ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926134 | O=S(=O)(Cc1nnc(C2CC2)n1C1CC1)c1ccccc1Cl | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch1][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=S(=O)(C3)c1ccccc1Cl.c13nnc5n14.C15CC1.C14CC1 |
1926135 | COc1ccc(S(=O)(=O)N=c2[nH]c(C)cs2)c(C)c1F | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][NH1][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][F] | c13ccc(S(=O)(=O)N=c2[nH]c(C)cs2)c(C)c1F.CO3 |
1926136 | CN(C)C(=O)CN(Cc1nc(-c2cccs2)n[nH]1)c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc8n[nH]1.c16ccccc1.c18cccs1.C3(=O)C4.CN3C.N456.C57 |
1926138 | CN1CCOC2CN(c3ccc(Br)cc3C#N)CC21 | [C][N][C][C][O][C][C][N][Branch1][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][#N][C][C][Ring1][=C][Ring2][Ring1][C] | CN1CCOC2CN4CC21.c14ccc(Br)cc1C#N |
1926139 | N#Cc1cc(Br)ccc1NCC(O)c1ccncc1 | [N][#C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | N#Cc1cc(Br)ccc13.c14ccncc1.C2C4O.N23 |
1926140 | CN(C)c1nccc(CNC2CC(=O)N(C)C2c2ccc(F)cc2)n1 | [C][N][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][O][C][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | C15CC(=O)N(C)C17.c14nccc6n1.c17ccc(F)cc1.CN4C.C36.N35 |
1926141 | COc1cc(NC(=O)N(C)C(C)c2ccccc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Ring1] | c15cc7ncn1.c18ccccc1.C34=O.N46C.C68C.CO5.N37 |
1926142 | Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCCOC(C)C | [C][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][O][C][Branch1][C][C][C] | Cc1nc2ccc(Cl)cc2cc17.C6CCC4.C37=O.C5(C)C.N36.O45 |
1926143 | Cc1ccc(CN(CCO)C(=O)NC(C)c2nc(C)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc9cc1.c18nc(C)cs1.N356.C6CO.C34=O.C78C.C59.N47 |
1926144 | Cc1[nH]c2ncnc(NC(=O)CC3CCOCC3)c2c1C | [C][C][NH1][C][=N][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][C][=Ring2][Ring1][Ring1][C] | Cc1[nH]c2ncnc5c2c1C.C16CCOCC1.C4(=O)C6.N45 |
1926145 | CCOCCC1(C(=O)N2CCc3cnccc32)CCC1 | [C][C][O][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring1][#C] | N14CCc2cnccc21.C178CCC1.C6C8.C47=O.CC5.O56 |
1926146 | CC1CCC(C(=O)Nc2cccc(-c3ncn(C)n3)c2)O1 | [C][C][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][O][Ring2][Ring1][Ring2] | c15cccc7c1.CC1CCC6O1.c17ncn(C)n1.C46=O.N45 |
1926147 | Cc1cc(C)n(CC(=O)Nc2cccc(-c3ncn(C)n3)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n6n1.c15cccc7c1.c17ncn(C)n1.C6C4=O.N45 |
1926148 | Cn1cnc(-c2cccc(NC(=O)C3CNC(=O)C3)c2)n1 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][Ring1][#C][=N][Ring2][Ring1][Ring2] | c17cccc5c1.Cn1cnc7n1.C16CNC(=O)C1.C46=O.N45 |
1926149 | Cn1cc(S(=O)(=O)NCC2(c3ccncc3)CCCCC2)cn1 | [C][N][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][=N][Ring2][Ring1][=Branch1] | Cn1cc(S5(=O)=O)cn1.C167CCCCC1.c17ccncc1.N45.C46 |
1926150 | Cc1ncsc1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][#C] | c14ccc7c(F)c1.Cc1ncsc15.c17nnnn16.C35=O.C6(C)C.N34 |
1926151 | COC(=O)C(NC(=O)Cc1ccon1)c1ccc2ccccc2c1 | [C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c17ccc2ccccc2c1.C3(=O)C57.c16ccon1.C4(=O)C6.CO3.N45 |
1926152 | Nc1nccnc1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=Ring1][#C] | Nc1nccnc15.c17cccc6c1.c14ccn7n1.C6(F)(F)F.C35=O.N34 |
1926153 | O=C1CCC(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)N1 | [O][=C][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=Ring1][#C][N][Ring2][Ring1][#Branch1] | c18cccc7c1.O=C1CCC6N1.c15ccn8n1.C7(F)(F)F.C46=O.N45 |
1926154 | O=C(Nc1cccc(OCCc2ccccc2)c1)N1CCC(O)C1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | c17cccc6c1.c18ccccc1.N14CCC(O)C1.O=C34.C5C8.N37.O56 |
1926155 | O=C1CCCN1CCc1nc(Cc2ccccc2)cs1 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | O=C1CCCN13.c14nc5cs1.c16ccccc1.C3C4.C56 |
1926156 | c1ccc(Cc2csc(NC3CCOCC3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][S][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c1ccc7cc1.c16csc4n1.C15CCOCC1.C67.N45 |
1926157 | O=c1ccn(Cc2nc(Cc3ccccc3)cs2)c(=O)[nH]1 | [O][=C][C][=C][N][Branch2][Ring1][Ring2][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] | O=c1ccn4c(=O)[nH]1.c15nc6cs1.c17ccccc1.C45.C67 |
1926158 | CC(=O)NCCc1nc(Cc2ccccc2Br)cs1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][S][Ring1][=N] | c17ccccc1Br.c15nc6cs1.CC3=O.C4C5.N34.C67 |
1926159 | CC(=O)N(C)CCc1nc(Cc2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c15nc6cs1.c17ccccc1.CC3=O.N34C.C4C5.C67 |
1926160 | CC(=O)N(CCc1nc(Cc2ccccc2)cs1)C(C)C | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N][C][Branch1][C][C][C] | c16nc7cs1.c18ccccc1.CC3=O.N345.C4C6.C5(C)C.C78 |
1926161 | C(=Cc1nc2ccccc2o1)c1cn(Cc2cccnc2)nn1 | [C][=Branch1][#C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][N] | C=3c1nc2ccccc2o1.C=3c1cn4nn1.c15cccnc1.C45 |
1926162 | Cn1cnnc1SCc1ccc(Br)c2cccnc12 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c14ccc(Br)c2cccnc12.Cn1cnnc15.S35.C34 |
1926163 | COC(=O)C1(NC(=O)Nc2ccc(Br)cc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17ccc(Br)cc1Cl.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926164 | O=S(=O)(Nc1cn[nH]c1)c1cc(Cl)cc2c1OCC2 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1] | O=S3(=O)c1cc(Cl)cc2c1OCC2.c14cn[nH]c1.N34 |
1926165 | Cc1n[nH]cc1NS(=O)(=O)c1cc(Cl)cc2c1OCC2 | [C][C][=N][NH1][C][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1] | S3(=O)(=O)c1cc(Cl)cc2c1OCC2.Cc1n[nH]cc14.N34 |
1926166 | COC(=O)c1ccccc1Cn1nccc1-c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccccc15.n14nccc16.c16cccnc1.C23=O.CO2.C45 |
1926167 | COC(=O)c1ccccc1COc1cc(C)n(C)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1] | c15ccccc16.c14cc(C)n(C)n1.C25=O.CO2.C36.O34 |
1926168 | CN(C)c1nc(Cn2nnnc2-c2ccccc2F)ns1 | [C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][S][Ring2][Ring1][C] | c16ccccc1F.c13nc5ns1.n14nnnc16.CN3C.C45 |
1926169 | COc1cc(Br)ccc1CCCn1ncn(C)c1=O | [C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][C][N][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=O] | c12cc(Br)ccc14.n13ncn(C)c1=O.C4CC3.CO2 |
1926170 | Brc1cncc(-c2nccn2CC2CC2)c1 | [Br][C][=C][N][=C][C][Branch1][=C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][=C][Ring1][#C] | Brc1cncc5c1.c15nccn13.C14CC1.C34 |
1926171 | CNC(=O)C(Cc1ccccc1)Nc1ccc2c(c1)CCCC(=O)N2 | [C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2] | c15ccc2c(c1)CCCC(=O)N2.C3(=O)C4C6.c16ccccc1.CN3.N45 |
1926173 | c1ccc(Cc2nnc(NCc3nnc4ccccn34)s2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][N][=C][Branch1][S][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][S][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | c18nnc2ccccn12.c1ccc9cc1.c17nnc6s1.C79.N56.C58 |
1926174 | COCC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c15nc6cs1.c17ccccc1.C4C3=O.CO4.N35.C67 |
1926175 | COCCC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][O][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c15nc6cs1.c17ccccc1.C4CC3=O.CO4.N35.C67 |
1926176 | CCOCC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.C5C3=O.CC4.O45.N36.C78 |
1926178 | Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCCc1nccn1C | [C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C] | Cc1nn4c(C)c1S3(=O)=O.c15nccn1C.C4C(C)C.C2C5.N23 |
1926179 | Cc1cnc(CNS(=O)(=O)c2c(C)nn(CC(C)C)c2C)s1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][#Branch2][C][S][Ring2][Ring1][Branch1] | S4(=O)(=O)c1c(C)nn5c1C.Cc1cnc6s1.C5C(C)C.C36.N34 |
1926180 | CC1OCCC1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 | [C][C][O][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C] | c15ccc7c(Cl)c1.CC1OCCC16.N14CCOCC1.C36=O.N35.C47 |
1926181 | Cn1cc(Cl)cc1CNC(=O)N1CCCC(C2(C)OCCO2)C1 | [C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][Ring1][N] | Cn1cc(Cl)cc16.N14CCCC7C1.C17(C)OCCO1.C34=O.C56.N35 |
1926182 | CNC(=O)Cc1ccc(NCc2cn(C)nc2C2CCCCC2)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc5cc1.c17cn(C)nc18.C18CCCCC1.C3(=O)C6.CN3.N45.C47 |
1926183 | COC(=O)C1(CNC(=O)c2ccnn2C)CCCCC1 | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][S] | C178CCCCC1.c16ccnn1C.C37=O.C46=O.CO3.C58.N45 |
1926184 | COC(=O)C1(NC(=O)Nc2cccc(Br)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][=C] | c17cccc(Br)c1.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926185 | COC(=O)C1(NC(=O)Nc2ccc(Cl)cc2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17ccc(Cl)cc1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926186 | COC(=O)C1(NC(=O)Nc2ccc(C)cc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17ccc(C)cc1Cl.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926187 | COC(=O)C1(NC(=O)Nc2cc(F)ccc2F)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] | c17cc(F)ccc1F.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926188 | COC(=O)C1(NC(=O)Nc2ccc(C)cc2Br)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][C][C][Ring1][#C] | c17ccc(C)cc1Br.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926190 | COC(=O)C1(NC(=O)Nc2ccc(F)cc2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17ccc(F)cc1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926191 | COC(=O)C1(NC(=O)Nc2ccc(Br)cc2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17ccc(Br)cc1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926192 | COC(=O)C1(NC(=O)Nc2cc(Cl)ccc2F)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] | c17cc(Cl)ccc1F.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926193 | COC(=O)C1(NC(=O)Nc2ccc(C)c(Br)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][C][C][Ring1][#C] | c17ccc(C)c(Br)c1.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926194 | O=C(NCCCn1ccnn1)Nc1ccc2c(c1)oc1ccccc12 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c16ccc2c(c1)oc1ccccc12.n17ccnn1.C5CC7.O=C34.N35.N46 |
1926195 | COC(=O)C1(NC(=O)Nc2ccc(F)cc2Br)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][C][C][Ring1][#C] | c17ccc(F)cc1Br.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926196 | COC(=O)C1(NC(=O)Nc2ccc(Cl)c(F)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C] | c17ccc(Cl)c(F)c1.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926197 | COC(=O)C1(NC(=O)Nc2cc(Br)ccc2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17cc(Br)ccc1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926198 | COC(=O)C1(NC(=O)Nc2cccc(Br)c2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17cccc(Br)c1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926199 | COC(=O)C1(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring1][C] | c17ccc9cc1Cl.C168CC1.C9(F)(F)F.C38=O.C45=O.CO3.N46.N57 |
1926201 | COC(=O)C1(NC(=O)Nc2cc(F)c(F)c(F)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][Ring1][S] | c17cc(F)c(F)c(F)c1.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926202 | COC(=O)C1(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring2][Ring1][C] | c17cccc9c1.C9C(F)(F)F.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926203 | COC(=O)C1(NC(=O)Nc2cccc(F)c2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][#C] | c17cccc(F)c1C.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926204 | COC(=O)C1(NC(=O)Nc2cc(C)ccc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17cc(C)ccc1Cl.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1926206 | C#Cc1cc(F)c(NC(=O)NC2(C(=O)OC)CC2)c(F)c1 | [C][#C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Ring1] | C#Cc1cc(F)c7c(F)c1.C168CC1.C45=O.C38=O.N47.N56.O3C |
1926207 | O=C(c1cc2ccccn2c1)N1CCC(OCC2CCOC2)CC1 | [O][=C][Branch1][=C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][C][Branch1][#Branch2][O][C][C][C][C][O][C][Ring1][Branch1][C][C][Ring1][=N] | c16cc2ccccn2c1.N13CCC5CC1.C17CCOC1.O=C36.O45.C47 |
1926209 | CCOCC1CCN(C(=O)Nc2cc(C)ccn2)C1 | [C][C][O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][Ring1][#C] | c17cc(C)ccn1.C18CCN3C1.C34=O.CC5.O56.C68.N47 |
1926210 | COCCNC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][O][C][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c17nc8cs1.c19ccccc1.C5C6.C34=O.CO5.N36.N47.C89 |
1926211 | CC(C)(CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.CC5(C)CO.C34=O.N35.N46.C78 |
1926212 | O=C(NCCO)Nc1nc(Cc2ccccc2)cs1 | [O][=C][Branch1][Branch1][N][C][C][O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.O=C34.C5CO.N35.N46.C78 |
1926213 | Cc1nc(CNC(=O)Nc2sc(-c3ccccc3)nc2C)no1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=N][O][Ring2][Ring1][=Branch1] | c17sc9nc1C.Cc1nc8no1.c19ccccc1.C45=O.C68.N46.N57 |
1926214 | CC(C)n1nnnc1-c1ccccc1NC(=O)NCc1cnn(C)c1 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c18ccccc15.n16nnnc18.c17cnn(C)c1.CC6C.C23=O.N25.N34.C47 |
1926215 | O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1CCOC(CO)C1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C][N][C][C][O][C][Branch1][Ring1][C][O][C][Ring1][Branch2] | c15ccc7c(F)c1.c17cccc(F)c1.N14CCOC6C1.O=C34.N35.C6O |
1926216 | O=C(Nc1ncn(C2CCCCC2)n1)c1cccc2cn[nH]c12 | [O][=C][Branch2][Ring1][Ring1][N][C][N][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c15cccc2cn[nH]c12.c14ncn6n1.C16CCCCC1.O=C35.N34 |
1926218 | O=C(NC1CCCN(c2cccnc2)C1=O)c1nccc2ccccc12 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15nccc2ccccc12.C14CCCN6C1=O.c16cccnc1.O=C35.N34 |
1926219 | COC(=O)C1CC(NC(=O)c2cccc(F)n2)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C3(=O)C1CC(N4)c2ccccc21.c15cccc(F)n1.C45=O.CO3 |
1926220 | Cc1nc(C)c(C(=O)N2CCCC(C3(C)OCCO3)C2)o1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][Ring1][N][O][Ring2][Ring1][Ring2] | Cc1nc(C)c5o1.N14CCCC6C1.C16(C)OCCO1.C45=O |
1926221 | CN(CC1CC1)C(=O)NC1CCCN(c2cccnc2)C1=O | [C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O] | C16CCCN8C1=O.c18cccnc1.CN35.C17CC1.C34=O.C57.N46 |
1926222 | CC(N(C)C(=O)NC1CCCN(c2cccnc2)C1=O)C1(C)CC1 | [C][C][Branch2][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Branch1][C][C][C][C][Ring1][Ring2] | C16CCCN8C1=O.c18cccnc1.C17(C)CC1.CC57.N35C.C34=O.N46 |
1926223 | CC(=O)c1ccc(NC(=O)CCc2ccncc2)cc1Cl | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c15ccc4cc1Cl.c16ccncc1.C3(=O)CC6.CC5=O.N34 |
1926224 | CN(C)c1cnccc1NC(=O)C1CCCc2sccc21 | [C][N][Branch1][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][=Branch2] | C3(=O)C1CCCc2sccc21.c14cnccc15.CN4C.N35 |
1926226 | CCc1nc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)co1 | [C][C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][S][Ring1][N][=C][O][Ring2][Ring1][Ring2] | c18sc(C)nc1C.c17nc6co1.c15nc8cs1.C46=O.CC7.N45 |
1926228 | CCc1nc(C(=O)NCCc2cccc(C(=O)NC)c2)co1 | [C][C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][=C][O][Ring2][Ring1][Ring2] | c19cccc7c1.c18nc6co1.C36=O.C5C9.C47=O.CC8.N35.N4C |
1926229 | Cc1noc(-c2ccccc2)c1C(=O)N1CCC(C(F)(F)F)CC1 | [C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2] | Cc1noc6c14.N13CCC5CC1.c16ccccc1.C5(F)(F)F.C34=O |
1926230 | NC(=O)N1CCCC(Nc2nc(-c3cccnc3)nc3c2CCC3)C1 | [N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][Ring1][Branch1][C][Ring2][Ring1][=Branch1] | c15nc7nc2c1CCC2.N14CCCC6C1.c17cccnc1.NC4=O.N56 |
1926231 | Cc1cc(C2CCN(c3nccn(C4CC4)c3=O)CC2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][=N][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=O][C][C][Ring1][S][NH1][N][=Ring2][Ring1][Branch1] | c15nccn6c1=O.C17CCN5CC1.Cc1cc7[nH]n1.C16CC1 |
1926232 | OCC1CN(c2nccc(Oc3ccc(F)cc3)n2)C1 | [O][C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=C][C][Ring2][Ring1][C] | c16nccc4n1.c15ccc(F)cc1.C17CN6C1.OC7.O45 |
1926233 | CCOC(=O)c1coc(NCC(O)c2ccccc2F)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch1][S][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][S] | c18ccccc1F.c17coc6n1.C5C8O.C37=O.CC4.O34.N56 |
1926234 | CCOC(=O)c1cccnc1N1CCN(Cc2c(C)noc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][=C] | c17cccnc16.N16CCN5CC1.c18c(C)noc1C.C37=O.CC4.O34.C58 |
1926235 | Cc1cncc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 | [C][C][=C][N][=C][C][Branch2][Ring1][O][N][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c17ccc(S5(=O)=O)cc1.Cc1cncc6n1.N15CCCC1.N46.C47 |
1926236 | Cc1cccc(C(=O)NCCNc2noc(-c3ccccc3)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][#Branch1] | Cc1cccc8c1.c17noc9n1.c19ccccc1.C48=O.C5C6.N45.N67 |
1926237 | O=c1ccccn1CCCCNc1noc(-c2ccccc2)n1 | [O][=C][C][=C][C][=C][N][Ring1][=Branch1][C][C][C][C][N][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | O=c1ccccn15.c14noc6n1.c16ccccc1.C5CCC3.N34 |
1926238 | CCn1cc(C2CCN(c3cc(OC)nc(COC)n3)CC2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring2][C][O][C][=N][Ring1][O][C][C][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | c16cc5nc8n1.C19CCN6CC1.n17cc9cn1.CC7.O5C.C48.O4C |
1926239 | CNc1nc(NCCn2cc(C)cn2)ncc1Br | [C][N][C][=N][C][Branch1][=C][N][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][#C][Br] | c14nc5ncc1Br.n16cc(C)cn1.C3C6.CN4.N35 |
1926240 | CN(Cc1nccs1)c1nnc(-c2ccccc2Cl)s1 | [C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][N] | c16ccccc1Cl.c14nnc6s1.c15nccs1.CN34.C35 |
1926241 | Cn1cnc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1 | [C][N][C][=N][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | c18ccc7cc1.c16ccc(Cl)cc1.Cn1cnc8n1.C4(=O)C5.N47.O56 |
1926242 | Cc1occc1C(=O)NCC1(c2ccncc2)CCCCC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][N] | C167CCCCC1.Cc1occc15.c17ccncc1.C35=O.N34.C46 |
1926244 | Cc1nc2ncc(C(=O)Nc3cc(F)ccc3-n3cccn3)cc2[nH]1 | [C][C][=N][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] | Cc1nc2ncc6cc2[nH]1.c15cc(F)ccc17.n17cccn1.C46=O.N45 |
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