ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
44131 | CC(C)OC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][#N][O][C][O][Ring1][O] | c17nc2cc3c(cc2cc1C#N)OCO3.C4(=O)C6.CC5C.O45.S67 |
44132 | CNc1nc(-c2ccc3c(c2)CCN3C(=O)CC(C)(C)C)c(C)s1 | [C][N][C][=N][C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][C][S][Ring2][Ring1][=Branch1] | c16ccc2c(c1)CCN24.c15nc6c(C)s1.C4(=O)CC(C)(C)C.CN5 |
44133 | Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O][=N][O][Ring2][Ring1][Branch1] | Cc1cc6no1.c17ncc8[nH]1.c18ccccc1.C4(=O)C5.N46.S57 |
44134 | O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][N][N][C][C][C][C][C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15ncc6[nH]1.N13CCCCC1.O=C3C4.S45 |
44135 | Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CC1 | [C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | Cn1c6nnc18.c17ccccc1.C4C3=O.C15CC1.C67.S48.N35 |
44136 | CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CC1 | [C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | n16c7nnc19.c18ccccc1.C4C3=O.C15CC1.CC6.C78.S49.N35 |
44137 | COC(=O)CSc1nnc(C)n1Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc(C)n14.c15ccccc1.C2(=O)C3.CO2.S36.C45 |
44138 | COc1cccc(-n2c(C)nnc2SCC(N)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][Branch1][C][N][=O][=C][Ring1][P] | c13cccc5c1.n15c6nnc1C.C4C(N)=O.CO3.S46 |
44139 | CNC(=O)CSc1nnc(C)n1Cc1ccccc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc(C)n14.c15ccccc1.C2(=O)C3.CN2.S36.C45 |
44140 | CNC(=O)CSc1nnc(C)n1-c1ccccc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc(C)n14.c14ccccc1.C2(=O)C3.CN2.S35 |
44141 | CNC(=O)CSc1nnc(C)n1-c1cccc(OC)c1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c16nnc(C)n15.c15cccc3c1.C2(=O)C4.CN2.S46.O3C |
44142 | Cc1nnc(SCC(=O)NC(C)(C)C)n1CCc1ccccc1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n15.c16ccccc1.C4C2=O.C3(C)(C)C.C5C6.S47.N23 |
44143 | CCn1c(C)nnc1SCC(=O)NC1CCCC1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | n15c6nnc1C.C14CCCC1.C3C2=O.CC5.S36.N24 |
44145 | Cc1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1 | [C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n15.c16ccccc1.N13CCCC1.C4C3=O.S47.C56 |
44147 | Cc1ccc(NC(=O)CSc2nnc(C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nnc(C)n1C.C3(=O)C4.N35.S46 |
44148 | Cc1ccccc1NC(=O)CSc1nnc(C)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C] | Cc1ccccc14.c15nnc(C)n1C.C2(=O)C3.N24.S35 |
44149 | CCn1c(C)nnc1SCC(=O)Nc1cc(C)ccc1OC | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | c15cc(C)ccc13.n16c7nnc1C.C4C2=O.CC6.S47.N25.O3C |
44150 | COc1ccc(NC(=O)CSc2nnc(C)n2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7c5c1.c18nnc(C)n1C.C3(=O)C6.CO4.N37.S68.O5C |
44151 | Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C] | c16ccc2c(c1)OCO2.Cc1nnc7n1C.C5C4=O.S57.N46 |
44152 | Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1C | [C][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | c17ccc2c(c1)OCO2.Cc1nnc8n1C.C6C4=O.S68.N45.C57 |
44153 | COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18nnc(C)n1C.C4(=O)C5.C37=O.CO3.N46.S58 |
44154 | CCn1c(C)nnc1SCC(=O)Nc1ccccc1F | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n15c6nnc1C.c14ccccc1F.C3C2=O.CC5.S36.N24 |
44155 | Cc1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1nnc8n16.c15ccccc1F.c17ccco1.C4C3=O.S48.N35.C67 |
44158 | CCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | n15c6nnc1C.c14nnc(C)s1.C3C2=O.CC5.S36.N24 |
44159 | Cc1nnc(SCC(=O)NC2CC2)n1CCc1ccccc1 | [C][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][Ring1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc8n16.c17ccccc1.C4C3=O.C15CC1.C6C7.S48.N35 |
44161 | CCCc1nnc(SCC(=O)N(CC)CC)n1C | [C][C][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][N][Ring1][=C][C] | c16nnc7n1C.C5C2=O.CCC6.N234.S57.C3C.C4C |
44162 | CCCc1nnc(SCC(=O)NC(C)(C)C)n1C | [C][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C] | c15nnc6n1C.C4C2=O.C3(C)(C)C.CCC5.S46.N23 |
44163 | CCCc1nnc(SCC(=O)N2CCCC2)n1C | [C][C][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C] | c15nnc6n1C.N13CCCC1.C4C3=O.CCC5.S46 |
44164 | CCCc1nnc(SCC(=O)N2CCCC2)n1Cc1ccco1 | [C][C][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][C][=C][C][=C][O][Ring1][Branch1] | c16nnc8n15.N13CCCC1.c17ccco1.C4C3=O.CCC6.S48.C57 |
44165 | CCCc1nnc(SCC(=O)N2c3ccccc3CC2C)n1CC | [C][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1][C][C] | N14c2ccccc2CC1C.c17nnc8n16.C5C4=O.CCC7.S58.C6C |
44166 | CCCc1nnc(SCC(=O)N2CCCCC2C)n1C | [C][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][S][C] | c15nnc6n1C.N13CCCCC1C.C4C3=O.CCC5.S46 |
44167 | CCCc1nnc(SCC(=O)N2CCCCC2C)n1CC | [C][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][S][C][C] | c16nnc7n15.N13CCCCC1C.C4C3=O.CCC6.S47.C5C |
44168 | CCCc1nnc(SCC(=O)N2CCCC(C)C2)n1CC | [C][C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][Ring1][S][C][C] | c16nnc7n15.N13CCCC(C)C1.C4C3=O.CCC6.S47.C5C |
44169 | CCCc1nnc(SCC(=O)N2C(C)CCCC2C)n1C | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][N][Ring1][P][C] | N13C(C)CCCC1C.c15nnc6n1C.C4C3=O.CCC5.S46 |
44170 | CCCc1nnc(SCC(=O)N2C(C)CCCC2C)n1CC | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][N][Ring1][P][C][C] | N13C(C)CCCC1C.c16nnc7n15.C4C3=O.CCC6.S47.C5C |
44171 | CCCc1nnc(SCC(=O)N2CCCc3ccccc32)n1CC | [C][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][C][C] | N14CCCc2ccccc21.c17nnc8n16.C5C4=O.CCC7.S58.C6C |
44172 | CCCc1nnc(SCC(=O)N2CCOCC2)n1C | [C][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C] | c15nnc6n1C.N13CCOCC1.C4C3=O.CCC5.S46 |
44173 | CCCc1nnc(SCC(=O)N2CCOCC2)n1CC | [C][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C][C] | c16nnc7n15.N13CCOCC1.C4C3=O.CCC6.S47.C5C |
44176 | CCCc1nnc(SCC(=O)NC2CC2)n1C | [C][C][C][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][Ring1][=N][C] | c16nnc7n1C.C4C3=O.CCC6.C15CC1.S47.N35 |
44177 | COC(=O)CSc1nc(C(C)C)nc2ccccc12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c16nc5nc2ccccc12.C3(=O)C4.C5(C)C.CO3.S46 |
44178 | Cn1c(SCC(=O)NC2CC2)nnc1-c1ccco1 | [C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | Cn1c6nnc17.c17ccco1.C4C3=O.C15CC1.S46.N35 |
44179 | CCn1c(SCC(=O)NC(C)C)nnc1-c1cccnc1 | [C][C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c6nnc17.c17cccnc1.C4C2=O.C3(C)C.CC5.S46.N23 |
44180 | CC(C)c1nnc(SCC(=O)NC(C)(C)C)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C] | c15nnc6n1C.C4C2=O.C3(C)(C)C.CC5C.S46.N23 |
44181 | CC(C)c1nnc(SCC(=O)NC2CCCC2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][#C][C] | c16nnc7n1C.C15CCCC1.C4C3=O.CC6C.S47.N35 |
44182 | CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][S][C] | c16nnc7n1C.C15CCCCC1.C4C3=O.CC6C.S47.N35 |
44183 | CC(C)c1nnc(SCC(=O)N2CCc3ccccc32)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring2][Ring1][C][C] | N14CCc2ccccc21.c16nnc7n1C.C5C4=O.CC6C.S57 |
44184 | CC(C)c1nnc(SCC(=O)N2c3ccccc3CC2C)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1][C] | N14c2ccccc2CC1C.c16nnc7n1C.C5C4=O.CC6C.S57 |
44185 | CC(C)c1nnc(SCC(=O)N2CCCc3ccccc32)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][C] | N14CCCc2ccccc21.c16nnc7n1C.C5C4=O.CC6C.S57 |
44186 | CC(C)c1nnc(SCC(=O)N2CCOCC2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C] | c15nnc6n1C.N13CCOCC1.C4C3=O.CC5C.S46 |
44188 | CC(C)c1nnc(SCC(=O)NCc2ccco2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][S][C] | c16nnc8n1C.c17ccco1.C5C3=O.CC6C.S58.N34.C47 |
44190 | Cc1nc(NC(=O)CSc2nnc(C(C)C)n2C)sc1C | [C][C][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][S][C][=Ring2][Ring1][Ring1][C] | Cc1nc5sc1C.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
44191 | Cc1csc(NC(=O)CSc2nnc(C(C)C)n2C)n1 | [C][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | c17nnc6n1C.Cc1csc5n1.C3(=O)C4.C6(C)C.N35.S47 |
44192 | Cc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][S][Ring2][Ring1][Ring1] | c17nnc6n1C.Cc1nnc5s1.C3(=O)C4.C6(C)C.N35.S47 |
44193 | CCN(CC)C(=O)CSc1nnc(C2CCCCC2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | c17nnc8o1.C18CCCCC1.C3(=O)C6.N345.CC4.C5C.S67 |
44194 | CC1CCCC(C)N1C(=O)CSc1nnc(C2CCCCC2)o1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | CC1CCCC(C)N13.c15nnc6o1.C16CCCCC1.C3(=O)C4.S45 |
44195 | Cc1occc1-c1nnc(SCC(=O)N2CCc3ccccc32)o1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][Ring2][Ring1][C] | N14CCc2ccccc21.Cc1occc17.c17nnc6o1.C5C4=O.S56 |
44196 | COCC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][Ring1][#C] | c17ccc6cc1.c15nnc7s1.C4C3=O.C6(C)(C)C.CO4.N35 |
44197 | COCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=N] | c17ccc5cc1.c16nnc7s1.C4C3=O.CO4.N36.O5C |
44198 | O=C(Nc1nnc(-c2cccnc2)s1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c14nnc6s1.c16cccnc1.O=C35.N34 |
44200 | COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccnc3)s2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][=Branch1] | c15cc6cc8c1.c17nnc9s1.c19cccnc1.C48=O.CO5.O6C.N47 |
44201 | CC(C)(C)CC(=O)Nc1nnc(-c2cccnc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | CC(C)(C)CC3=O.c14nnc5s1.c15cccnc1.N34 |
44203 | CCC(C)C(=O)Nc1nnc(-c2ccccc2)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] | CCC(C)C3=O.c14nnc5s1.c15ccccc1.N34 |
44204 | Cc1ccccc1-c1nnc(NC(=O)C2CC2)s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Ring1][O] | Cc1ccccc16.c16nnc4s1.C35=O.C15CC1.N34 |
44207 | COCC(=O)Nc1nnc(-c2ccccc2F)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15nnc6s1.C4C3=O.CO4.N35 |
44208 | CCC(C)C(=O)Nc1nnc(-c2ccccc2F)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c15ccccc1F.CCC(C)C3=O.c14nnc5s1.N34 |
44209 | O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][N][C][C][C][Ring1][Ring1] | c16ccccc1Cl.c14nnc6s1.O=C35.C15CC1.N34 |
44210 | O=C(Nc1nnc(COc2ccccc2)s1)C1CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][C][C][C][Ring1][Ring1] | c16nnc8s1.c15ccccc1.O=C37.C17CC1.N36.C48.O45 |
44211 | O=C(Nc1nnc(COc2ccccc2)s1)C1CCC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][C][C][C][C][Ring1][Ring2] | c16nnc8s1.c15ccccc1.C17CCC1.O=C37.N36.C48.O45 |
44212 | CCC(C)C(=O)Nc1nnc(COc2ccccc2)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | CCC(C)C3=O.c16nnc7s1.c15ccccc1.N36.C47.O45 |
44213 | CCC(C)C(=O)Nc1nnc(C2CCCC2)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] | CCC(C)C3=O.c14nnc5s1.C15CCCC1.N34 |
44214 | O=C(Nc1nnc(Cc2ccccc2)s1)C1CCC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][C][C][C][Ring1][Ring2] | c14nnc6s1.c17ccccc1.C15CCC1.O=C35.N34.C67 |
44215 | COc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c15cccc7c1.c16nnc8s1.c18cccs1.C47=O.CO5.N46 |
44216 | COCC(=O)Nc1nnc(-c2cccs2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | c15nnc6s1.c16cccs1.C4C3=O.CO4.N35 |
44217 | O=C(Nc1nnc(-c2cccs2)s1)C1CCC1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2][C][C][C][C][Ring1][Ring2] | c14nnc6s1.c16cccs1.C15CCC1.O=C35.N34 |
44218 | CCC(C)C(=O)Nc1nnc(-c2cccs2)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | CCC(C)C3=O.c14nnc5s1.c15cccs1.N34 |
44219 | CCCC(=O)N(C)c1nnc(-c2ccc(F)cc2)s1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(F)cc1.c14nnc5s1.CCCC3=O.N34C |
44220 | CC(C)C(=O)N(C)c1nnc(-c2ccc(F)cc2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(F)cc1.c14nnc5s1.CC(C)C3=O.N34C |
44221 | CN(C(=O)c1ccco1)c1nnc(-c2ccc(F)cc2)s1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(F)cc1.c14nnc6s1.c15ccco1.CN34.C35=O |
44222 | CCC(=O)N(C)c1nnc(-c2ccc(F)cc2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(F)cc1.c14nnc5s1.CCC3=O.N34C |
44223 | CCN(CC)C(=O)CSc1nc(N)c2c(C)c(C)sc2n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][N] | c17nc(N)c2c(C)c(C)sc2n1.C3(=O)C6.N345.CC4.C5C.S67 |
44224 | CCC(=O)N(CC)c1nnc(-c2ccc(F)cc2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(F)cc1.c15nnc6s1.CCC3=O.N345.C4C |
44225 | Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nnc5s1.c16cccnc1.N45C.C46=O |
44226 | Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nnc5s1.c16ccncc1.N45C.C46=O |
44227 | CCC(=O)N(C)c1nnc(-c2ccc(C)cc2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(C)cc1.c14nnc5s1.CCC3=O.N34C |
44228 | CCN(C(C)=O)c1nnc(-c2ccc(C)cc2)s1 | [C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(C)cc1.c15nnc6s1.N345.C3(C)=O.CC4 |
44229 | CC(=O)N(C)c1nnc(-c2ccc(Cl)cc2)s1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(Cl)cc1.c14nnc5s1.CC3=O.N34C |
44230 | CCC(=O)N(C)c1nnc(-c2ccc(Cl)cc2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(Cl)cc1.c14nnc5s1.CCC3=O.N34C |
44231 | CCCC(=O)N(C)c1nnc(-c2ccc(OC)cc2)s1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=N] | c16ccc4cc1.c15nnc6s1.CCCC3=O.N35C.O4C |
44233 | Cc1ccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c15nnc7s1.c17ccncc1.C46=O.N45C |
44234 | CN(C(=O)c1ccccc1F)c1nnc(-c2ccncc2)s1 | [C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15ccccc1F.c14nnc6s1.c16ccncc1.CN34.C35=O |
44235 | Cc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][Branch1] | Cc1cccc6c1.c15nnc7s1.c17ccncc1.C46=O.N45C |
44236 | CN(C(=O)CC(C)(C)C)c1nnc(-c2ccncc2)s1 | [C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | C3(=O)CC(C)(C)C.c14nnc5s1.c15ccncc1.CN34 |
44237 | CCN(C(=O)c1ccccc1)c1nnc(-c2ccncc2)s1 | [C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c16ccccc1.c15nnc7s1.c17ccncc1.N345.C36=O.CC4 |
44238 | CCCC(=O)N(CC)c1nnc(-c2ccncc2)s1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16ccncc1.CCCC3=O.N345.C4C |
44239 | CCN(C(=O)CC(C)C)c1nnc(-c2ccncc2)s1 | [C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | C3(=O)CC(C)C.c15nnc6s1.c16ccncc1.N345.CC4 |
44240 | CCCN(C(=O)CC)c1nnc(-c2ccncc2)s1 | [C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16ccncc1.C3(=O)CC.CCC4.N345 |
44241 | CCC(=O)N(CC(C)C)c1nnc(-c2ccncc2)s1 | [C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c15nnc6s1.c16ccncc1.CCC3=O.C4C(C)C.N345 |
44243 | CC(C)CC(=O)N(C)c1nnc(-c2cccnc2)s1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | CC(C)CC3=O.c14nnc5s1.c15cccnc1.N34C |
44244 | Cc1cccc(C(=O)N(C)c2nnc(-c3cccnc3)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][Branch1] | Cc1cccc6c1.c15nnc7s1.c17cccnc1.C46=O.N45C |
44245 | CN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1 | [C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccccc1.c16nnc7s1.c17cccnc1.C3(=O)C4.CN36.O45 |
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