ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1927358 | NC(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1 | [N][C][=Branch1][C][=O][N][C][C][NH1][N][=C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=N][C][Ring1][S] | N14Cc2[nH]nc7c2C1.c16cccnc1.NC4=O.C57.O56 |
1927359 | COCCC(=O)N1Cc2[nH]nc(COc3cccnc3)c2C1 | [C][O][C][C][C][=Branch1][C][=O][N][C][C][NH1][N][=C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=N][C][Ring1][S] | N14Cc2[nH]nc8c2C1.c17cccnc1.C5CC4=O.CO5.C68.O67 |
1927360 | C=CCOCc1cncc2c1CCN(Cc1ccoc1)C2 | [C][=C][C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N] | c16cncc2c1CCN5C2.c17ccoc1.C=CC3.O34.C46.C57 |
1927361 | CNC(=O)c1cc2c(nc1N(C)C)CCN(c1ncc(F)cn1)CC2 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | c16cc2c(nc14)CCN5CC2.c15ncc(F)cn1.C36=O.N4(C)C.CN3 |
1927362 | CNC(=O)c1cc2c(nc1NC(C)C)CCN(c1ncccn1)CC2 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c17cc2c(nc15)CCN6CC2.c16ncccn1.C37=O.C4(C)C.CN3.N45 |
1927363 | CCn1c2c(ccc1=O)CC(NC(=O)c1ccc3[nH]ccc3c1)CC2 | [C][C][N][C][=C][Branch1][#Branch1][C][=C][C][Ring1][=Branch1][=O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch1] | n17c2c(ccc1=O)CC5CC2.c16ccc2[nH]ccc2c1.C46=O.CC7.N45 |
1927365 | Cc1ccc(CN2Cc3cnn(C)c3C(COCC3CC3)C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][Ring1][S][O][Ring2][Ring1][=Branch1] | N16Cc2cnn(C)c2C(C4)C1.Cc1ccc7o1.C18CC1.C67.O45.C58 |
1927366 | C=CCOCC1c2nnn(C)c2CCN1Cc1nccs1 | [C][=C][C][O][C][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][=N][C][=C][S][Ring1][Branch1] | C4C1c2nnn(C)c2CCN15.c16nccs1.C=CC3.O34.C56 |
1927367 | CC(=O)N1CCC(c2nc3ccc(NC4CCC4)cn3n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][N][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=C][N][Ring1][O][N][=Ring1][=C][C][C][Ring2][Ring1][Ring2] | c18nc2ccc6cn2n1.N15CCC8CC1.C17CCC1.CC5=O.N67 |
1927368 | CS(=O)(=O)N1CC(c2ncn3ccccc23)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=C][C][N][=C][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] | c15ncn2ccccc12.N14CC5C1.CS4(=O)=O |
1927369 | CC(C)NC(=O)N1CC(c2ncn3cc(-c4cnn(C)c4)ccc23)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][C][N][=C][N][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=Ring1][#C][Ring1][N][C][Ring2][Ring1][Ring1] | c18ncn2cc9ccc12.c19cnn(C)c1.N16CC8C1.CC7C.C56=O.N57 |
1927371 | O=C(c1c[nH]cn1)N1Cc2cc(-c3cc[nH]n3)ccc2C1c1cnco1 | [O][=C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][N][C][C][=C][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][C][Ring1][=C][C][=C][N][=C][O][Ring1][Branch1] | N14Cc2cc6ccc2C1c1cnco1.c15c[nH]cn1.c16cc[nH]n1.O=C45 |
1927372 | CC(=O)N1CCC(n2cccn2)c2cc(NC3CCOC3)ccc21 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][Branch1][=Branch2][N][C][C][C][O][C][Ring1][Branch1][=C][C][=C][Ring1][N][Ring2][Ring1][Branch1] | N14CCC(n2cccn2)c2cc5ccc21.C16CCOC1.CC4=O.N56 |
1927373 | Cc1cc(C2c3ccccc3CCCN2C(=O)c2cc[nH]n2)ccn1 | [C][C][=C][C][Branch2][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][=C][C][=N][Ring2][Ring1][Branch2] | Cc1cc(C2c3ccccc3CCCN24)ccn1.c15cc[nH]n1.C45=O |
1927374 | CCC(=O)N1CCCC(C2C(=O)Nc3ccccc32)C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][S] | N14CCCC(C2C(=O)Nc3ccccc32)C1.CCC4=O |
1927375 | Cc1ccc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][N][=N][Ring2][Ring1][Branch2] | N14CCC2(CC1)CC5C(=O)N2C.Cc1ccc4nn1.c15ccccc1 |
1927376 | CN1C(=O)C(c2cccnc2)CC12CCN(c1ncc(F)cn1)CC2 | [C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N] | CN1C(=O)C4CC12CCN3CC2.c13ncc(F)cn1.c14cccnc1 |
1927377 | COc1cc(N2CCC(OC)C2Cc2ccccc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Ring2] | c13cc5ncn1.N15CCC4C16.c17ccccc1.CO3.O4C.C67 |
1927378 | CCS(=O)(=O)N1CCC(O)C1Cc1cnn(C)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | N12CCC(O)C13.c14cnn(C)c1.CCS2(=O)=O.C34 |
1927379 | Cc1ccc(N2CCC(NS(C)(=O)=O)C2Cc2ccccc2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][#Branch1] | Cc1ccc4nn1.N14CCC5C16.c17ccccc1.S3(C)(=O)=O.N35.C67 |
1927380 | CCC1=NC2(CCC(C(=O)NCc3ccco3)CC2)C(=O)N1C | [C][C][C][=N][C][Branch2][Ring1][#Branch1][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C] | CCC1=NC2(CCC6CC2)C(=O)N1C.c17ccco1.C46=O.N45.C57 |
1927381 | O=C(c1cnccn1)N1CCn2c(Cn3cncn3)cnc2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][N][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=C][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2c7cnc2C1.c15cnccn1.n16cncn1.O=C45.C67 |
1927382 | CCNC(=O)N1CC2Cc3nn(C(C)C)c(-c4ccncc4)c3C2C1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][Ring1][P][C][Ring2][Ring1][Ring2] | N16CC2Cc3nn8c9c3C2C1.c19ccncc1.C56=O.C8(C)C.CC7.N57 |
1927383 | CCN(C)C(=O)c1ccc2ccc(N(C)c3ccc(F)cc3)n2c1 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][S][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=Ring2][Ring1][C] | c18ccc2ccc6n2c1.c17ccc(F)cc1.N45C.C48=O.N67C.CC5 |
1927384 | COCCN1CCCc2sc(C(=O)NC3CC3)nc21 | [C][O][C][C][N][C][C][C][C][S][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][C][=Ring1][O][Ring1][#C] | N16CCCc2sc8nc21.C5C6.C48=O.C17CC1.CO5.N47 |
1927385 | Cn1c(C(=O)NC2CC2)nc2c1CCN(c1ncccn1)C2 | [C][N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | Cn1c6nc2c1CCN4C2.c14ncccn1.C36=O.C15CC1.N35 |
1927387 | CC(C)c1nc(-c2cc(C(=O)NC3CC3)c3ccccn23)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring2] | c18cc6c2ccccn12.c17nc8cs1.CC7C.C46=O.C15CC1.N45 |
1927388 | CCN(C)C(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N] | c17ccc2ccc8cn12.c16ccnn17.c18ccncc1.N45C.C46=O.CC5 |
1927390 | CN(C)C(=O)c1ccn(-c2ccc3ccc(-c4cnn(C)c4)cn23)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N][N][=Ring2][Ring1][Ring2] | c17ccc2ccc8cn12.c16ccn7n1.c18cnn(C)c1.CN5C.C56=O |
1927392 | CC(=O)N1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCCO3)C2 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C] | N14CCC2(CC1)CN5C2.c16ccc2c(c1)OCCO2.CC4=O.C56=O |
1927394 | CN1CCOC2(CCCN(C(=O)c3ccccc3)C2)C1 | [C][N][C][C][O][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1] | CN1CCOC2(CCCN4C2)C1.c15ccccc1.C45=O |
1927395 | CC(=O)N1CCCC2(CN(Cc3cccnc3)CCO2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][Ring2][Ring1][C] | N14CCCC2(C1)CN5CCO2.c16cccnc1.CC4=O.C56 |
1927396 | CC(=O)N1CCOC2(CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 | [C][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring2] | N14CCOC2(CCCN5C2)C1.c16ccc(Cl)cc1.CC4=O.C56=O |
1927398 | CS(=O)(=O)N1CC2CN(C(=O)c3ccco3)CC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][C][Ring1][#C] | N15CC2CN4CC2C1.c16ccco1.CS5(=O)=O.C46=O |
1927399 | Cc1cnc(N2CCC3C2CCN3c2ccc(C)nn2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][N][=C][Ring2][Ring1][Branch1] | N14CCC2C1CCN25.Cc1cnc4nc1.c15ccc(C)nn1 |
1927400 | Cc1cnc(N2CCC3C2CCN3c2nncs2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][Ring1] | N14CCC2C1CCN25.Cc1cnc4nc1.c15nncs1 |
1927402 | Cc1cccc(CN2CCOC3C(OCC4CCOCC4)CCC32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][=C][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.Cc1cccc9c1.C18CCOCC1.C79.O56.C58 |
1927403 | COC1C2CCC1N(C(=O)COc1ccc(F)cc1)CCO2 | [C][O][C][C][C][C][C][Ring1][Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][Ring2][Ring1][Ring1] | C15C2CCC1N3CCO2.c16ccc(F)cc1.C3(=O)C4.CO5.O46 |
1927404 | c1ccc(CN2CCc3c(COCc4cccnc4)cncc3C2)nc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2] | N17CCc2c9cncc2C1.c1ccc8nc1.c1%10cccnc1.C78.C59.O56.C6%10 |
1927405 | CCc1cnc(N2CCc3c(CNS(C)(=O)=O)cncc3C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][O][N][C][C][C][=C][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][C][=C][Ring1][N][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | N16CCc2c8cncc2C1.c17cnc6nc1.S5(C)(=O)=O.CC7.C48.N45 |
1927407 | COCC1c2nnn(C)c2CCN1Cc1scnc1C | [C][O][C][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][S][C][=N][C][=Ring1][Branch1][C] | C3C1c2nnn(C)c2CCN14.c15scnc1C.CO3.C45 |
1927408 | Cn1nnc2c1CCN(C(=O)C1CCC1)C2COCc1ccccc1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nnc2c1CCN3C2C4.c17ccccc1.C16CCC1.C36=O.O45.C57 |
1927409 | CNC(=O)c1cnc2n1CCN(C(=O)C1CC1C)C2 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N] | c15cnc2n1CCN4C2.C16CC1C.C35=O.C46=O.CN3 |
1927410 | CNC(=O)c1cnc2n1CCN(C(=O)CNC(C)=O)C2 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Ring1][=N] | c17cnc2n1CCN4C2.C4(=O)C6.C37=O.C5(C)=O.CN3.N56 |
1927412 | CCOc1cccc(C(=O)N2CC3CC(C)OC3C2)c1 | [C][C][O][C][=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][Ring1][P] | N14CC2CC(C)OC2C1.c16cccc7c1.C47=O.CC5.O56 |
1927413 | Cc1nc(C2CC3CN(C(=O)c4cc(C)c(C)s4)CC3O2)no1 | [C][C][=N][C][Branch2][Ring1][P][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring1][=C][O][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | C17CC2CN5CC2O1.c16cc(C)c(C)s1.Cc1nc7no1.C56=O |
1927414 | CCC(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] | N13CCC2(CC1)CN4C2=O.c14ccccc1.CCC3=O |
1927416 | CCC1COC2(CCN(c3ccc(C#N)cc3)C2)C1 | [C][C][C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=N][C][Ring1][P] | C15COC2(CCN4C2)C1.c14ccc(C#N)cc1.CC5 |
1927417 | O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC(c3ccccc3)CO2)C1 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][P][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][O][C][Ring1][#C] | N14CCC2(CC6CO2)C1.c15ccc2cc[nH]c2c1.c16ccccc1.O=C45 |
1927418 | COC1COC2(CCN(C(=O)c3cnc4ccccc4c3)C2)C1 | [C][O][C][C][O][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][P][C][Ring2][Ring1][Branch1] | C16COC2(CCN5C2)C1.c17cnc2ccccc2c1.C57=O.CO6 |
1927419 | COC1COC2(CCN(c3ccc(C#N)cc3)C2)C1 | [C][O][C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=N][C][Ring1][P] | C14COC2(CCN5C2)C1.c15ccc(C#N)cc1.CO4 |
1927420 | Cc1ccc(C(=O)N2CCC3(CC(OCC4CC4)CO3)C2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][Ring1][#Branch2][C][Ring1][=C][C][=N][Ring2][Ring1][=Branch1] | N15CCC2(CC7CO2)C1.Cc1ccc8cn1.C58=O.C19CC1.O67.C69 |
1927422 | COCCC1COC2(CCN(c3cnccn3)CC2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | C16COC2(CCN5CC2)C1.c15cnccn1.C4C6.CO4 |
1927423 | Cn1cc(NC2COC3(CCN(c4ccc(C#N)cc4)CC3)C2)cn1 | [C][N][C][=C][Branch2][Ring2][C][N][C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | C17COC2(CCN6CC2)C1.c16ccc(C#N)cc1.Cn1cc5cn1.N57 |
1927424 | O=C(NCC1CC1)C1CC2(CCCN(C(=O)c3ccno3)C2)CO1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][Ring1][=N][C][O][Ring1][P] | C17CC2(CCCN5C2)CO1.c18ccno1.O=C47.C19CC1.C58=O.N46.C69 |
1927425 | O=C(c1cc[nH]n1)N1CCC2(CCCN2c2ncccn2)CC1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][Branch1][#C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S] | N13CCC2(CCCN24)CC1.c14ncccn1.c15cc[nH]n1.O=C35 |
1927426 | Cn1ccc(C(=O)N2CCC3(CCCN3c3ncccn3)CC2)n1 | [C][N][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1] | N14CCC2(CCCN25)CC1.Cn1ccc6n1.c15ncccn1.C46=O |
1927427 | O=C(c1ccncc1F)N1CCC2(CCCN2c2ncccn2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][#C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S] | N13CCC2(CCCN24)CC1.c15ccncc1F.c14ncccn1.O=C35 |
1927428 | O=C1CCC2(CCC(Nc3ncccn3)CC2)N1Cc1ccncc1 | [O][=C][C][C][C][Branch2][Ring1][Ring1][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][N][Ring1][P][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1CCC2(CCC5CC2)N16.c14ncccn1.c17ccncc1.N45.C67 |
1927429 | O=C(c1cccs1)N1CCC2(CCN2c2ncccn2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][=C][C][C][N][Ring1][Ring2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C] | N13CCC2(CCN24)C1.c14ncccn1.c15cccs1.O=C35 |
1927430 | CNC(=O)N1CC(=O)NCC12CCN(C(=O)Nc1ccccc1)C2 | [C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | N14CC(=O)NCC12CCN5C2.c17ccccc1.C34=O.C56=O.CN3.N67 |
1927432 | CC1CCC2(CCN(S(C)(=O)=O)CC2)c2ccccc21 | [C][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CC1CCC2(CCN3CC2)c2ccccc21.S3(C)(=O)=O |
1927433 | CC1CCC2(CCN(C(=O)c3cc[nH]n3)CC2)c2ccccc21 | [C][C][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CC1CCC2(CCN4CC2)c2ccccc21.c15cc[nH]n1.C45=O |
1927434 | Cc1cccc(CN2CC3CN(c4ncc(F)cn4)CC3C2=O)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][N][C][Ring1][#C][=O][=N][Ring2][Ring1][#Branch1] | N16CC2CN5CC2C1=O.Cc1cccc7n1.c15ncc(F)cn1.C67 |
1927435 | CNC(=O)CN1CCOC2CN(c3cccc(F)c3)CC21 | [C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][N][Ring1][S] | N15CCOC2CN6CC21.c16cccc(F)c1.C4(=O)C5.CN4 |
1927436 | COc1cc(N2CC3OCCN(Cc4ccncc4)C3C2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S][=N][C][=N][Ring2][Ring1][=Branch1] | N17CC2OCCN6C2C1.c15cc7ncn1.c18ccncc1.CO5.C68 |
1927437 | O=C(Cc1cccnc1)N1CC2OCCN(c3ncccn3)C2C1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cccnc1.c15ncccn1.O=C4C6 |
1927438 | O=C1C2CN(c3ncccn3)CC2CCN1Cc1ccncc1 | [O][=C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][C][C][N][Ring1][#C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1C2CN4CC2CCN15.c14ncccn1.c16ccncc1.C56 |
1927439 | COCC1CC2OCCN(C(=O)c3ccc4c(c3)OCO4)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P][C][Ring2][Ring1][Ring2] | C18CC2OCCN5C2C1.c17ccc2c(c1)OCO2.C57=O.CO6.C68 |
1927440 | CCOCC1CC2OCCN(Cc3cccc(C#N)c3)C2C1 | [C][C][O][C][C][C][C][O][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][C] | C17CC2OCCN6C2C1.c18cccc(C#N)c1.CC4.O45.C57.C68 |
1927441 | Cn1nc(C#N)c2c1CN(C(=O)c1nc[nH]n1)CCC2 | [C][N][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][N][=C][NH1][N][=Ring1][Branch1][C][C][C][Ring1][=C] | Cn1nc(C#N)c2c1CN3CCC2.c14nc[nH]n1.C34=O |
1927442 | Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1ccsc1)CC2 | [C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=C] | Cc1nc4nc2c1CCN3CC2.N14CCCC1.c15ccsc1.C35=O |
1927443 | CCOCc1nnn2c1CN(C(=O)c1cc[nH]n1)CCC2 | [C][C][O][C][C][N][=N][N][C][=Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C][C][C][Ring1][=C] | c17nnn2c1CN3CCC2.c16cc[nH]n1.C36=O.CC4.O45.C57 |
1927444 | COCc1ncn2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 | [C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | c15ncn2c1CN4CC2.S4(=O)(=O)c1ccc(F)cc1.CO3.C35 |
1927445 | COC1CCN(c2ccc(C)nn2)C1Cc1ccccc1 | [C][O][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CCN4C15.c14ccc(C)nn1.c16ccccc1.CO3.C56 |
1927446 | COCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1CCOC | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][O][C] | c18cc2c(c3ccccc3n2C)n19.C5C7.N47C.C48=O.C9C6.CO5.O6C |
1927448 | O=C(Cc1cccnc1)N1CCCC1c1nnn2cc(C3CC3)ccc12 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][N][=N][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=Ring1][N][Ring1][=Branch2] | c16nnn2cc7ccc12.c15cccnc1.N14CCCC16.O=C4C5.C17CC1 |
1927449 | Cc1cc(C(=O)N2CC3NCc4ccccc4C3C2)nn1C | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][=N][=N][N][Ring2][Ring1][Ring2][C] | N15CC2NCc3ccccc3C2C1.Cc1cc6nn1C.C56=O |
1927450 | CN1CCOC2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1 | [C][N][C][C][O][C][Branch2][Ring1][S][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] | CN1CCOC2(CCCN4C2)C1.c15ccccc16.C6(F)(F)F.C45=O |
1927451 | CC(=O)N1CCC2(CCN(c3ccccc3)CC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | N14CCC2(CCN5CC2)C1.c15ccccc1.CC4=O |
1927452 | COC(=O)N1CCC2(CC1)NC(=O)c1ccccc12 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | N14CCC2(CC1)NC(=O)c1ccccc12.C34=O.CO3 |
1927453 | Cc1oncc1C(=O)N1CCC2(CCN(C)C2=O)CC1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][N] | N13CCC2(CC1)CCN(C)C2=O.Cc1oncc14.C34=O |
1927454 | Cc1ccc(N2CCC3(CCN(c4ccsc4)C3=O)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][P][C][C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | N15CCC2(CCN6C2=O)C1.Cc1ccc5nn1.c16ccsc1 |
1927455 | O=C1CC2C(CCN2S(=O)(=O)Cc2ccccc2)N1CC1CC1 | [O][=C][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][C][C][Ring1][Ring1] | O=C1CC2C(CCN23)N14.c16ccccc1.S3(=O)(=O)C6.C15CC1.C45 |
1927456 | COc1cc(N2CCC3C2CC(=O)N3c2cnn(C)c2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Branch1] | N15CCC2C1CC(=O)N26.c14cc5ncn1.c16cnn(C)c1.CO4 |
1927457 | COc1ccc(S(=O)(=O)N2CC(OC)C3COCC32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][C][O][C][C][Ring1][Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc(S6(=O)=O)cc1.N16CC4C2COCC21.CO5.O4C |
1927458 | C=CCN1C(=O)CCC2C1CCN2C(=O)c1ccc2[nH]ccc2c1 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | N15C(=O)CCC2C1CCN23.c14ccc2[nH]ccc2c1.C=CC5.C34=O |
1927459 | Cc1occc1C(=O)N1CC2CCCOC2C(NS(C)(=O)=O)C1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#C] | N13CC5C2OCCCC2C1.Cc1occc16.S4(C)(=O)=O.C36=O.N45 |
1927460 | O=C(NC1CN(c2nncs2)CC2CCCOC21)c1ccnnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][C][C][C][O][C][Ring1][=Branch1][Ring1][#C][C][=C][C][=N][N][=C][Ring1][=Branch1] | C15CN4CC2CCCOC12.c16ccnnc1.c14nncs1.O=C36.N35 |
1927461 | O=C(c1ccnnc1)N1CCc2ccc(=O)n(CC3CC3)c2CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][O][C][C][Ring1][S] | N14CCc2ccc(=O)n6c2CC1.c15ccnnc1.O=C45.C17CC1.C67 |
1927462 | CCS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2cc6nc2C1.CCS4(=O)=O.n15cncn1.C56 |
1927463 | CC(C)CN1CCCn2c(nc(CNC(=O)c3ccno3)cc2=O)C1 | [C][C][Branch1][C][C][C][N][C][C][C][N][C][=Branch2][Ring1][#Branch1][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=C][C][Ring1][#C][=O][C][Ring2][Ring1][Branch1] | N15CCCn2c(nc8cc2=O)C1.c17ccno1.CC(C)C5.C47=O.C68.N46 |
1927465 | C=CCOCC1c2nnn(C)c2CCN1Cc1ccc2c(c1)OCO2 | [C][=C][C][O][C][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | C4C1c2nnn(C)c2CCN15.c16ccc2c(c1)OCO2.C=CC3.O34.C56 |
1927466 | Cn1cc(-c2nnn3c2COC(CNC(=O)c2ccccn2)C3)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][N][=N][N][C][=Ring1][Branch1][C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S][C][=N][Ring2][Ring1][Branch2] | c18nnn2c1COC7C2.Cn1cc8cn1.c16ccccn1.C46=O.C57.N45 |
1927467 | Cc1nnn2c1COCC(CNc1ncccn1)C2 | [C][C][N][=N][N][C][=Ring1][Branch1][C][O][C][C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#C] | Cc1nnn2c1COCC5C2.c14ncccn1.C35.N34 |
1927468 | CS(=O)(=O)NC1CCN(C(=O)c2ccc[nH]2)C1Cc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCN3C17.c18ccccc1.c16ccc[nH]1.CS4(=O)=O.C36=O.N45.C78 |
1927469 | O=C1COC2(CCN(Cc3nccs3)CC2)CN1c1cccnc1 | [O][=C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][N][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C1COC2(CCN4CC2)CN16.c16cccnc1.c15nccs1.C45 |
1927470 | CC1CN(C(=O)c2ccc[nH]2)CC12CCN(c1cccnc1)C2=O | [C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O] | CC1CN3CC12CCN5C2=O.c15cccnc1.c14ccc[nH]1.C34=O |
1927471 | Cc1noc(C2CC3CN(C(=O)c4cccs4)CCC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=N][O][Ring1][S][=N][Ring2][Ring1][Branch1] | C17CC2CN5CCC2O1.Cc1noc7n1.c16cccs1.C56=O |
1927472 | O=C1CC2(CCCCN2C(=O)c2ccco2)CN1c1cccnc1 | [O][=C][C][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][N][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C1CC2(CCCCN23)CN15.c15cccnc1.c14ccco1.C34=O |
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