ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14249 | CC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17cnc2n(c1=O)CCS2.c16ccc5cc1.CC6=O.C47=O.N45 |
14250 | CC(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c17cnc2n(c1=O)CCS2.c16cccc5c1.CC6=O.C47=O.N45 |
14251 | COC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18cnc2n(c1=O)CCS2.c17ccc6cc1.C47=O.C58=O.CO4.N56 |
14252 | CCOC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c19cnc2n(c1=O)CCS2.c18ccc7cc1.C48=O.C59=O.CC6.O46.N57 |
14253 | COC(=O)c1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c17cnc2n(c1=O)CCS2.c16ccccc15.C36=O.C47=O.CO3.N45 |
14254 | O=C(Nc1cccc2ccccc12)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c14cccc2ccccc12.c15cnc2n(c1=O)CCS2.O=C35.N34 |
14255 | Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C] | c16cnc2n(c1=O)CCS2.Cc1ccc5cc1C.C46=O.N45 |
14256 | O=C(Nc1cccc(Cl)c1Cl)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cccc(Cl)c1Cl.O=C35.N34 |
14257 | O=C(Nc1cc(Cl)ccc1Cl)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cc(Cl)ccc1Cl.O=C35.N34 |
14258 | O=C(Nc1ccc(F)cc1F)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccc(F)cc1F.O=C35.N34 |
14259 | O=C(Nc1c(F)cccc1F)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14c(F)cccc1F.O=C35.N34 |
14260 | O=C(Nc1ccc(F)cc1Cl)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccc(F)cc1Cl.O=C35.N34 |
14261 | Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | c16cnc2n(c1=O)CCS2.Cc1ccc5cc1Cl.C46=O.N45 |
14262 | Cc1ccc(F)cc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.Cc1ccc(F)cc14.C35=O.N34 |
14263 | CC1CC(C)CN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.CC1CC(C)CN3C1 |
14264 | COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | c17cnc2n(c1=O)CCS2.c15ccc6cc1Cl.C47=O.CO5.N46 |
14265 | O=C(Nc1ccc(F)c(F)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccc(F)c(F)c1.O=C35.N34 |
14266 | COc1ccc(C)cc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c16cnc2n(c1=O)CCS2.c14ccc(C)cc15.C36=O.CO4.N35 |
14267 | O=c1oc2ccccc2n1CCOc1ccccc1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1oc2ccccc2n15.c14ccccc1.C5C3.O34 |
14268 | Cc1cccc(C)c1NC(=O)c1cnc2n(c1=O)CCS2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.Cc1cccc(C)c14.C35=O.N34 |
14269 | COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c18cnc2n(c1=O)CCS2.c15ccc7cc16.C48=O.CO5.N47.O6C |
14270 | Cc1ccc(OCCn2c(=O)oc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | n16c(=O)oc2ccccc21.Cc1ccc5cc1.C4C6.O45 |
14271 | COc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c18cnc2n(c1=O)CCS2.c15ccc6c7c1.C48=O.CO5.O6C.N47 |
14272 | Cc1cc(C)c(NC(=O)c2cnc3n(c2=O)CCS3)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | c16cnc2n(c1=O)CCS2.Cc1cc(C)c5c(C)c1.C46=O.N45 |
14273 | CN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCC1 | [C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15cnc2n(c1=O)CCS2.C14CCCCC1.CN34.C35=O |
14274 | CCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc7cc1.c18ccccc1.N345.C36=O.C78=O.CC4.C5C |
14275 | CN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc1.CN34.C35=O.C46 |
14276 | CN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 | [C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnc2n(c1=O)CCS2.c14ccccc1.CN34.C35=O |
14277 | CC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c16cnc2n(c1=O)CCS2.c17ccccc1.CC4C.N345.C36=O.C57 |
14278 | CC1CCCCN1C(=O)c1cnc2n(c1=O)CCS2 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c14cnc2n(c1=O)CCS2.CC1CCCCN13.C34=O |
14279 | CCOC(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][C][Ring2][Ring1][C] | c18cnc2n(c1=O)CCS2.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
14280 | CC1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | CC1Cc2ccccc2N13.c14cnc2n(c1=O)CCS2.C34=O |
14281 | O=C(Nc1cccc(Cl)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cccc(Cl)c1.O=C35.N34 |
14283 | O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c14ccc2c(c1)OCCO2.O=C35.N34 |
14284 | COc1ccccc1CNC(=O)c1n[nH]c(=O)c2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c16n[nH]c(=O)c2ccccc12.c14ccccc17.C36=O.CO4.C57.N35 |
14285 | O=C(CSc1nc2ccccc2[nH]1)NC1CCCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][C][C][Ring1][Branch1] | c16nc2ccccc2[nH]1.C15CCCC1.O=C3C4.S46.N35 |
14286 | O=C(NCC1CCCO1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.C16CCCO1.O=C35.N34.C46 |
14287 | O=C(NCc1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c16ccc(F)cc1.O=C35.N34.C46 |
14288 | O=C(NC1CCCCCC1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.C14CCCCCC1.O=C35.N34 |
14289 | COC(=O)CNC(=O)c1n[nH]c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c16n[nH]c(=O)c2ccccc12.C3(=O)C5.C46=O.CO3.N45 |
14290 | O=C(NCCC1=CCCCC1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.C4CC1=CCCCC1.O=C35.N34 |
14291 | O=C(NCc1cccnc1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c16cccnc1.O=C35.N34.C46 |
14292 | O=C(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.c15cccnc1.O=C35 |
14293 | O=C(NCC1COc2ccccc2O1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.C16COc2ccccc2O1.O=C35.N34.C46 |
14294 | O=C(Nc1nc2ccccc2s1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c14nc2ccccc2s1.O=C35.N34 |
14295 | COc1cccc(OC)c1C(=O)NC1CCCCC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c13cccc4c16.C15CCCCC1.C26=O.CO3.O4C.N25 |
14296 | O=C(Cn1ccc2ccccc2c1=O)N1CCCCCC1 | [O][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | n14ccc2ccccc2c1=O.N13CCCCCC1.O=C3C4 |
14297 | O=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F | [O][=C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N15CC7CC1=O.c16ccccc1F.c17ccccc1.O=C3C5.O34.C46 |
14304 | CC1CC(C)CN(C(=O)Cn2ccc3ccccc3c2=O)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][Branch1] | n15ccc2ccccc2c1=O.CC1CC(C)CN4C1.C4(=O)C5 |
14305 | COC(=O)CNC(=O)Cn1ccc2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n16ccc2ccccc2c1=O.C3(=O)C5.C4(=O)C6.CO3.N45 |
14309 | CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][C] | n17c(C)nc2ccccc2c1=O.c16cccc7c1.C46=O.CC5.O45 |
14310 | Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][=C][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring2][Ring1][Branch2] | Cc1cc3nc5n1.c14ccc(=O)n(C)n1.c16ccc(=O)n(C)n1.O34.O56 |
14311 | O=C(Cn1ccc2ccccc2c1=O)N1CCCCC1 | [O][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14ccc2ccccc2c1=O.N13CCCCC1.O=C3C4 |
14312 | CCN(Cc1ccccc1)C(=O)c1ccccc1Br | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.c16ccccc1.N234.C25=O.CC3.C46 |
14313 | COc1ccc(CNC(=O)Cn2ccc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | n17ccc2ccccc2c1=O.c15ccc8cc1.C4(=O)C7.CO5.C68.N46 |
14315 | O=C(Cn1ccc2ccccc2c1=O)NCCc1ccc(Cl)cc1 | [O][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n15ccc2ccccc2c1=O.c16ccc(Cl)cc1.O=C3C5.C4C6.N34 |
14316 | O=C(CSc1nc2ccccc2o1)NC1CCCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][C][C][Ring1][Branch1] | c16nc2ccccc2o1.C15CCCC1.O=C3C4.S46.N35 |
14317 | COC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C13CCC(=O)N1S(=O)(=O)c1ccc(C)cc1.C23=O.CO2 |
14318 | Nc1nc(OCC(F)(F)C(F)F)cc(-c2ccccc2)n1 | [N][C][=N][C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Nc1nc4cc5n1.C3C(F)(F)C(F)F.c15ccccc1.O34 |
14319 | O=C(CCSc1ccccc1)NCc1cccnc1 | [O][=C][Branch1][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccccc1.c15cccnc1.O=C2CC4.S46.N23.C35 |
14320 | COc1ccc(N(C)C(=O)c2coc(=O)c3ccccc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c18coc(=O)c2ccccc12.c15ccc7c6c1.N47C.C48=O.CO5.O6C |
14321 | CN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15coc(=O)c2ccccc12.c14ccc(F)cc1.CN34.C35=O |
14322 | Cc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15coc(=O)c2ccccc12.Cc1ccccc14.N34C.C35=O |
14323 | Cc1cccc(N(C)C(=O)c2coc(=O)c3ccccc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c16coc(=O)c2ccccc12.Cc1cccc5c1.N45C.C46=O |
14324 | COc1ccc(C)cc1N(C)C(=O)c1coc(=O)c2ccccc12 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c16coc(=O)c2ccccc12.c14ccc(C)cc15.N35C.C36=O.CO4 |
14325 | CN(C(=O)c1coc(=O)c2ccccc12)c1ccccc1F | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15coc(=O)c2ccccc12.c14ccccc1F.CN34.C35=O |
14326 | COc1ccc(N(C)C(=O)c2coc(=O)c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17coc(=O)c2ccccc12.c15ccc6cc1.N46C.C47=O.CO5 |
14327 | OC(C#CCC(O)c1ccccc1)c1ccccc1 | [O][C][Branch1][S][C][#C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | OC2C#CCC3O.c13ccccc1.c12ccccc1 |
14328 | COc1cccc(OC)c1C(=O)N(C)c1ccccc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccc4c16.c15ccccc1.C26=O.N25C.CO3.O4C |
14329 | O=C(NCCc1ccc(Cl)cc1)c1coc(=O)c2ccccc12 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15coc(=O)c2ccccc12.c16ccc(Cl)cc1.O=C35.C4C6.N34 |
14330 | COc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17coc(=O)c2ccccc12.c15ccc8cc1.C47=O.CO5.C68.N46 |
14331 | Cn1c(C(F)(F)F)nc2c(=O)oc3ccccc3c21 | [C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][C] | Cn1c4nc2c(=O)oc3ccccc3c21.C4(F)(F)F |
14332 | CCOC(=O)c1sc2nc(C)n(CC(N)=O)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][#C][C] | c15sc2nc(C)n6c(=O)c2c1C.C6C(N)=O.C35=O.CC4.O34 |
14333 | O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)NC1CC1 | [O][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | n17ccc2ccccc2c1=O.C5CC4=O.O=C3C7.C16CC1.N35.N46 |
14335 | CCc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16coc(=O)c2ccccc12.c17ccc8cc1.C46=O.CC7.C58.N45 |
14336 | Cc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16coc(=O)c2ccccc12.Cc1ccc7cc1.C46=O.C57.N45 |
14337 | O=C(NCc1ccc(F)cc1Cl)c1coc(=O)c2ccccc12 | [O][=C][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15coc(=O)c2ccccc12.c16ccc(F)cc1Cl.O=C35.N34.C46 |
14338 | O=C(Cc1ccc(F)cc1F)Nc1ccc(F)cc1F | [O][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c13ccc(F)cc1F.O=C2C4.N23 |
14339 | COc1ccc(CNC(=O)c2coc(=O)c3ccccc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c18coc(=O)c2ccccc12.c15ccc9c6c1.C48=O.CO5.C79.N47.O6C |
14340 | CC(=O)Nc1ccc(-c2cc3ccccn3c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Ring1][#C] | c16cc2ccccn2c1.c15ccc6cc1.CC4=O.N45 |
14341 | O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring1][=C][N][C][C][=C][C][=C][O][Ring1][Branch1] | n16ncc2c(=O)oc3ccccc3c21.c17ccco1.O=C4C6.N45.C57 |
14342 | COc1ccc(NC(=O)C2(C)CC3C=CC2C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][Ring1][#Branch1][C][Ring1][Branch1][C][=C][Ring1][P] | C17(C)CC2C=CC1C2.c15ccc6cc1.C47=O.CO5.N46 |
14343 | Cc1cc2ccccc2c(=O)n1CC(=O)NCc1ccccn1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc2ccccc2c(=O)n15.c16ccccn1.C5C3=O.N34.C46 |
14344 | COC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cccc2ccccc12.C3(=O)C4.S5(C)(=O)=O.N456.CO3 |
14345 | Cc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16c(C)nc2ccccn12.Cc1ccc5cc1.C46=O.N45 |
14346 | CC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccc(F)cc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(=O)Nc2ccc(C)cc2C1c1ccc(F)cc1.CC3=O |
14347 | CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1.CC3=O |
14348 | CC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1.CC3=O |
14349 | CCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1 | [C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1.CCC3=O |
14350 | Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)C1CC1)CC(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)C(c1ccccc1)N3CC(=O)N2.C34=O.C14CC1 |
14351 | CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1.CC3=O |
14352 | CC(C)C(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)Nc2ccc(F)cc2C1c1ccccc1.CC(C)C3=O |
14353 | O=C1CN(C(=O)C2CC2)C(c2ccccc2)c2cc(F)ccc2N1 | [O][=C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch1] | O=C1CN3C(c2ccccc2)c2cc(F)ccc2N1.C34=O.C14CC1 |
14354 | CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][O][Ring2][Ring1][Ring2] | c16ccc(S4(=O)=O)cc1.c17nnc5o1.C36=O.N4(C)C.CC7.N35 |
14355 | CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][#C] | S6(=O)(=O)c1ccc8cc1.c17nnc(C)o1.N456.C38=O.CC4.C5C.N37 |
14356 | Cc1c(Cl)cccc1NC(=O)Cn1c(=O)oc2ccccc21 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)oc2ccccc21.Cc1c4cccc1Cl.C3(=O)C5.N34 |
14357 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | n15c(=O)oc2ccccc21.c14ccc2c(c1)OCCO2.O=C3C5.N34 |
14358 | COc1ccc(C)cc1NC(=O)Cn1c(=O)oc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)oc2ccccc21.c14ccc(C)cc15.C3(=O)C6.CO4.N35 |
14359 | COc1cccc(CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][=Branch1] | n17c(=O)oc2cc(Cl)ccc21.c15cccc8c1.C4(=O)C7.CO5.C68.N46 |
14360 | O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)c(F)c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | n15c(=O)oc2cc(Cl)ccc21.c14ccc(F)c(F)c1.O=C3C5.N34 |
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