ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926467 | COCCNC(=O)C1CC2CCN(c3nncs3)CC2O1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][O][O][Ring1][=C] | C18CC2CCN7CC2O1.c17nncs1.C5C6.C48=O.CO5.N46 |
1926468 | CS(=O)(=O)N1CCC2CC(C(=O)NCC3CCOCC3)OC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][O][C][Ring1][#C][C][Ring2][Ring1][Ring1] | N16CCC2CC7OC2C1.C18CCOCC1.CS6(=O)=O.C47=O.N45.C58 |
1926469 | CNC(=O)C1CC2CCN(c3nnc(C)s3)CC2O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][N][O][Ring1][#C] | C16CC2CCN5CC2O1.c15nnc(C)s1.C46=O.CN4 |
1926470 | Cc1ccc(N2CCC3CC(C(=O)N4CCN(C)CC4)OC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][O][C][Ring1][=C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCC2CC7OC2C1.Cc1ccc6nn1.N15CCN(C)CC1.C57=O |
1926471 | COCCNC(=O)C1CC2CCN(c3ccncn3)CC2O1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][Ring1][N][O][Ring1][#C] | C18CC2CCN7CC2O1.c17ccncn1.C5C6.C48=O.CO5.N46 |
1926472 | COc1cc(N2CCC3OCCC(C(=O)NC4CCC4)C3C2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][N][N][C][C][C][O][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][C][Ring1][=N][C][Ring1][P][=N][C][=N][Ring2][Ring1][#Branch1] | N17CCC2OCCC9C2C1.c16cc7ncn1.C18CCC1.C59=O.CO6.N58 |
1926473 | CC(=O)N1CCC2OCCC(C(=O)Nc3cccnc3)C2C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1] | N14CCC2OCCC7C2C1.c16cccnc1.CC4=O.C57=O.N56 |
1926474 | CS(=O)(=O)N1CCC2OCCC(C(=O)Nc3cccnc3)C2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1] | N15CCC2OCCC7C2C1.c16cccnc1.CS5(=O)=O.C47=O.N46 |
1926475 | CC(=O)N1CCC2OCCC(C(=O)Nc3cccnc3C)C2C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2] | N14CCC2OCCC7C2C1.c16cccnc1C.CC4=O.C57=O.N56 |
1926476 | Cc1ccc(N2CCC3OCCC(C(=O)N4CCCC4)C3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][C][O][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N16CCC2OCCC7C2C1.Cc1ccc6nn1.N15CCCC1.C57=O |
1926477 | Cc1noc(C2CC3CN(C(=O)Cc4ccccn4)CCC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][=C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][O][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | C17CC2CN5CCC2O1.Cc1noc7n1.c16ccccn1.C5(=O)C6 |
1926478 | COc1ncccc1C(=O)N1CCC2OC(c3nc(C)no3)CC2C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][#C] | N14CCC2OC7CC2C1.c15ncccc16.c17nc(C)no1.C46=O.CO5 |
1926479 | COC1C2CCC1N(C(=O)c1cn(C)c3ccccc13)CCO2 | [C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring2] | C15C2CCC1N4CCO2.c16cn(C)c2ccccc12.C46=O.CO5 |
1926480 | COC1C2CCC1N(CCOCc1ccccc1)CCO2 | [C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][C] | C15C2CCC1N6CCO2.c17ccccc1.C6C3.CO5.O34.C47 |
1926481 | COC1C2CCC1N(C(=O)COc1ccccc1C)CCO2 | [C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][Ring2][Ring1][Ring1] | C15C2CCC1N3CCO2.c16ccccc1C.C3(=O)C4.CO5.O46 |
1926482 | COC1C2CCC1N(C(=O)c1sc3ccccc3c1C)CCO2 | [C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][O][Ring2][Ring1][Ring2] | C15C2CCC1N4CCO2.c16sc2ccccc2c1C.C46=O.CO5 |
1926483 | CCOC1C2CCC1N(C(=O)COc1ccccc1)CCO2 | [C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][C] | C16C2CCC1N3CCO2.c17ccccc1.C3(=O)C5.CC4.O46.O57 |
1926484 | CCOC1C2CCC1N(C(=O)c1cn(C)c3ccccc13)CCO2 | [C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring2] | C16C2CCC1N4CCO2.c17cn(C)c2ccccc12.C47=O.CC5.O56 |
1926485 | CCOC1C2CCC1N(CCOCc1ccccc1)CCO2 | [C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][C] | C16C2CCC1N7CCO2.c18ccccc1.C7C4.CC3.O36.O45.C58 |
1926486 | CCOC1C2CCC1N(C(=O)c1cccc3ccccc13)CCO2 | [C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring2] | C16C2CCC1N4CCO2.c17cccc2ccccc12.C47=O.CC5.O56 |
1926487 | C=CCOC1C2CCC1N(C(=O)c1cn(C)c3ccccc13)CCO2 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring2] | C16C2CCC1N4CCO2.c17cn(C)c2ccccc12.C=CC5.C47=O.O56 |
1926488 | C=CCOC1C2CCC1N(C(=O)c1cc3ccccc3s1)CCO2 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][O][Ring2][Ring1][Ring1] | C16C2CCC1N4CCO2.c17cc2ccccc2s1.C=CC5.C47=O.O56 |
1926489 | O=C(Cc1ccsc1)N1CCOC2CCC1C2OCC1CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1] | N13CCOC2CCC1C25.c17ccsc1.O=C3C7.C16CC1.O45.C46 |
1926490 | COCCN1CCOC2CCC1C2OCC1CC1 | [C][O][C][C][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1] | N16CCOC2CCC1C25.C3C6.C17CC1.CO3.O45.C47 |
1926491 | CCOCC(=O)N1CCOC2CCC1C2OCC1CC1 | [C][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1] | N13CCOC2CCC1C27.C5C3=O.C18CC1.CC4.O45.O67.C68 |
1926492 | CN(C)C(=O)N1CCOC2CCC1C2OCC1CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1] | N14CCOC2CCC1C26.CN3C.C34=O.C17CC1.O56.C57 |
1926493 | c1cncc(COC2C3CCC2N(C2CCOCC2)CCO3)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][O][C][C][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][=C][=C][Ring2][Ring1][#Branch1] | C15C2CCC1N6CCO2.c1cncc7c1.C16CCOCC1.C47.O45 |
1926494 | O=C(c1cccnc1)N1CCOC2CCC1C2OCc1ccncc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N13CCOC2CCC1C25.c16cccnc1.c17ccncc1.O=C36.O45.C47 |
1926495 | Cn1cc(CN2CCOC3CCC2C3Oc2ncccc2F)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][#Branch1] | N16CCOC2CCC1C25.c14ncccc1F.Cn1cc7cn1.C67.O45 |
1926496 | Cc1cc(C(=O)N2CCOC3CCC2C3Oc2ncccc2F)no1 | [C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring2][Ring1][Branch2] | N14CCOC2CCC1C26.c15ncccc1F.Cc1cc7no1.C47=O.O56 |
1926497 | Cc1nc(COCC2OCCc3cn(CC4CC4)nc32)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][O][C][C][O][C][C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][Ring1][=N][=C][S][Ring2][Ring1][Branch1] | C6C1OCCc2cn7nc21.Cc1nc8cs1.C19CC1.C58.O56.C79 |
1926499 | COCCn1cc2c(n1)C(CNC(=O)c1cc(C)[nH]c1C)OCC2 | [C][O][C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=Ring1][=Branch1][C][O][C][C][Ring2][Ring1][C] | n17cc2c(n1)C(C5)OCC2.c16cc(C)[nH]c1C.C4C7.C36=O.CO4.N35 |
1926500 | O=C(NCC1OCCc2cn(CC3CC3)nc21)c1ccsc1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][Ring1][=N][C][C][=C][S][C][=Ring1][Branch1] | C5C1OCCc2cn7nc21.c16ccsc1.O=C46.C18CC1.N45.C78 |
1926501 | O=C(NCC1OCCc2cn(CC3CC3)nc21)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | C6C1OCCc2cn7nc21.N15CCCC1.O=C45.C18CC1.N46.C78 |
1926502 | Cn1ncc2c1C(COCC1CC1)N(Cc1ccsc1)CC2 | [C][N][N][=C][C][=C][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][C] | Cn1ncc2c1C(C3)N5CC2.c17ccsc1.C16CC1.O34.C46.C57 |
1926504 | CCn1ncc2c1C(COCC1CC1)N(C(=O)c1cc(C)on1)CC2 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | n17ncc2c1C(C4)N3CC2.c16cc(C)on1.C18CC1.C36=O.CC7.O45.C58 |
1926505 | COCC1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2c1cnn2C | [C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][C][=N][N][Ring1][Branch1][C] | C5C1CN4Cc2c1cnn2C.c16ccc2c(c1)OCO2.C4(=O)C6.CO5 |
1926506 | CCn1ncc2c1CN(C(=O)c1cscn1)CC2COC | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][=N][C][O][C] | n16ncc2c1CN3CC2C4.c15cscn1.C35=O.CC6.O4C |
1926507 | COCC1CN(CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 | [C][O][C][C][C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C3C1CN6Cc2cn(C)nc21.c15ccc(Cl)cc1.C6C4.CO3.O45 |
1926508 | CCn1nc(C)cc1C(=O)N1Cc2cn(C)nc2C(COC)C1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][Ring2][C][O][C][C][Ring1][=N] | N13Cc2cn(C)nc2C(C4)C1.n16nc(C)cc15.C35=O.CC6.O4C |
1926510 | CCn1ncc2c1C(COC)CN(C(=O)c1cscn1)C2 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][Branch1][Ring2][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][S] | n16ncc2c1C(C4)CN3C2.c15cscn1.C35=O.CC6.O4C |
1926511 | CCOCC1CN(Cc2ccccc2OC)Cc2nn(CC)cc21 | [C][C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=N][N][Branch1][Ring1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] | C4C1CN6Cc2nn7cc21.c18ccccc15.CC3.O34.C68.O5C.C7C |
1926512 | CCn1cc2c(n1)CN(C(=O)c1ccco1)CC2COCC1CC1 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][C][O][C][C][C][C][Ring1][Ring1] | n17cc2c(n1)CN3CC2C4.c16ccco1.C36=O.C18CC1.CC7.O45.C58 |
1926513 | CCn1cc2c(n1)CN(C(=O)CC1C=CCC1)CC2COCC1CC1 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][Branch1][C][C][Ring1][#C][C][O][C][C][C][C][Ring1][Ring1] | n16cc2c(n1)CN3CC2C4.C17C=CCC1.C3(=O)C7.C18CC1.CC6.O45.C58 |
1926514 | Cc1cc(C(=O)N2CCc3c(nnn3C)C2COCC2CC2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][#Branch1][N][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2][C][O][C][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring1][#Branch1] | N14CCc2c(nnn2C)C1C5.Cc1cc7no1.C47=O.C18CC1.O56.C68 |
1926515 | COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccc(F)cc1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C5C1c2nnn7c2CCN14.c16ccc(F)cc1.C18CC1.C46=O.CO5.C78 |
1926516 | COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cccc(F)c1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C5C1c2nnn7c2CCN14.c16cccc(F)c1.C18CC1.C46=O.CO5.C78 |
1926517 | COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1 | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C5C1c2nnn7c2CCN14.c16ccccc1.C18CC1.C46=O.CO5.C78 |
1926518 | COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccc1F | [C][O][C][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C5C1c2nnn7c2CCN14.c16ccccc1F.C18CC1.C46=O.CO5.C78 |
1926519 | CC(=O)N1CCc2c(nnn2CC2CC2)C1COCC1CC1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][N][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=N][C][O][C][C][C][C][Ring1][Ring1] | N13CCc2c(nnn26)C1C4.CC3=O.C17CC1.C18CC1.C67.O45.C58 |
1926520 | CS(=O)(=O)N1CCc2c(nnn2CC2CC2)C1COCC1CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][N][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=N][C][O][C][C][C][C][Ring1][Ring1] | N15CCc2c(nnn26)C1C3.CS5(=O)=O.C17CC1.C18CC1.C67.O34.C48 |
1926521 | CCOCC1CN(Cc2nccs2)Cc2nnn(C)c21 | [C][C][O][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring1][S] | C4C1CN5Cc2nnn(C)c21.c16nccs1.CC3.O34.C56 |
1926522 | CCn1nnc2c1C(COC)CN(C(=O)c1cnc(C)cn1)C2 | [C][C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][Ring2][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Ring2][Ring1][C] | n16nnc2c1C(C4)CN3C2.c15cnc(C)cn1.C35=O.CC6.O4C |
1926523 | CCn1nnc2c1C(COCC1CC1)CN(C(=O)c1ccnnc1)C2 | [C][C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | n17nnc2c1C(C4)CN3C2.c16ccnnc1.C18CC1.C36=O.CC7.O45.C58 |
1926524 | COCC1CN(Cc2ccc(C)s2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][Ring2] | C4C1CN5Cc2nnn6c21.c17ccc(C)s1.C18CC1.CO4.C57.C68 |
1926525 | COCC1CN(C(=O)c2ccc(C)cc2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][=Branch1] | C5C1CN4Cc2nnn7c21.c16ccc(C)cc1.C46=O.C18CC1.CO5.C78 |
1926526 | COCC1CN(C(=O)c2ccc(F)cc2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][=Branch1] | C5C1CN4Cc2nnn7c21.c16ccc(F)cc1.C46=O.C18CC1.CO5.C78 |
1926527 | COCC1CN(C(=O)c2ccccc2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][Branch1] | C5C1CN4Cc2nnn7c21.c16ccccc1.C46=O.C18CC1.CO5.C78 |
1926528 | COCC1CN(C(=O)c2cccc(C)c2)Cc2nnn(CC3CC3)c21 | [C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][N][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][Ring2][Ring1][=Branch1] | C5C1CN4Cc2nnn7c21.c16cccc(C)c1.C46=O.C18CC1.CO5.C78 |
1926529 | Cc1ccc(N2CCC(O)C2Cc2ccccc2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][Ring1] | Cc1ccc3nn1.N13CCC(O)C14.c15ccccc1.C45 |
1926530 | CC1CC2CN(C(=O)c3ccc4ncccc4c3)CC2O1 | [C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring1][P][O][Ring2][Ring1][Ring2] | c16ccc2ncccc2c1.CC1CC2CN5CC2O1.C56=O |
1926532 | COc1ccc(C(=O)N2CC3CC(C)OC3C2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][P][F] | N14CC2CC(C)OC2C1.c15ccc6cc1F.C46=O.CO5 |
1926533 | Cc1cc(F)c(F)cc1C(=O)N1CC2CC(C)OC2C1 | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring1][=Branch2] | Cc1cc(F)c(F)cc14.N13CC2CC(C)OC2C1.C34=O |
1926535 | COc1ccc(Cl)c(C(=O)N2CC3CC(C)OC3C2)c1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][C] | N14CC2CC(C)OC2C1.c15ccc(Cl)c6c1.C46=O.CO5 |
1926536 | COc1ccc(C(=O)N2CC3CC(C)OC3C2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][P][Cl] | N14CC2CC(C)OC2C1.c15ccc6cc1Cl.C46=O.CO5 |
1926537 | CC1CC2CN(C(=O)c3ccc4c(c3)OCCCO4)CC2O1 | [C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCCO2.CC1CC2CN5CC2O1.C56=O |
1926538 | Cc1noc(C2CC3CN(C(=O)c4cccs4)CC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][O][Ring1][#C][=N][Ring2][Ring1][Ring2] | C17CC2CN5CC2O1.Cc1noc7n1.c16cccs1.C56=O |
1926539 | Cc1nc(CN2CC3CC(c4nnc(C5CC5)o4)OC3C2)cs1 | [C][C][=N][C][Branch2][Ring1][=C][C][N][C][C][C][C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][Ring1][=N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N16CC2CC8OC2C1.Cc1nc7cs1.c18nnc9o1.C19CC1.C67 |
1926540 | Fc1cnc(N2CC3CC(c4nnc(C5CC5)o4)OC3C2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][C][C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][Ring1][=N][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | N16CC2CC7OC2C1.Fc1cnc6nc1.c17nnc8o1.C18CC1 |
1926541 | O=C(c1ccsc1)N1CC2CC(c3nnc(C4CC4)o3)OC2C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][Ring1][=N][C][Ring1][S] | N15CC2CC7OC2C1.c17nnc8o1.c16ccsc1.O=C56.C18CC1 |
1926542 | Cc1cc(C(=O)N2CC3CC(c4nnc(C5CC5)o4)OC3C2)c(C)[nH]1 | [C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][Ring1][=N][C][Ring1][S][=C][Branch1][C][C][NH1][Ring2][Ring1][Branch2] | N16CC2CC8OC2C1.Cc1cc7c(C)[nH]1.c18nnc9o1.C67=O.C19CC1 |
1926544 | Cc1nc(C2CC3CN(C(=O)c4cccs4)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | C17CC2CN5CC2O1.Cc1nc7no1.c16cccs1.C56=O |
1926545 | Cc1nc(C2CC3CN(C(=O)c4sccc4C)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][=N][O][Ring1][S][=N][O][Ring2][Ring1][Branch1] | C17CC2CN5CC2O1.Cc1nc7no1.c16sccc1C.C56=O |
1926546 | CC1CC2CN(C(=O)Cc3cccs3)CCC2O1 | [C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=C][O][Ring1][P] | CC1CC2CN4CCC2O1.c15cccs1.C4(=O)C5 |
1926547 | CC1CC2CN(C(=O)c3cn(C)c4ccccc34)CCC2O1 | [C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1] | CC1CC2CN5CCC2O1.c16cn(C)c2ccccc12.C56=O |
1926548 | Cc1csc(C2CC3CN(C(=O)c4cc(C)on4)CCC3O2)n1 | [C][C][=C][S][C][Branch2][Ring1][=C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][C][Ring1][=C][O][Ring1][P][=N][Ring2][Ring1][=Branch1] | C17CC2CN5CCC2O1.Cc1csc7n1.c16cc(C)on1.C56=O |
1926549 | Cc1cccc(C(=O)N2CCC3CC(C)OC3C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][C] | N14CCC2CC(C)OC2C1.Cc1cccc5n1.C45=O |
1926550 | Cc1ccc(C(=O)N2CCC3CC(c4nccs4)OC3C2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][O][C][Ring1][#Branch2][C][Ring1][=C][C][=N][Ring2][Ring1][=Branch1] | N15CCC2CC7OC2C1.Cc1ccc6cn1.c17nccs1.C56=O |
1926551 | O=C(CC1=CCCCC1)N1CCC2CC(c3nccs3)OC2C1 | [O][=C][Branch1][#Branch2][C][C][=C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][O][C][Ring1][#Branch2][C][Ring1][=C] | N14CCC2CC5OC2C1.O=C4CC1=CCCCC1.c15nccs1 |
1926552 | CCn1nc(C)cc1C(=O)N1CCC2CC(c3nccs3)OC2C1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][O][C][Ring1][#Branch2][C][Ring1][=C] | N14CCC2CC7OC2C1.n16nc(C)cc15.c17nccs1.C45=O.CC6 |
1926553 | Cc1csc(C2CC3CCN(C(=O)c4ccnnc4)CC3O2)n1 | [C][C][=C][S][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring1][P][=N][Ring2][Ring1][=Branch1] | C17CC2CCN5CC2O1.Cc1csc7n1.c16ccnnc1.C56=O |
1926554 | Cc1nc(C2CC3CCN(C(=O)c4ccnnc4)CC3O2)sc1C | [C][C][N][=C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring1][P][S][C][=Ring2][Ring1][=Branch1][C] | C17CC2CCN5CC2O1.Cc1nc7sc1C.c16ccnnc1.C56=O |
1926559 | Cc1nc(C2CC3CCN(Cc4nccs4)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][C][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | C17CC2CCN5CC2O1.Cc1nc7no1.c16nccs1.C56 |
1926560 | Cc1csc(CN2CCC3CC(c4noc(C)n4)OC3C2)n1 | [C][C][=C][S][C][Branch2][Ring1][O][C][N][C][C][C][C][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][O][C][Ring1][O][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | N15CCC2CC7OC2C1.Cc1csc6n1.c17noc(C)n1.C56 |
1926561 | Cc1n[nH]c(C2CC3CCN(C(=O)c4ccsc4)CC3O2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][O][C][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N][O][Ring1][S][=N][Ring2][Ring1][Branch1] | C17CC2CCN5CC2O1.Cc1n[nH]c7n1.c16ccsc1.C56=O |
1926562 | Cc1nc(C2CC3CCN(C(=O)c4ccc(C)o4)CC3O2)n[nH]1 | [C][C][=N][C][Branch2][Ring1][=C][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=C][O][Ring1][P][=N][NH1][Ring2][Ring1][=Branch1] | C17CC2CCN5CC2O1.Cc1nc7n[nH]1.c16ccc(C)o1.C56=O |
1926563 | O=C(c1ccco1)N1CCC2CC(c3nccs3)OC2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][O][C][Ring1][#Branch2][C][Ring1][=C] | N14CCC2CC6OC2C1.c15ccco1.c16nccs1.O=C45 |
1926564 | COc1ncccc1C(=O)N1CCC2CC(c3nccs3)OC2C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][O][C][Ring1][#Branch2][C][Ring1][=C] | N14CCC2CC7OC2C1.c15ncccc16.c17nccs1.C46=O.CO5 |
1926565 | Cc1cc(C(=O)N2CCC3CC(c4nnc(C5CC5)o4)OC3C2)no1 | [C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][Ring1][=N][C][Ring1][P][=N][O][Ring2][Ring1][Branch2] | N16CCC2CC8OC2C1.Cc1cc7no1.c18nnc9o1.C67=O.C19CC1 |
1926566 | Cc1nc(C2CC3CCN(C(=O)c4cccn4C)CC3O2)sc1C | [C][C][N][=C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][=C][O][Ring1][P][S][C][=Ring2][Ring1][=Branch1][C] | C17CC2CCN5CC2O1.Cc1nc7sc1C.c16cccn1C.C56=O |
1926568 | Cc1nc(C2CC3CCN(C(=O)c4ccoc4)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][O][C][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=N][O][Ring1][S][=N][O][Ring2][Ring1][Branch1] | C17CC2CCN5CC2O1.Cc1nc7no1.c16ccoc1.C56=O |
1926569 | Cc1nc(C2CC3CCN(C(=O)c4ccoc4C)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C][O][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | C17CC2CCN5CC2O1.Cc1nc7no1.c16ccoc1C.C56=O |
1926570 | Cc1nc(C2CC3CCN(C(=O)Cc4ccsc4)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=C][O][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | C17CC2CCN5CC2O1.Cc1nc7no1.c16ccsc1.C5(=O)C6 |
1926571 | O=C(c1cscn1)N1CCC2(C1)CN(C(=O)c1ccco1)C2 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N] | N13CCC2(C1)CN4C2.c15cscn1.c16ccco1.O=C35.C46=O |
1926572 | Cc1ccc(C(=O)N2CC3(CCN(C(=O)c4cscn4)C3)C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][N][C][Ring1][#C][O][Ring2][Ring1][=Branch1] | N15CC2(CCN6C2)C1.Cc1ccc7o1.c18cscn1.C57=O.C68=O |
1926575 | O=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncccn1)C2 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N] | N13CCC2(CC1)CCN4C2.c15cccnc1.c14ncccn1.O=C35 |
1926576 | O=C(c1ccccn1)N1CCC2(CCNC2=O)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][O] | N13CCC2(CCNC2=O)CC1.c14ccccn1.O=C34 |
1926577 | Cc1cccc(C(=O)N2CCC3(CCN(C)C3=O)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][N][=N][Ring2][Ring1][Ring2] | N14CCC2(CC1)CCN(C)C2=O.Cc1cccc5n1.C45=O |
1926578 | CN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O | [C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][=O] | CN1CCC2(CCN4CC2)C1=O.c15ccccn1.C45=O |
1926579 | CN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O | [C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][Ring1][S][=O] | CN1CCC2(CCN4CC2)C1=O.S4(=O)(=O)C1CC1 |
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