SMILE
stringlengths 1
100
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stringlengths 3
558
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|---|---|
CC(Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(C(F)(F)F)c12)C(O)=NCC(F)(F)F | [C][C][Branch2][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][=C][C][Branch1][#Branch2][N][=S][Branch1][C][C][Branch1][C][C][=O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1][Ring1][#C][C][Branch1][C][O][=N][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)n1nc(-c2cccc(Cl)c2Cl)c(N)nc1=N | [C][C][Branch1][C][C][N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Branch1][C][N][=N][C][Ring1][#C][=N] |
Brc1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1Nc1cc(C2CC2)n[nH]1 | [Br][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2] |
COCCCOc1ccccc1C1CCN(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1 | [C][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring2][=Branch1][C][C][Branch1][C][N][C][Branch1][C][O][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch2] |
COc1cc(Nc2nc(NC3CCCCC3N)n3nc(-c4cccc(OC)c4)nc3c2C(N)=O)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring2][#C][N][C][N][=C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][N][N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][Ring1][=N][C][=Ring2][Ring1][=Branch2][C][Branch1][C][N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1] |
Cc1cccc(-c2cccc3cc(CNCCCC(=O)O)sc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][C][=C][Branch1][O][C][N][C][C][C][C][=Branch1][C][=O][O][S][C][Ring1][P][=Ring1][=N][=C][Ring2][Ring1][#Branch1] |
O=C(O)c1ccc(N2C(=O)CCC2=O)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N] |
Cc1ccc(S(=O)(=O)N2Cc3ccccc3OCC2Cc2ccc(OCCN3CCCCC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][O][C][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring2][Ring2] |
CCc1cc(C(=O)NC2CC(C(=O)NCCc3ccccn3)N(C(=O)c3coc4ccccc34)C2)n(C)n1 | [C][C][C][C][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][O][N][Branch1][C][C][N][=Ring2][Ring2][Ring2] |
O=C(O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 | [O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Ring2][O][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1] |
CN(c1ccccc1CSC(=N)N)c1ccccc1CSC(=N)N | [C][N][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=Branch1][C][=N][N] |
NC1CN(c2cc(-c3ccc(F)cc3)ncn2)CC1c1cc(F)c(F)cc1F | [N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=N][C][C][Ring2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
CNc1ccc2ncnc(Nc3cccc(Br)c3)c2n1 | [C][N][C][=C][C][=C][N][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] |
Oc1c(F)cc(-c2c(C=Cc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cc1F | [O][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][O][C][=C][Branch1][P][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=N][N][Ring2][Ring1][O][Ring1][N][C][=C][Ring2][Ring2][C][F] |
COc1cc(-c2nnc3n(C(C)c4cc(F)ccc4F)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 | [C][O][C][=C][C][Branch2][Ring2][Ring2][C][=N][N][=C][N][Branch1][P][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch2][N][C][=N][C][Branch1][C][C][=C][Ring1][=Branch1] |
N#CCCn1c(C(C#N)(CCC#N)CCC#N)nc2ccccc21 | [N][#C][C][C][N][C][Branch1][S][C][Branch1][Ring1][C][#N][Branch1][Branch1][C][C][C][#N][C][C][C][#N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCC(C)(C)C)CC1 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][N][Branch1][P][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2] |
CC(O)C(=O)NC(=Cc1ccc(Oc2ccccc2I)cc1)C(=O)O | [C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][=C][C][=Branch1][C][=O][O] |
COc1cc2c(cc1OC)C(c1cccc(C)c1)N(C(=O)c1sc3ccccc3c1Cl)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][C][C][Ring2][Ring1][=N] |
CCc1cc(C=CC(N)=O)cc(C(=O)c2ccccc2)c1 | [C][C][C][=C][C][Branch1][Branch2][C][=C][C][Branch1][C][N][=O][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
CCCCCC=CCC=CCCCCCCCCCC(=O)NCCO | [C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O] |
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C] |
Cc1ccc(OCc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)no2)cn1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][O][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][N] |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] |
CN(C(=O)C1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCOCC2=O)cc1 | [C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N] |
NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1 | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][=C][C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][C] |
CC1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(C(F)(F)F)cn1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] |
CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 | [C][C][C][N][C][=C][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][C][Ring1][#C][=N][Ring2][Ring1][C] |
COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)c(OC)c1 | [C][O][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CCC(CC)NCc1c(-c2ccccc2)nc2cc(C=CC(=O)NO)ccn12 | [C][C][C][Branch1][Ring1][C][C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=Branch1][C][=O][N][O][C][=C][N][Ring2][Ring1][Branch1][Ring1][N] |
Oc1nc(-c2ccccc2F)nc2ccccc12 | [O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] |
O=C1C(=O)N(CN2CCCCC2)c2cccc(Cl)c21 | [O][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring2][Ring1][C] |
Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 | [C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][Ring1][#C] |
CC(=O)c1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Ring1][=N][N][C][=C][Ring2][Ring1][#Branch1] |
CCCCn1c(=NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 | [C][C][C][C][N][C][=Branch2][Ring1][N][=N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring2][Branch1] |
COC(C)(C)CCO | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][O] |
CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(O)CO)cc1-2 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][=C][C][Branch1][C][F][=C][Branch1][N][C][#C][C][Branch1][C][C][Branch1][C][O][C][O][C][=C][Ring1][=C][Ring2][Ring1][Ring2] |
CCCS(=O)(=O)NC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
O=C1Nc2ccccc2C1=Cc1ccccc1 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC1CNC(=O)CCCOC(=O)C(O)C(CC2CCCCC2)NC1=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][Ring2][Ring1][#Branch1][=O] |
CNC(Cc1ccc2c(c1)OCO2)c1ccccc1C | [C][N][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NCC1CCCO1 | [O][=C][Branch2][Ring1][=N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C][C][O][Ring1][Branch1] |
COc1ccc(C2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
O=C(O)C(Cc1ccc(O)cc1)N=C1SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccccc1 | [O][=C][Branch1][C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][S][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
N=C(N)c1ccc(Nc2nc3cc(C(=N)N)ccc3[nH]2)cc1 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
COc1ccc(Cc2nnc(Nc3ccc(C)cc3C)nc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][N][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][=C][Ring1][#C][O][C][=C][Ring2][Ring1][#Branch1] |
O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNCC(O)COc2ccc(O)cc2)cc1 | [O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#Branch2][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1F | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][C][Ring1][P][F] |
CCC(Sc1ccc(NC(=O)c2cccc(F)c2)nn1)C(=O)OC | [C][C][C][Branch2][Ring1][N][S][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][S][C][=Branch1][C][=O][O][C] |
COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(Cn3nnc4ccccc43)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring2][Ring1] |
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(Oc2ccccc2)c1 | [C][C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
CN(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CCS(=O)(=O)C1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
CC(C)C(=O)N1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2)C(NC(=O)c2ccc(Cl)s2)C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring2][Ring1][=C] |
Fc1cccc(F)c1-c1cc2c3c(c1)C1CNCCC1N3CCCS2 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][C][C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][S][Ring1][#C] |
Cn1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)n1 | [C][N][C][=C][C][Branch2][Ring1][Branch2][C][=C][NH1][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][Ring1][N][=N][Ring2][Ring1][Ring2] |
Cc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 | [C][C][=C][Branch1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][Ring1][Branch2][=C][Ring2][Ring1][Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][Ring1][P] |
COc1ccc2cc(C(C)c3nc4sc(=Cc5ccc(C)o5)c(=O)n4n3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][P][C][Branch1][C][C][C][N][=C][S][C][=Branch1][N][=C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][N][=Ring1][S][C][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CNC(=O)C(NC(=O)Nc1n[nH]c(=S)s1)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][N][C][=N][NH1][C][=Branch1][C][=S][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCc1oc2ccccc2c1Cc1ccc2c(I)c(OC(Cc3ccccc3)C(=O)O)ccc2c1 | [C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][C][I][=C][Branch2][Ring1][Ring1][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CS(=O)(=O)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][S][Ring2][Ring1][Branch2] |
O=C(c1ccco1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cnccc1-c1ccccc1F | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
NS(=O)(=O)c1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)s1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][S][Ring2][Ring1][Ring2] |
CCOC(=O)CCC(OOC(C)(C)C)(C(C)=O)C(C)=O | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][O][O][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=O] |
CCOc1ccc(-n2c(C)c3c(C)nnc(N4CC(C)OC(C)C4)c3c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][#Branch2] |
O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][O][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
COc1oc(=O)c2cc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc2c1Cl | [C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][N][C][=Ring2][Ring1][P][Cl] |
NNC(=O)CSc1nnc(CCCCCCCCc2nnc(SCC(=O)NN)o2)o1 | [N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][C][C][C][C][C][C][C][C][=N][N][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][N][O][Ring1][O][O][Ring2][Ring1][Branch2] |
COc1ccc(NC(=O)NC2CC(C)(C)Oc3ccc(Cl)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
COC1OC2(c3ccco3)CCC3CCCCC31OO2 | [C][O][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][S][O][O][Ring1][S] |
N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC1)CC2 | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring2][Ring2][C][C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=N] |
COc1ccc(C(N=C=S)P(=O)(OC(C)C)OC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][Ring2][N][=C][=S][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] |
CC(Cc1ccccc1)(C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 | [C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][C][Branch2][Ring1][O][C][N][C][C][C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][C][C][Ring2][Ring1][=Branch1] |
CCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O | [C][C][C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][Branch1][C][C][=O] |
CCOC(=O)C1=CC(C(C)C)N(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(C(C)C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CCC(c1nc2c(C)nsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1 | [C][C][C][Branch2][Ring1][=N][C][=N][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(S(=O)(=O)O)ccc1O | [O][=C][Branch2][Ring1][Ring2][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O] |
O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1)C(=O)c1cccn12 | [O][=C][C][C][Branch1][Branch2][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][Ring2][Ring1][=Branch1] |
O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NNC(=O)c1ccccc1O | [O][=C][Branch2][Ring1][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][C][O][Ring1][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
COc1ccc(CCc2cc(O)cc(O)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring1][S][O][C] |
CCc1[nH]c2nc(Oc3cnc4cccnc4c3)nc(N3CC4C(N)C4C3)c2c1Cl | [C][C][C][NH1][C][=N][C][Branch1][S][O][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][=C][N][C][C][C][Branch1][C][N][C][Ring1][Ring2][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][Cl] |
CCCC=C(CCC)C(NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 | [C][C][C][C][=C][Branch1][Ring2][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
N#CC1(C(=O)Nc2ccccc2)CC1 | [N][#C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
Cc1cc(O)cc(C)c1CC(N)C(=O)NC1CCNc2ccc(CC3Cc4ccccc4C3)cc21 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][Branch1][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][S][Ring2][Ring1][Ring2] |
CN1C2CC(O)CC1C(OC(=O)c1ccccc1)C2 | [C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] |
CC(=Nc1[nH]c(=O)cc2c1C(=O)CC2)N(C)C | [C][C][=Branch2][Ring1][Branch1][=N][C][NH1][C][=Branch1][C][=O][C][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1][N][Branch1][C][C][C] |
Oc1cnc2cc3c(cc2n1)C1CNCC3C1 | [O][C][=C][N][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][N][C][C][Ring1][#Branch2][C][Ring1][=Branch1] |
C=CC1(C)CCC2C(C)(CC(OC(C)=O)C3C(C)(C)CCCC32C)O1 | [C][=C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][N][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Branch2][Ring1][P][C][O][Ring2][Ring1][#Branch1] |
CCCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 | [C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)nc4ccccc4n23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CN=c1cccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)[nH]1 | [C][N][=C][C][=C][C][=C][Branch2][Ring1][O][N][N][=C][C][=C][N][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][=N][Ring1][S][NH1][Ring2][Ring1][=Branch1] |
COc1cc(-c2ccc3c(c2)Nc2c(cccc2OC)NC3=O)ccc1N | [C][O][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][Ring1][=C][=O][=C][C][=C][Ring2][Ring1][Branch2][N] |
CC(C)Oc1cc(F)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O | [C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][=O] |
COCC(=O)N1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] |
Cc1ccnn1CCC(=O)N1CC2CCC1CN(CC(=O)N(C)C)C2 | [C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N] |
Cc1nc(SSc2ccccc2C)n[nH]1 | [C][C][=N][C][Branch1][N][S][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][Ring1][=C] |
COc1cc2c(cc1O)CC1c3cc(OC)c(O)cc3CCN1C2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][N][Ring1][=N][C][Ring2][Ring1][Ring2] |
O=C(O)C1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)C=Cc1ccc(Cl)cc1Cl | [O][=C][Branch1][C][O][C][C][C][=C][C][Branch1][C][I][=C][Branch1][=Branch1][O][C][C][C][Cl][C][Branch1][C][I][=C][Ring1][=N][C][N][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
O=C1Nc2ccc(Cl)cc2C(C#Cc2cncnc2)(C2CC2)N1 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][O][C][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring2][Ring1][=Branch1] |
FC1(F)Oc2ccc(Nc3nnc(-c4cccnc4NCc4ccccn4)o3)cc2O1 | [F][C][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][=C] |
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3C4CCC(C4)C3N(Cc3cc(Cl)ccc3F)C1=O)N2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch2][Ring2][Branch2][C][=C][Branch1][C][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][N][Branch1][=C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Branch1][=O][N][Ring2][Ring1][#C] |
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