ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1929271 | CN(C)S(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O] | CN(C)S(=O)(=O)N1CCC2(CC1)CN3C2=O.c13cccc(F)c1 |
1929272 | CC(C)(C)C(=O)N1CCC2(CC1)CN(c1cccnc1)C2=O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O] | N13CCC2(CC1)CN4C2=O.CC(C)(C)C3=O.c14cccnc1 |
1929273 | O=C(CC(F)(F)F)N1CCC2(CC1)CN(c1cccnc1)C2=O | [O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O] | N13CCC2(CC1)CN4C2=O.O=C3CC(F)(F)F.c14cccnc1 |
1929274 | O=C1N(c2cccnc2)CC12CCN(Cc1nccs1)CC2 | [O][=C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | O=C1N5CC12CCN3CC2.c15cccnc1.c14nccs1.C34 |
1929275 | CS(=O)(=O)N1CCCCC12CCN(C(=O)c1ccccc1)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | N14CCCCC12CCN3C2.c15ccccc1.CS4(=O)=O.C35=O |
1929276 | CC(=O)N1CCCCC12CCN(C(=O)c1ccccc1)C2 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | N13CCCCC12CCN4C2.c15ccccc1.CC3=O.C45=O |
1929278 | Cc1cc2c(NCCO)nc(-c3ccccc3)nc2s1 | [C][C][=C][C][=C][Branch1][Branch1][N][C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][S][Ring2][Ring1][Ring1] | Cc1cc2c5nc6nc2s1.c16ccccc1.C4CO.N45 |
1929279 | Cc1cc2c(NCCCO)nc(-c3ccccc3)nc2s1 | [C][C][=C][C][=C][Branch1][=Branch1][N][C][C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1cc2c5nc6nc2s1.c16ccccc1.C4CCO.N45 |
1929280 | COc1ncccc1CN1CCC2C(=O)NCCOC2C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch2][C][Ring1][N] | N14CCC2C(=O)NCCOC2C1.c13ncccc15.CO3.C45 |
1929281 | CCS(=O)(=O)N1CCC2(CC1)CC(OCc1ccncc1)CO2 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][Ring1][#C] | N15CCC2(CC1)CC4CO2.c16ccncc1.CCS5(=O)=O.O34.C36 |
1929282 | CCC1OCC2CN(S(=O)(=O)c3cccc(OC)c3)CCC21 | [C][C][C][O][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][C][Ring1][P][Ring2][Ring1][Ring2] | C16OCC2CN5CCC21.S5(=O)(=O)c1cccc4c1.CC6.O4C |
1929283 | CS(=O)(=O)N1CCC2C(COC2CC(=O)N2CCOCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C] | N14CCC2C(COC25)C1.N13CCOCC1.CS4(=O)=O.C5C3=O |
1929284 | CCC1OCC2CN(S(=O)(=O)c3ccc(OC)c(F)c3)CCC21 | [C][C][C][O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc4c(F)c1.C16OCC2CN5CCC21.CC6.O4C |
1929286 | O=C(NCC12COCC1CN(c1ncccn1)C2)c1ccsc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][O][C][C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][C][=C][S][C][=Ring1][Branch1] | C127COCC1CN5C2.c15ncccn1.c16ccsc1.O=C36.N34.C47 |
1929288 | Cc1ccsc1C(=O)N1CC2CN(S(C)(=O)=O)CCOC2C1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][O][C][Ring1][O][C][Ring1][=C] | N13CC2CN4CCOC2C1.Cc1ccsc15.S4(C)(=O)=O.C35=O |
1929289 | COCC1CC2(CCN(C(=O)c3csc4ccccc34)CC2)CO1 | [C][O][C][C][C][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][P][C][O][Ring2][Ring1][Branch1] | C18CC2(CCN5CC2)CO1.c17csc2ccccc12.C57=O.CO6.C68 |
1929290 | c1ccc(COC2COC3(CCN(c4ncccn4)C3)C2)nc1 | [C][=C][C][=C][Branch2][Ring1][N][C][O][C][C][O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | C16COC2(CCN7C2)C1.c1ccc8nc1.c17ncccn1.C58.O56 |
1929293 | O=C(N1CCCC1)N1CCC2OCCC2(CCNc2ncccn2)C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][N][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C] | N14CCC2OCCC27C1.c16ncccn1.N13CCCC1.O=C34.C7C5.N56 |
1929294 | CN(C)S(=O)(=O)N1Cc2cncn2CC(COCC2CCC2)C1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][P] | CN(C)S(=O)(=O)N1Cc2cncn2CC5C1.C16CCC1.C35.O34.C46 |
1929295 | c1cncc(OCC2CN(C3CCC3)Cc3cncn3C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][=C][N][=C][N][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][=Branch1] | C17CN6Cc2cncn2C1.c1cncc5c1.C16CCC1.O45.C47 |
1929296 | CS(=O)(=O)N1CCC2(CC1)CC(OCc1ccncc1)CO2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][Ring1][#C] | N15CCC2(CC1)CC4CO2.c16ccncc1.CS5(=O)=O.O34.C36 |
1929297 | O=C(Cc1ccco1)N1CC2COCC2(COCc2cccnc2)C1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][P] | N13CC2COCC27C1.c18cccnc1.c16ccco1.O=C3C6.C47.O45.C58 |
1929298 | O=C(c1cocn1)N1CCC2OCCC2(COc2ccccn2)C1 | [O][=C][Branch1][Branch2][C][=C][O][C][=N][Ring1][Branch1][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P] | N13CCC2OCCC27C1.c15ccccn1.c16cocn1.O=C36.C47.O45 |
1929300 | Cc1nc(CN2CCC3(CC(N4CCCC4=O)CCO3)C2)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][N][C][C][C][Branch2][Ring1][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][O][Ring1][N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N15CCC2(CC7CCO2)C1.Cc1nc6cs1.N17CCCC1=O.C56 |
1929301 | COC1CCN(C(=O)c2cnccn2)CC1Cc1cccc(C)c1 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | C14CCN3CC16.c17cccc(C)c1.c15cnccn1.C35=O.CO4.C67 |
1929302 | Cc1cccc(CN2CCOC3CN(C(=O)N(C)C)CCC3C2=O)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][C][O][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][O][C][Ring1][S][=O][=N][Ring2][Ring1][Branch2] | N16CCOC2CN4CCC2C1=O.Cc1cccc7n1.C45=O.N5(C)C.C67 |
1929303 | CC(=O)N1CCC2OCCC2(CCNS(C)(=O)=O)C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][N][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][S] | N13CCC2OCCC26C1.S5(C)(=O)=O.CC3=O.C6C4.N45 |
1929304 | c1cnc(N2CC3COCC3(COc3cccnc3)C2)nc1 | [C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | N16CC2COCC27C1.c1cnc6nc1.c15cccnc1.C47.O45 |
1929305 | CS(=O)(=O)N1CC2COCC2(C(=O)NCc2cccs2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][P] | N15CC2COCC26C1.c17cccs1.CS5(=O)=O.C36=O.N34.C47 |
1929306 | c1cnc(N2CCC3(CCOCC3COc3cnccn3)CC2)nc1 | [C][=C][N][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][C][C][C][O][C][C][Ring1][=Branch1][C][O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] | N16CCC2(CCOCC27)CC1.c1cnc6nc1.c15cnccn1.C47.O45 |
1929307 | Cc1nnc(CC2OCC3CN(Cc4scnc4C)CCC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][C][O][C][C][C][N][Branch1][#Branch2][C][C][S][C][=N][C][=Ring1][Branch1][C][C][C][C][Ring1][=N][Ring1][S][O][Ring2][Ring1][=Branch1] | C16OCC2CN5CCC21.Cc1nnc7o1.c18scnc1C.C67.C58 |
1929308 | CC(=O)N1CCC2OCCC2(CCNC(=O)N(C)C)C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][Ring1][Branch1][Branch1][=N][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][P] | N13CCC2OCCC27C1.CC3=O.C7C6.C45=O.N5(C)C.N46 |
1929310 | CCC1OCC2CN(S(=O)(=O)c3ccc(C)cc3OC)CCC21 | [C][C][C][O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(C)cc14.C16OCC2CN5CCC21.CC6.O4C |
1929311 | O=C(c1ccncn1)N1Cc2cncn2CC(COCC2CC2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][Ring1][S] | N13Cc2cncn2CC7C1.c16ccncn1.O=C36.C18CC1.C47.O45.C58 |
1929313 | Cc1cc(C(=O)N2Cc3cncn3CC(COCC3CCC3)C2)on1 | [C][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][P][O][N][=Ring2][Ring1][Branch2] | N14Cc2cncn2CC8C1.Cc1cc7on1.C19CCC1.C47=O.C58.O56.C69 |
1929314 | Cc1nc(C(=O)N2CC3COCC3(COCC3CCC3)C2)cs1 | [C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][#C][=C][S][Ring2][Ring1][=Branch1] | N14CC2COCC28C1.Cc1nc7cs1.C19CCC1.C47=O.C58.O56.C69 |
1929315 | O=C(c1ccnnc1)N1CC2COCC2(COCC2CCC2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][#C] | N13CC2COCC27C1.c16ccnnc1.C18CCC1.O=C36.C47.O45.C58 |
1929316 | O=C(c1cscn1)N1CC2COCC2(COCC2CCC2)C1 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][#Branch2][C][O][C][C][C][C][C][Ring1][Ring2][C][Ring1][#C] | N13CC2COCC27C1.c16cscn1.C18CCC1.O=C36.C47.O45.C58 |
1929317 | CCOCC1CC2(CCN(Cc3nccs3)CC2)CO1 | [C][C][O][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][O][Ring1][S] | C17CC2(CCN6CC2)CO1.c18nccs1.CC4.O45.C57.C68 |
1929318 | CS(=O)(=O)NCC12COCC1CN(C(=O)c1ccsc1)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#C] | C127COCC1CN3C2.c16ccsc1.CS5(=O)=O.C36=O.N45.C47 |
1929319 | Cc1nnc(CC2OCC3CN(C(=O)Cc4ccccn4)CCC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][#C][C][C][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C][O][Ring2][Ring1][Branch2] | C16OCC2CN5CCC21.Cc1nnc7o1.c18ccccn1.C5(=O)C8.C67 |
1929320 | CS(=O)(=O)N1CC2COCC2(CNC(=O)CC2CC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][Ring1][S] | N15CC2COCC26C1.CS5(=O)=O.C3(=O)C7.C17CC1.C46.N34 |
1929321 | Cc1nnc(C23COCC2CN(Cc2ccc4ccccc4n2)C3)o1 | [C][C][=N][N][=C][Branch2][Ring1][#C][C][C][O][C][C][Ring1][Branch1][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2] | c16ccc2ccccc2n1.C127COCC1CN5C2.Cc1nnc7o1.C56 |
1929322 | COC1COC2(CCN(C(=O)Cc3ccc(F)cc3C)CC2)C1 | [C][O][C][C][O][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][C][Ring2][Ring1][Branch1] | C15COC2(CCN4CC2)C1.c16ccc(F)cc1C.C4(=O)C6.CO5 |
1929324 | c1ccc(CN2Cc3cncn3CC(COc3cccnc3)C2)nc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch2] | N16Cc2cncn2CC8C1.c1ccc7nc1.c15cccnc1.C67.C48.O45 |
1929325 | COCCN1CC2C(OC)CCN(c3ncccn3)C2C1 | [C][O][C][C][N][C][C][C][Branch1][Ring1][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N16CC2C5CCN7C2C1.c17ncccn1.C4C6.CO4.O5C |
1929327 | Cc1ccc(N2CC3COCC3(CNC(=O)C3CC3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | N16CC2COCC28C1.Cc1ccc6nn1.C47=O.C17CC1.C58.N45 |
1929328 | Cc1nnc(CC2CC3CN(Cc4sccc4C)CC3O2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][C][C][C][C][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][N][O][Ring1][#C][O][Ring2][Ring1][Branch1] | C16CC2CN5CC2O1.Cc1nnc7o1.c18sccc1C.C67.C58 |
1929329 | Cc1nnc(CC2CC3CN(Cc4cccs4)CC3O2)o1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][C][C][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][O][Ring1][=C][O][Ring2][Ring1][Ring2] | C16CC2CN5CC2O1.Cc1nnc7o1.c18cccs1.C67.C58 |
1929330 | Cc1nnc(CC23COCC2CN(C(=O)c2ccoc2C)C3)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][O][C][C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][S][O][Ring2][Ring1][=Branch1] | C127COCC1CN4C2.Cc1nnc6o1.c15ccoc1C.C45=O.C67 |
1929333 | Cc1cc(C(=O)NC(C)C(=O)NC(C)c2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch1] | Cc1cc7no1.c18ccccc1.C5(C)C4=O.C37=O.C68C.N35.N46 |
1929334 | Cc1cc(C(=O)NC(C)C(=O)NCC2CCCO2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][O][Ring2][Ring1][Ring1] | Cc1cc7no1.C5(C)C4=O.C18CCCO1.C37=O.N35.N46.C68 |
1929335 | CN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCC1CCCO1 | [C][N][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c15nc8ncc16.c18ccc(F)cc1.C17CCCO1.CN5C.C36=O.N34.C47 |
1929336 | Cc1ccc(N2CC3COCC3(CC(=O)N3CCOCC3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N15CC2COCC26C1.Cc1ccc5nn1.N14CCOCC1.C6C4=O |
1929337 | CS(=O)(=O)N1CC2CC(CC(=O)NCc3cccnc3)OC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][S][C][Ring2][Ring1][Ring1] | N16CC2CC7OC2C1.c18cccnc1.CS6(=O)=O.C7C4=O.N45.C58 |
1929338 | Cc1ccc(CN2CC3CC(CC(=O)NC4CC4)OC3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][C][C][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][O][C][Ring1][N][C][Ring1][#C][S][Ring2][Ring1][Branch1] | N16CC2CC8OC2C1.Cc1ccc9s1.C8C5=O.C17CC1.C69.N57 |
1929339 | Cc1n[nH]c(CC2OCC3CN(C(=O)c4ccncc4)CCC32)n1 | [C][C][=N][NH1][C][Branch2][Ring1][=N][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Ring1][P][=N][Ring2][Ring1][#Branch1] | C17OCC2CN5CCC21.Cc1n[nH]c8n1.c16ccncc1.C56=O.C78 |
1929340 | CC(=O)N1CCCC2(CCN(S(=O)(=O)c3cn(C)cn3)C2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1] | N14CCCC2(CCN5C2)C1.S5(=O)(=O)c1cn(C)cn1.CC4=O |
1929341 | Cn1cccc1C(=O)N1CC2COCC2(Cc2nnc(C3CC3)o2)C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][S][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][Ring1][P] | N14CC2COCC27C1.Cn1cccc15.c16nnc8o1.C45=O.C18CC1.C67 |
1929342 | O=C(CC1COC2CN(c3ncccn3)CC12)Nc1cccnc1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][Ring1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C17COC2CN5CC12.c15ncccn1.c16cccnc1.O=C4C7.N46 |
1929344 | c1csc(CN2CCCC3(CCN(Cc4nccs4)C3)C2)n1 | [C][=C][S][C][Branch2][Ring1][N][C][N][C][C][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | N15CCCC2(CCN6C2)C1.c1csc7n1.c18nccs1.C57.C68 |
1929346 | CS(=O)(=O)N1CC2OCC(C(=O)NCc3ccccn3)C2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N16CC2OCC7C2C1.c18ccccn1.CS6(=O)=O.C47=O.N45.C58 |
1929347 | Cc1ncsc1CN1CC2OCC(C(=O)Nc3cnccn3)C2C1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][O][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N15CC2OCC7C2C1.Cc1ncsc18.c16cnccn1.C47=O.C58.N46 |
1929348 | CCn1nc(C)cc1C(=O)N1CC2CC(Cc3nnc(C)o3)OC2C1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][O][C][Ring1][N][C][Ring1][#C] | N14CC2CC7OC2C1.n16nc(C)cc15.c18nnc(C)o1.C45=O.CC6.C78 |
1929349 | Cc1noc(CC2COC3CN(C(=O)c4ccnnc4)CC23)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][S][Ring1][=N][=N][Ring2][Ring1][=Branch1] | C18COC2CN5CC12.Cc1noc7n1.c16ccnnc1.C56=O.C78 |
1929350 | O=C(c1cscn1)N1CCCC2(CC(Oc3cccnc3)CO2)C1 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC5CO2)C1.c16cccnc1.c17cscn1.O=C47.O56 |
1929351 | c1cnc(NCC2CCCC3(CCN(Cc4nccs4)C3)O2)nc1 | [C][=C][N][=C][Branch2][Ring1][=N][N][C][C][C][C][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][S][N][=C][Ring2][Ring1][Branch2] | C18CCCC2(CCN6C2)O1.c1cnc7nc1.c19nccs1.N57.C58.C69 |
1929352 | CS(=O)(=O)N1CC2OCC(C(=O)Nc3cccnc3)C2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N15CC2OCC7C2C1.c16cccnc1.CS5(=O)=O.C47=O.N46 |
1929353 | O=C(c1ccccc1)N1CCC2(CC(N3CCCC3=O)CCO2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][O][Ring1][N][C][Ring1][S] | N14CCC2(CC6CCO2)C1.c15ccccc1.N16CCCC1=O.O=C45 |
1929354 | Cc1ccsc1CN1CC2OCC(COc3ccncc3)C2C1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][C][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S] | N16CC2OCC8C2C1.Cc1ccsc17.c15ccncc1.C67.C48.O45 |
1929355 | COc1cc(N2CCCC3(CCN(C(=O)C4CCOC4)C3)C2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][#C][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][Ring1][N][C][Ring1][P][=N][C][=N][Ring2][Ring1][#Branch1] | N17CCCC2(CCN5C2)C1.c16cc7ncn1.C18CCOC1.C58=O.CO6 |
1929356 | O=C(c1cnccn1)N1CCC2(CCCN(C(=O)c3ccco3)C2)C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][C][Ring1][P] | N14CCC2(CCCN5C2)C1.c16cnccn1.c17ccco1.O=C46.C57=O |
1929357 | O=C(CC1CC2CN(c3ncccn3)CC2O1)N1CCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][O][Ring1][=C][N][C][C][C][Ring1][Ring2] | C16CC2CN5CC2O1.c15ncccn1.O=C4C6.N14CCC1 |
1929358 | CC(=O)N1CCC(OCC(=O)N2CCCC2)C(Cc2ccccc2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | N13CCC6C7C1.c18ccccc1.N14CCCC1.C5C4=O.CC3=O.O56.C78 |
1929359 | O=C(c1ccccn1)N1CCC2(CCCN(c3nncs3)C2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][P][C][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C] | N14CCC2(CCCN5C2)C1.c16ccccn1.c15nncs1.O=C46 |
1929360 | O=C(CC1CC1)N1CCC2(CCCN(c3nncs3)C2)C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][P][C][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C] | N14CCC2(CCCN5C2)C1.c15nncs1.O=C4C6.C16CC1 |
1929361 | CC(=O)N1CCC(OCc2cccnc2)C(Cc2cccc(C)c2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1] | N13CCC5C6C1.c18cccc(C)c1.c17cccnc1.CC3=O.O45.C47.C68 |
1929362 | CN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O | [C][N][C][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][P][=O] | CN1CC2(CCCCN23)CC1=O.c14ccsc1.C34=O |
1929363 | COC1CCN(C(=O)c2ccoc2C)C2CCOC12 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][C][O][C][Ring1][P][Ring1][Branch1] | C14CCN3C2CCOC12.c15ccoc1C.C35=O.CO4 |
1929364 | CCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O | [C][C][N][C][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][P][=O] | N15CC2(CCCCN23)CC1=O.c14ccsc1.C34=O.CC5 |
1929365 | O=C(CC1COC2CN(Cc3nccs3)CC12)NC1CC1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][O][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][Ring1][O][N][C][C][C][Ring1][Ring1] | C18COC2CN5CC12.c17nccs1.O=C4C8.C16CC1.C57.N46 |
1929366 | Cc1nc(C2COCCN2C(=O)c2sccc2C)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][=C][S][Ring2][Ring1][Ring1] | C15COCCN13.Cc1nc5cs1.c14sccc1C.C34=O |
1929367 | COCCCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O | [C][O][C][C][C][N][C][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][P][=O] | N16CC2(CCCCN23)CC1=O.c15ccsc1.C4CC6.C35=O.CO4 |
1929368 | Cc1nnc(N2CC3COCC3(CNC(=O)c3cccnc3)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=C][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch1] | N16CC2COCC28C1.Cc1nnc6s1.c17cccnc1.C47=O.C58.N45 |
1929369 | O=C(c1cnoc1)N1CC2COCC2(COc2ccccn2)C1 | [O][=C][Branch1][Branch2][C][C][=N][O][C][=Ring1][Branch1][N][C][C][C][O][C][C][Ring1][Branch1][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] | N13CC2COCC27C1.c15ccccn1.c16cnoc1.O=C36.C47.O45 |
1929370 | O=C1NCC(COc2cccnc2)C12CCN(c1ncc(F)cn1)C2 | [O][=C][N][C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][N] | O=C1NCC6C12CCN5C2.c15ncc(F)cn1.c14cccnc1.C36.O34 |
1929371 | COc1cc(N2CCOCC2c2nccc(NC3CCC3)n2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][=N][C][=N][Ring2][Ring1][#Branch1] | c14cc5ncn1.N15CCOCC18.c18nccc6n1.C17CCC1.CO4.N67 |
1929372 | CN1C(=O)CCC12CCCN(S(=O)(=O)Cc1ccccc1)CC2 | [C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | CN1C(=O)CCC12CCCN3CC2.c14ccccc1.S3(=O)(=O)C4 |
1929373 | CNC(=O)CC1CC2CN(S(=O)(=O)c3cccnc3)CC2O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring1][P] | C16CC2CN5CC2O1.S5(=O)(=O)c1cccnc1.C4(=O)C6.CN4 |
1929374 | c1ccc(OC2CCN(Cc3cccs3)C3CCOC23)nc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][O][C][Ring1][#C][Ring1][Branch1][N][=C][Ring2][Ring1][=Branch1] | C15CCN6C2CCOC12.c1ccc4nc1.c17cccs1.O45.C67 |
1929375 | COCCN1C(=O)CCC12CCCN(C(=O)C1CCOC1)CC2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][C][Ring1][=C] | N16C(=O)CCC12CCCN3CC2.C15CCOC1.C4C6.C35=O.CO4 |
1929376 | c1ccc(Nc2ccnc(C3COCCN3Cc3cccnc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][C][=N][C][Branch2][Ring1][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] | c15ccnc8n1.C18COCCN14.c1ccc6cc1.c17cccnc1.N56.C47 |
1929377 | c1csc(CN2CCOCC2c2csc(N3CCCC3)n2)c1 | [C][=C][S][C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | N14CCOCC17.c17csc5n1.c1csc6c1.N15CCCC1.C46 |
1929378 | Cc1nnc(N2CC3CCCC3(COc3cccnc3)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][Branch1][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][S][Ring2][Ring1][Branch1] | N16CC2CCCC27C1.Cc1nnc6s1.c15cccnc1.C47.O45 |
1929380 | O=C(CC1CC1)N1CCCC2(CCC(=O)N2CC2CC2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][C][C][Branch1][S][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][S] | N13CCCC2(CCC(=O)N24)CC1.O=C3C5.C15CC1.C16CC1.C46 |
1929381 | Cc1nnc(CC2OCC3CN(C(=O)Cc4ccco4)CCC32)o1 | [C][C][=N][N][=C][Branch2][Ring1][=N][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][=C][Ring1][P][O][Ring2][Ring1][#Branch1] | C16OCC2CN5CCC21.Cc1nnc7o1.c18ccco1.C5(=O)C8.C67 |
1929382 | Cn1cc(CN2CCOCC2c2csc(NCC3CC3)n2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2][C][=N][Ring2][Ring1][=Branch1] | N14CCOCC19.Cn1cc8cn1.c19csc6n1.C17CC1.C48.N56.C57 |
1929383 | CS(=O)(=O)N1CCOC2CN(C(=O)CC3=CCCCC3)CC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Ring1] | N15CCOC2CN4CC2C1.C4(=O)CC1=CCCCC1.CS5(=O)=O |
1929384 | Cn1nccc1C(=O)N1CCOCC1c1csc(N2CCCC2)n1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2] | N13CCOCC16.Cn1nccc15.c16csc4n1.N14CCCC1.C35=O |
1929385 | O=C(Cc1ccco1)N1CCOCC1c1nccc(NC2CCC2)n1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O] | N13CCOCC17.c17nccc4n1.c16ccco1.O=C3C6.C15CCC1.N45 |
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