ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26256 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC(C)C3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2cc(C#N)c6nc2c1.N14CCCC(C)C1.C5C4=O.S56 |
26257 | Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Ring1][P][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c2cc(C#N)c6nc2c1.N14CCCC1.C5C4=O.S56 |
26258 | Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c2cc(C#N)c6nc2c1.N14CCOCC1.C5C4=O.S56 |
26259 | Cc1cc2cc(C#N)c(SCC(=O)N3CCCC3)nc2cc1C | [C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc2cc(C#N)c6nc2cc1C.N14CCCC1.C5C4=O.S56 |
26260 | O=C(Nc1nnc(-c2cccnc2)s1)c1cccc(Cl)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][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c14nnc6s1.c16cccnc1.O=C35.N34 |
26261 | O=C(Nc1nnc(-c2cccnc2)s1)c1ccco1 | [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][O][Ring1][Branch1] | c14nnc6s1.c16cccnc1.c15ccco1.O=C35.N34 |
26262 | O=C(Nc1nnc(-c2cccnc2)s1)c1ccncc1 | [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][=N][C][=C][Ring1][=Branch1] | c14nnc6s1.c16cccnc1.c15ccncc1.O=C35.N34 |
26263 | O=C(Nc1nnc(-c2cccnc2)s1)C1CCC1 | [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][Ring1][Ring2] | c14nnc6s1.c16cccnc1.C15CCC1.O=C35.N34 |
26264 | O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cccc(Cl)c1.c14nnc6s1.c15ccncc1.O=C35.N34 |
26265 | O=C(Nc1nnc(C2CCCC2)s1)c1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14nnc6s1.C16CCCC1.O=C35.N34 |
26266 | O=C(Nc1nnc(C2CCCC2)s1)c1ccccc1F | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c14nnc6s1.C16CCCC1.O=C35.N34 |
26267 | O=C(Nc1nnc(C2CCCC2)s1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14nnc6s1.C16CCCC1.O=C35.N34 |
26268 | O=C(Nc1nnc(C2CCCC2)s1)C1CCC1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][C][C][C][Ring1][Ring2] | c14nnc6s1.C16CCCC1.C15CCC1.O=C35.N34 |
26271 | COc1ccccc1CNC(=O)Cn1nnc(-c2ccc(F)cc2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c14ccccc17.c18ccc(F)cc1.n16nnc8n1.C3(=O)C6.CO4.C57.N35 |
26272 | CC(C)NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c16ccc(F)cc1.n15nnc6n1.C3(=O)C5.CC4C.N34 |
26273 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16ccc(F)cc1.n15nnc7n1.O=C3C5.N34.C46 |
26274 | CC(NC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccs1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c17ccc(F)cc1.n15nnc7n1.c16cccs1.C3(=O)C5.CC46.N34 |
26275 | CNC(=O)CSc1nc(C)nc2sc3c(c12)CCC(C)C3 | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2] | c16nc(C)nc2sc3c(c12)CCC(C)C3.C4(=O)C5.CN4.S56 |
26276 | CC(=O)Nc1cnc(NC(=O)c2ccco2)cc1C | [C][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C] | c16cnc5cc1C.c17ccco1.CC3=O.C47=O.N36.N45 |
26278 | Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)c1cccc(F)c1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1cc5ncc16.c18cccc(F)c1.c17ccco1.C37=O.C48=O.N35.N46 |
26279 | Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C] | c16nnc5n1C.Cc1occc16.N13CCCC1.C4C3=O.S45 |
26281 | O=C(Nc1nc(Cc2ccccc2)n[nH]1)c1ccc2nccnc2c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14nc6n[nH]1.c17ccccc1.O=C35.N34.C67 |
26282 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2nccnc2c1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2nccnc2c1.c15ccccc17.N14CCCC1.O=C36.C47=O.N35 |
26283 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c14ccc(S6(=O)=O)cc1.N16CCCC7C1.C37=O.C5(C)C.CO4.N35 |
26284 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc(S6(=O)=O)cc1.N16CCCC8C1.C48=O.C17CC1.CO5.N47 |
26285 | CC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCCN5C1.CC4C.C36=O.N34 |
26286 | CC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | c16cc2cccc(C)c2n2nnnc12.C15CCCC1.CC3=O.N345.C46 |
26289 | CC1CCc2c(sc(NC(=O)C(C)C)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][O][C][Branch1][C][N][=O][C][Ring2][Ring1][C] | CC1CCc2c(sc4c25)C1.C3(=O)C(C)C.C5(N)=O.N34 |
26290 | O=C(CSc1nnc(-c2cccnc2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.c16cccnc1.N13CCOCC1.O=C3C4.S45 |
26291 | COC(=O)C(C)Sc1nnc(COc2cccc(C)c2)n1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c15cccc(C)c1.C3(=O)C6C.CO3.S68.C47.O45 |
26292 | Cc1cc2cccc(C)c2nc1SCC(=O)NCC1CCCO1 | [C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1cc2cccc(C)c2nc17.C16CCCO1.C5C3=O.S57.N34.C46 |
26293 | Cc1ccccc1-c1nnc(SCC(N)=O)n1Cc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc16.c16nnc5n13.c14ccccc1.C2C(N)=O.S25.C34 |
26294 | CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccco2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.n16c7nnc18.c18ccco1.C5C(N)=O.CC3.O34.S57 |
26295 | NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nnc6n14.c14ccc(F)cc1.c16ccco1.NC(=O)C3.S35 |
26296 | NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c14ccccc1.c16cccs1.NC(=O)C3.S35 |
26298 | CCc1ccc2c(c1)cc(C)c1nnc(SCC(N)=O)n12 | [C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][Ring1][S] | c14ccc2c(c1)cc(C)c1nnc5n12.C3C(N)=O.CC4.S35 |
26299 | CCn1c(=O)c2c(nc(SCC(N)=O)n2C)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][S][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][N][Branch1][C][C][C][Ring1][P][=O] | n14c(=O)c2c(nc5n2C)n(C)c1=O.C3C(N)=O.CC4.S35 |
26300 | CCOC(=O)CSc1nc(CC)nc2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17nc6nc2ccccc12.C3(=O)C5.CC4.O34.S57.C6C |
26301 | CCc1nc(SCC(=O)N(CC)CC)c2ccccc2n1 | [C][C][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c17nc8c2ccccc2n1.C6C3=O.N345.CC7.S68.C4C.C5C |
26302 | CCc1nc(SCC(=O)NC(C)(C)C)c2ccccc2n1 | [C][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c16nc7c2ccccc2n1.C5C3=O.C4(C)(C)C.CC6.S57.N34 |
26304 | CC(C)N(C(=O)CSc1nc(C2CC2)nc2ccccc12)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Branch1][C][C][C] | c17nc8nc2ccccc12.C3(=O)C6.CC4C.N345.C18CC1.C5(C)C.S67 |
26305 | O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nc6nc2ccccc12.N13CCOCC1.O=C3C4.C16CC1.S45 |
26306 | CC1CCN(C(=O)CSc2nc(C3CC3)nc3ccccc23)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1] | c16nc7nc2ccccc12.CC1CCN4CC1.C4(=O)C5.C17CC1.S56 |
26307 | NC(=O)CSc1nnc2c3c(-c4ccccc4)csc3ncn12 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][=C][N][Ring2][Ring1][C][Ring1][#C] | c16nnc2c3c7csc3ncn12.c17ccccc1.NC(=O)C5.S56 |
26308 | CCOC(=O)c1nnc(-c2cn(C)c3ccccc23)o1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][#C] | c17cn(C)c2ccccc12.c16nnc7o1.C46=O.CC5.O45 |
26309 | CCn1nnnc1SCC(=O)Nc1ccc(C)c(Cl)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(C)c(Cl)c1.n15nnnc16.C3C2=O.CC5.S36.N24 |
26310 | Cc1cnc(C(=O)Nc2cccc3cccnc23)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | c15cccc2cccnc12.Cc1cnc6cn1.C46=O.N45 |
26311 | CCNc1nnc(Cn2nnc3ccccc32)s1 | [C][C][N][C][=N][N][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring1][#C] | n16nnc2ccccc21.c15nnc7s1.CC4.N45.C67 |
26313 | Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c6nnc17.c15ccc(F)cc1.C4C3=O.C17CC1.S46.N35 |
26314 | Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1C | [C][C][=C][C][=C][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][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26315 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1C1CC1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c6nnc17.c15ccccc1F.C4C3=O.C17CC1.S46.N35 |
26316 | Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1C | [C][C][=C][C][=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][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26317 | Cc1cc(C)c(NC(=O)CSc2nnc(C(C)C)n2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=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][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(C)c1.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26318 | Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)c(C)c1 | [C][C][=C][C][=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][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5c(C)c1.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26319 | Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 | [C][C][=C][C][=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][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26320 | Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | Cc1cccc(C)c14.c16nnc5n1C.C2(=O)C3.C5(C)C.N24.S36 |
26321 | CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1C | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | c16ccccc14.c17nnc5n1C.C2(=O)C3.C5(C)C.CC6.N24.S37 |
26322 | CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 | [C][C][C][=C][C][=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][C][=C][Ring2][Ring1][Ring2] | c17ccc5cc1.c18nnc6n1C.C3(=O)C4.C6(C)C.CC7.N35.S48 |
26323 | Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1 | [C][C][=C][C][=C][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][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26324 | CC(=O)Nc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c17ccc8cc1.c19nnc%10n1C.C5(=O)C6.CC4=O.C1%10CC1.N47.N58.S69 |
26325 | Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2C)c1 | [C][C][=C][C][Branch1][C][C][=C][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][=C][Ring2][Ring1][Branch1] | Cc1cc5cc(C)c1.c17nnc6n1C.C3(=O)C4.C6(C)C.N35.S47 |
26326 | CNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][Branch1][C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][O][O][C][O][Ring1][Branch2] | c17nnc2c(C)cc3cc4c(cc3n12)OCO4.C5(=O)C6.CN5.S67 |
26327 | Cc1cc2cc3c(cc2n2c(SCC(N)=O)nnc12)OCO3 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring2][Ring1][C][Ring1][#Branch2][O][C][O][Ring1][P] | Cc1cc2cc3c(cc2n2c5nnc12)OCO3.C4C(N)=O.S45 |
26329 | CC(=O)c1cc2c(cc1NC(=O)c1cnc(C)cn1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][O][C][O][Ring1][P] | c16cc2c(cc14)OCO2.c15cnc(C)cn1.CC6=O.C35=O.N34 |
26330 | CC(=O)c1cc2c(cc1NC(=O)C1CCC1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][O][C][O][Ring1][=C] | c16cc2c(cc14)OCO2.C15CCC1.CC6=O.C35=O.N34 |
26331 | Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2[nH]c(=O)c8cc2c1.C17CCCCC1.N456.C47=O.C16CC1.C58 |
26332 | CCC(=O)Nc1nc(C)c(C(=O)N2CCOCC2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=C] | c15nc(C)c6s1.N14CCOCC1.CCC3=O.C46=O.N35 |
26334 | Cc1ccccc1NC(=O)c1ccc2nccnc2c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.Cc1ccccc14.C35=O.N34 |
26335 | O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c14cccc(F)c1.c16nnnn15.O=C2C3.S36.N24 |
26336 | O=C(CSc1nnnn1-c1cccc(F)c1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14cccc(F)c1.c15nnnn14.N12CCCCC1.O=C2C3.S35 |
26337 | O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccc(F)cc1.c16nnnn15.O=C2C3.S36.N24 |
26338 | O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cccc(F)c1.c14ccc(F)cc1.c16nnnn15.O=C2C3.S36.N24 |
26339 | O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14cccc(F)c1.c16nnnn15.O=C2C3.S36.N24 |
26340 | Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 | [C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][S][Ring1][#C][=N][O][Ring2][Ring1][#Branch1] | c17cc2c(C)nn8c2s1.Cc1cc6no1.c18ccccc1.C57=O.N56 |
26341 | Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.N13CCOCC1.c16ccco1.C4C3=O.S45 |
26342 | CC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2ccc(C)c(C)c2[nH]c1=O.c16cccs1.CC3=O.N345.C46.C57 |
26343 | Clc1ccc(Cc2nnc(-c3ccco3)o2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][P] | Clc1ccc5cc1.c14nnc6o1.c16ccco1.C45 |
26344 | CC(=O)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2c(C)cc(C)cc2[nH]c1=O.c16cccs1.CC3=O.N345.C46.C57 |
26345 | CC(=O)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c17cc2cccc(C)c2[nH]c1=O.c16cccs1.CC3=O.N345.C46.C57 |
26346 | CCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c17cc2ccc(C)cc2[nH]c1=O.c16cccs1.CCC3=O.N345.C46.C57 |
26347 | CC(=O)N(Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2c(C)ccc(C)c2[nH]c1=O.c16cccs1.CC3=O.N345.C46.C57 |
26348 | COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2cc(C#N)c7nc2c1.N14CCCC1.C6C4=O.CO5.S67 |
26349 | CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2cc(C)ccc2[nH]c1=O.C16CCCO1.CCC3=O.N345.C47.C56 |
26350 | CCC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)CC1CCCO1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2ccc(C)c(C)c2[nH]c1=O.C16CCCO1.CCC3=O.N345.C47.C56 |
26351 | CC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)CC1CCCO1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2ccc(C)c(C)c2[nH]c1=O.C16CCCO1.CC3=O.N345.C47.C56 |
26352 | CC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)CC1CCCO1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2cc(C)c(C)cc2[nH]c1=O.C16CCCO1.CC3=O.N345.C47.C56 |
26353 | Cn1c(SCc2ccccc2)nnc1-c1ccco1 | [C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14ccccc1.c16ccco1.S35.C34 |
26354 | CCC(=O)N(CCO)Cc1cc2cc(C)ccc2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c16cc2cc(C)ccc2[nH]c1=O.CCC3=O.N345.C4CO.C56 |
26355 | CCC(=O)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c16cc2cc(C)cc(C)c2[nH]c1=O.CCC3=O.N345.C4CO.C56 |
26356 | Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCC3)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2[nH]c(=O)c8cc2c1.C17CCC1.N456.C47=O.C16CC1.C58 |
26357 | CCc1nc(SCC(=O)NC)c2c(C)c(C)sc2n1 | [C][C][C][=N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][P] | c15nc6c2c(C)c(C)sc2n1.C4C3=O.CC5.S46.N3C |
26358 | COc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1OC | [C][O][C][=C][C][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc2cc(C)c3nnc7n3c2cc15.C6C(N)=O.CO4.S67.O5C |
26359 | Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2[nH]c(=O)c8cc2c1.c17ccco1.N456.C47=O.C16CC1.C58 |
26360 | Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(Cl)cc1 | [C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5sc17.c16ccc(Cl)cc1.C38=O.C18CC1.C47=O.N35.N46 |
26361 | Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1Cl | [C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nc5sc17.c16ccccc1Cl.C38=O.C18CC1.C47=O.N35.N46 |
26362 | Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(Cl)c1 | [C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc5sc17.c16cccc(Cl)c1.C38=O.C18CC1.C47=O.N35.N46 |
26363 | COc1ccc(NC(=O)c2sc(NC(=O)C3CC3)nc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19sc7nc1C.C49=O.C5%10=O.C1%10CC1.CO6.N48.N57 |
26364 | Cc1cc(C)c(NC(=O)CSc2nnc(C)c(C)n2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c5c(C)c1.c16nnc(C)c(C)n1.C3(=O)C4.N35.S46 |
26365 | CCC(=O)Nc1nc(C)c(C(=O)NCc2ccccc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c16nc(C)c7s1.c18ccccc1.CCC3=O.C47=O.N36.N45.C58 |
26366 | Cn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Cn1c5nc2ccccc2c1=O.c14ccccc1.C3C4=O.S35 |
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