ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23369 | Cc1cc(Cl)ccc1N(CC(=O)N(C)C)S(C)(=O)=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Cl)ccc15.C3C2=O.S4(C)(=O)=O.N345.N2(C)C |
23370 | CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Br)c1.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
23371 | CC(C)c1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C] | c15ccc4cc1.C2C(N)=O.S3(C)(=O)=O.CC5C.N234 |
23372 | Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.C3C2=O.S4(C)(=O)=O.N345.N2(C)C |
23373 | COc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.C18CCCC1.C5C3=O.S6(C)(=O)=O.N567.CO4.N38 |
23374 | CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1Cl.C2(=O)C3.N345.CN2 |
23375 | CC(C)c1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.N13CCOCC1.C4C3=O.S5(C)(=O)=O.CC7C.N456 |
23376 | Cc1cc(C)nc(SCC(=O)NCCc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc7n1.c16ccccc1.C5C3=O.C4C6.S57.N34 |
23377 | COc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(N(C)C)n1 | [C][O][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc(N)cc1.c13nc5nc6n1.N6(C)C.CO3.N45 |
23378 | COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c14ccc5c8c1.N13CCCC1.C6C3=O.S7(C)(=O)=O.N678.CO4.O5C |
23379 | Cc1ccc(SCC(=O)NCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.c16ccccc1.C5C3=O.S57.N34.C46 |
23381 | COc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.N13CCCCC1.C5(C)C3=O.S6(C)(=O)=O.N567.CO4 |
23382 | COC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(Cl)ccc1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23383 | CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.C16CCCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
23384 | CCc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(C)cc1.c15ccccc14.C2C(N)=O.N234.CC5 |
23385 | CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1F.C2(=O)C3.N345.CN2 |
23386 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
23387 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.N12CCOCC1.CS4(=O)=O.C3C2=O.N345 |
23388 | Cc1c(Cl)cccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1c5cccc1Cl.N12CCOCC1.C3C2=O.S4(C)(=O)=O.N345 |
23389 | COc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c16nc(N)cc(N)n1.c13ccccc15.C2(=O)C4.CO3.N25.S46 |
23390 | Nc1cc(N)nc(SCC(=O)Nc2cccc3ccccc23)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | c16cccc2ccccc12.Nc1cc(N)nc7n1.C5C4=O.S57.N46 |
23391 | Nc1cc(N)nc(SCC(=O)NCc2ccccc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc7n1.c16ccccc1.C5C3=O.S57.N34.C46 |
23392 | COc1ccccc1-n1c(SC)nc2ccccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | n14c5nc2ccccc2c1=O.c13ccccc14.CO3.S5C |
23394 | COC(=O)CN(c1ccccc1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23395 | COC(=O)CN(c1ccccc1F)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1F.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23396 | COc1ccc(OC)c(N(CC(N)=O)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][P] | c12ccc3c6c1.C4C(N)=O.S5(C)(=O)=O.N456.CO2.O3C |
23397 | CCOc1ccccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.N12CCCCC1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34 |
23398 | COC(=O)CN(c1ccccc1Cl)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1Cl.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23400 | COC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc3cc14.C2(=O)C5.S6(C)(=O)=O.N567.CO2.O3C.O4C |
23401 | COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccccc1.c13ccc6cc1.C4C(N)=O.N456.CO3 |
23402 | CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c16cccc3c1.C2(=O)C4.N456.CN2.O3C |
23403 | COc1cccc(N(CC(N)=O)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#C] | c12cccc5c1.C3C(N)=O.S4(C)(=O)=O.N345.CO2 |
23405 | Cc1cc(Cl)ccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Cl)ccc15.N12CCOCC1.C3C2=O.S4(C)(=O)=O.N345 |
23406 | COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16c(C)cccc1C.CO3.N56.O4C |
23407 | Cc1ccc(C)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.c17ccccc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
23408 | CS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.CS3(=O)=O.C2C(N)=O.N234 |
23409 | NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c14ccc(Cl)cc1.NC(=O)C2.N234 |
23410 | COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S5(=O)(=O)c1ccc3cc1.c16ccccc1.C2(=O)C4.N456.CO2.O3C |
23411 | O=S(=O)(NC1CCCC1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.C14CCCC1.N34 |
23412 | COc1cccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c14cccc7c1.c18ccccc1.C5C3=O.S6(C)(=O)=O.N567.CO4.N38 |
23413 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
23414 | CC(C)NC(=O)CCSc1ccc(Cl)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.C2(=O)CC4.CC3C.N23.S45 |
23415 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
23416 | CNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)cc1.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
23417 | Cc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6c(C)c1.C17CCCC1.C4C3=O.S5(C)(=O)=O.N456.N37 |
23418 | COc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1] | c14cccc7c1.N13CCCC1.C5C3=O.S6(C)(=O)=O.N567.CO4 |
23419 | CS(=O)(=O)N(CC(N)=O)c1cccc(C(F)(F)F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc5c1.CS3(=O)=O.C2C(N)=O.C5(F)(F)F.N234 |
23420 | COc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.c18ccccc1.C5C3=O.S6(C)(=O)=O.N567.CO4.N38 |
23421 | Cc1ccccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.N12CCCCC1.C3C2=O.S4(C)(=O)=O.N345 |
23422 | CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.C16CCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
23423 | Cc1ccc(N(CC(N)=O)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][S] | Cc1ccc4c(C)c1.C2C(N)=O.S3(C)(=O)=O.N234 |
23424 | COc1ccc(C)cc1N(CC(N)=O)S(C)(=O)=O | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | c12ccc(C)cc15.C3C(N)=O.S4(C)(=O)=O.N345.CO2 |
23425 | Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1ccc(C)c5c1.N45 |
23426 | O=C(CSc1ccccc1)NCCc1ccccc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.O=C2C4.C3C5.S46.N23 |
23427 | COc1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | c14cccc7c1.N13CCOCC1.C5C3=O.S6(C)(=O)=O.N567.CO4 |
23428 | CS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.CS3(=O)=O.C2C(N)=O.N234 |
23429 | COc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(C)cc1.c13cccc6c1.C4C(N)=O.N456.CO3 |
23430 | COC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)cc1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23431 | CNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc3c4c1.C2(=O)C5.S6(C)(=O)=O.N567.CN2.O3C.O4C |
23432 | COc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S] | c12ccc5cc1.C3(C)C(N)=O.S4(C)(=O)=O.N345.CO2 |
23433 | Cc1cccc(C)c1N(CC(=O)N1CCCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.N12CCCC1.C3C2=O.S4(C)(=O)=O.N345 |
23434 | COC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23436 | CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c16ccc(C)c(C)c1.c17ccc8cc1.S5(C)(=O)=O.C37=O.N456.CN3.C48 |
23437 | Cc1ccc(C)c(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c6c1.N13CCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
23438 | CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1C.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
23439 | CCc1ccccc1N(CC(=O)NC)S(=O)(=O)c1ccccc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc15.C3C2=O.N345.CC6.N2C |
23440 | COc1ccc(N(C(C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.C5(C)C3=O.C18CCCC1.S6(C)(=O)=O.N567.CO4.N38 |
23441 | O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14cccc(Cl)c1.N34 |
23442 | COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c15ccc(F)cc1.C2(=O)C3.N345.CO2 |
23443 | COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(Cl)cc(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23444 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
23445 | Cc1ccc(C)c(N(CC(=O)N(C)C)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.C3C2=O.S4(C)(=O)=O.N345.N2(C)C |
23446 | COC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc3c(Cl)c1.C2(=O)C4.S5(C)(=O)=O.N456.CO2.O3C |
23447 | COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c13ccc(S5(=O)=O)cc1.c16ccccc1.C4C(N)=O.N456.CO3 |
23448 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.N12CCOCC1.CS4(=O)=O.C3C2=O.N345 |
23449 | Cc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.N12CCCC1.C3C2=O.S4(C)(=O)=O.N345 |
23451 | COc1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.C18CCCCC1.C5C3=O.S6(C)(=O)=O.N567.CO4.N38 |
23452 | Cc1ccc(N(Cc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc5cc1C.c17ccc6cc1.S4(C)(=O)=O.N345.C6(N)=O.C37 |
23453 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(F)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
23454 | CCOc1ccccc1N(CC(=O)N1CCOCC1)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.N12CCOCC1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34 |
23455 | Cc1cc(Cl)ccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Cl)ccc15.C16CCCC1.C3C2=O.S4(C)(=O)=O.N345.N26 |
23456 | CC(C)c1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.N13CCCC1.C4C3=O.S5(C)(=O)=O.CC7C.N456 |
23459 | CN(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
23460 | CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(N)=O)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c16ccc(Cl)cc1.c14ccc5cc1.CS3(=O)=O.N234.C5(N)=O.C26 |
23461 | COC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)c(C)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23463 | COC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(C)ccc1C.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23464 | COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(C)cc1.c13ccc6cc1.C4C(N)=O.N456.CO3 |
23465 | Cc1c(Cl)cccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1c5cccc1Cl.N12CCCCC1.C3C2=O.S4(C)(=O)=O.N345 |
23466 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.N12CCOCC1.CS4(=O)=O.C3C2=O.N345 |
23467 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1ccc5cc1C.N45 |
23469 | COc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.N13CCCC1.C6C3=O.S7(C)(=O)=O.N678.CO4.O5C |
23470 | Cc1ccc(C)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c6c1.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456 |
23471 | Cc1cc(Cl)ccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Cl)ccc15.N12CCCCC1.C3C2=O.S4(C)(=O)=O.N345 |
23472 | Cc1cc(Cl)ccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cc1cc(Cl)ccc14.C2C(N)=O.N234 |
23473 | COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c13ccc(S6(=O)=O)cc1.c17ccc4c5c1.CO3.N67.O4C.O5C |
23474 | CCc1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc15.c16ccccc1.C3C2=O.S4(C)(=O)=O.N345.CC7.N26 |
23475 | COc1ccc(N(C(C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.N13CCOCC1.C5(C)C3=O.S6(C)(=O)=O.N567.CO4 |
23476 | Cc1ccc(Cl)cc1N(CC(N)=O)S(C)(=O)=O | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccc(Cl)cc14.C2C(N)=O.S3(C)(=O)=O.N234 |
23477 | Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccc(Cl)cc1.C3C(N)=O.N345 |
23478 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.N12CCOCC1.CS4(=O)=O.C3C2=O.N345 |
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