] |
NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)CC1c1ccc(Cl)cc1 | [N][C][=Branch1][C][=S][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CCC(C)C(C(=O)NC1CCOC(c2nc(C(=O)NCCc3ccccc3)cs2)C1)N(C)C | [C][C][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][S][C][Ring2][Ring1][=Branch1][N][Branch1][C][C][C] |
CCC(C)NC(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P] |
O=C1c2cc3c(cc2-c2c1c1ccc(Cl)cc1c(=O)n2CC(O)C(O)C(O)CO)OCO3 | [O][=C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][O][C][O][Ring2][Ring1][N] |
N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2C1c1cccc(O)c1 | [N][#C][C][=C][Branch1][C][N][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][Ring1][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
OCC1C(c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1 | [O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nn(C)c2cn(C(C)C(=O)NCc3ccc(F)cc3)nc12 | [C][C][=N][N][Branch1][C][C][C][=C][N][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] |
CC1CCC(Cn2c(N3CCCC3c3ncn(C)n3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 | [C][C][C][C][C][Branch2][Branch1][=C][C][N][C][Branch2][Ring1][C][N][C][C][C][C][Ring1][Branch1][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=N][C][=C][C][Branch1][O][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=N][C][Branch1][N][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][Ring2][Ring1][P][C][C][Ring2][Ring2][Branch2] |
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccccc1Cc1ccccc1 | [C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=C][S][C][Ring1][=N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] |
O=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
COC(=O)C1C(=O)c2c(C)noc2CC1(C)C | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring1][O][Branch1][C][C][C] |
O=C(CNC(=O)c1ccc2ccccc2c1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] |
Cc1noc2ccc(-c3ccc(CC(C#N)NC(=O)C4CNCCCO4)cc3)cc12 | [C][C][=N][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][C][N][C][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][Ring2][Ring1][#Branch2] |
CCOc1ccc(N2CC(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][C][Branch2][Ring1][N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O] |
COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccc(-c3cccnc3)nc2)c1 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#C][C][=N][N][Branch1][Ring2][C][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][=C][Ring2][Ring1][O] |
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2ccccc2)CC1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CCNC(=O)OC1CCC2C(C(=O)Nc3ccc(N(C)C)cc3)CC1N2Cc1ccccc1 | [C][C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=O)Oc1ccc2c(c1)CCC1C2C(O[N+](=O)[O-])CC2(C)C(O[N+](=O)[O-])CCC12 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C][C][Branch1][C][C][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C][C][C][Ring2][Ring1][C][Ring1][#Branch2] |
COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CCCC(=O)NC1C(O)OC(CO)C(O)C1O | [C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O] |
CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][O][C][C] |
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cl)cc1Cl | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
FC(F)(F)c1cc(-n2cc(CN3CCN(C4CCCCC4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring1][#C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][=N][Ring2][Ring1][C][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=N][Ring2][Ring1][S] |
CCN(CC)C(=O)C1CC(=O)OC1(C)C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][Branch1][C][C][C] |
O=C1C=C(N2CC2)C(N2CC2)=CC1=O | [O][=C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][=Branch1][N][C][C][Ring1][Ring1][=C][C][Ring1][N][=O] |
CCCc1cc(O)nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 | [C][C][C][C][=C][C][Branch1][C][O][=N][C][Branch2][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=N][Ring2][Ring1][=Branch2] |
c1ccc(-c2cccc(Oc3cccc(Cn4ccnc4)c3)c2)cc1 | [C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CN1CCC(Oc2ccccc2Cc2ccc(Cl)cc2)CC1 | [C][N][C][C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] |
Cc1cc(C(=O)NC2CCCCC2C)c2ccccc2n1 | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] |
Nc1nc2nc(C(=O)NCc3c[nH]nn3)cnc2c(=O)[nH]1 | [N][C][=N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=N][Ring1][Branch1][=C][N][=C][Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] |
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 | [O][=C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Ring1][#C][=C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] |
CC(=O)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccsc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][S][C][=Ring1][Branch1] |
O=C(NCC1CCCO1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N] |
CN1CCN(c2cccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 | [C][N][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][Branch1][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][C][C][Ring1][=C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
O=C(NN=C1C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][=C][N][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COC1CN(C(=O)OC(C)(C)C)CC1NCc1ccn(C)c1 | [C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][N][C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1] |
NCCCCNCCCCCCNCc1c2ccccc2cc2ccccc12 | [N][C][C][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
C=CC(=O)NCCC1CC(c2ccccc2)Cc2ccc(OC)cc21 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring2][Ring1][C] |
CCNC1C(OC(C)=O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O | [C][C][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O] |
CC1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)NC(=O)NC1=O | [C][C][Branch2][Ring2][=N][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][C][Ring2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][S][=O] |
CC1(C)N2Cc3ccccc3CC2C(=O)N1C(Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(OS(=O)(=O)O)(C3)C1)C2 | [N][#C][C][C][C][C][C][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][C][Branch2][Ring1][=Branch1][C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][Branch1][Ring2][C][Ring1][O][C][Ring1][=C][C][Ring1][#C] |
CN(C)CCCNC(=O)c1cccc2c1ncc1ccccc12 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
Cc1cc2ccccc2nc1N1CCN(CCCCc2nc3c(c(=O)n2N)CCCC3)CC1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][C][=N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][N][C][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1] |
CC(C)(C)Nc1cc(C2CC2)nc(-c2ccccn2)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C] |
COc1ccc2c(c1)C1CC1(C(=O)N1C3CNCC1C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][Ring1][=Branch1][C][N][C][Ring2][Ring1][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][#C][Ring2][Ring1][Branch2] |
COCCN(C(=O)CSc1n[nH]c(-c2ccccc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O | [C][O][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O] |
N=C1COCC(c2cc(Nc3ncccc3OC(F)F)ccc2F)(C(F)F)N1 | [N][=C][C][O][C][C][Branch2][Ring1][O][C][=C][C][Branch1][S][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][P][F][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring2][Ring1][O] |
O=C(O)Cc1sc(NCCc2ccccc2)nc1-c1ccc(Cl)cc1 | [O][=C][Branch1][C][O][C][C][S][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CS(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S][=C][Ring2][Ring1][=Branch2] |
O=C1c2c(O)cccc2C(C(=O)C=Cc2cccs2)c2cccc(O)c21 | [O][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][=Branch2] |
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=N][Ring1][=Branch1] |
CCCCCCCCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O | [C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][=C][C][=C][Ring1][S][O] |
CCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C] |
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCN3CCCC3)[nH]c3ccc(Br)cc23)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][N][C][C][C][C][Ring1][Branch1][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1][=C][Ring2][Ring1][=N] |
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