ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926580 | CCN1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)C1=O | [C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | N16CCC2(CCN4CC2)C1=O.c15cccc(C)n1.C45=O.CC6 |
1926581 | CCN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O | [C][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] | N16CCC2(CCN4CC2)C1=O.c15ccccn1.C45=O.CC6 |
1926582 | CCN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O | [C][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] | N15CCC2(CCN4CC2)C1=O.S4(=O)(=O)C1CC1.CC5 |
1926583 | COCCN1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)C1=O | [C][O][C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | N17CCC2(CCN4CC2)C1=O.c16cccc(C)n1.C5C7.C46=O.CO5 |
1926584 | COCCN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O | [C][O][C][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] | N17CCC2(CCN4CC2)C1=O.c16ccccn1.C5C7.C46=O.CO5 |
1926585 | COCCN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O | [C][O][C][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] | N16CCC2(CCN5CC2)C1=O.S5(=O)(=O)C1CC1.C4C6.CO4 |
1926586 | C=CCN1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | N16CCC2(CCN4CC2)C1=O.c15cccc(C)n1.C=CC6.C45=O |
1926587 | C=CCN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O | [C][=C][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] | N16CCC2(CCN4CC2)C1=O.c15ccccn1.C=CC6.C45=O |
1926588 | C=CCN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O | [C][=C][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] | N15CCC2(CCN4CC2)C1=O.S4(=O)(=O)C1CC1.C=CC5 |
1926589 | CN(C)C(=O)CN1CCC2(CCN(C(=O)c3ccccn3)CC2)C1=O | [C][N][Branch1][C][C][C][=Branch1][C][=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] | N17CCC2(CCN5CC2)C1=O.c16ccccn1.C4(=O)C7.CN4C.C56=O |
1926590 | CN(C)C(=O)CN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O | [C][N][Branch1][C][C][C][=Branch1][C][=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] | N16CCC2(CCN5CC2)C1=O.S5(=O)(=O)C1CC1.C4(=O)C6.CN4C |
1926591 | c1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1 | [C][=C][N][=C][Branch2][Ring1][O][N][C][C][C][C][Branch1][P][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | N15CCCC2(CCN6C2)C1.c1cnc5nc1.c16ncccn1 |
1926592 | COCC(=O)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | N13CCC2(CC1)CCN4CC2.c16cccs1.C5C3=O.C46=O.CO5 |
1926593 | CS(=O)(=O)N1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][C] | N15CCC2(CCN4CC2)CC1.c16cccs1.CS5(=O)=O.C46=O |
1926594 | CN(C)C(=O)N1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][C] | N15CCC2(CC1)CCN6CC2.c17cccs1.CN4C.C45=O.C67=O |
1926595 | COCC(=O)N1CCC2(CC1)CCN(c1ccc(C)nn1)CC2 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][C][Ring1][#C] | N13CCC2(CC1)CCN5CC2.c15ccc(C)nn1.C4C3=O.CO4 |
1926596 | Cc1ccc(N2CCC3(CC2)CCN(S(C)(=O)=O)CC3)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N][N][=N][Ring2][Ring1][Branch1] | N15CCC2(CCN4CC2)CC1.Cc1ccc5nn1.S4(C)(=O)=O |
1926597 | CCS(=O)(=O)N1CCC2(CCN(c3ccc(C)nn3)CC2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][C] | N14CCC2(CC1)CCN5CC2.c15ccc(C)nn1.CCS4(=O)=O |
1926598 | Cc1ccc(N2CCC3(CCN(C(=O)N(C)C)CC3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | N16CCC2(CCN4CC2)CC1.Cc1ccc6nn1.C45=O.N5(C)C |
1926599 | N#Cc1cccc(NC2COC3(CCN(Cc4nccs4)C3)C2)n1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C][=N][Ring2][Ring1][=Branch1] | C17COC2(CCN5C2)C1.N#Cc1cccc6n1.c18nccs1.N67.C58 |
1926600 | c1cnc(NC2COC3(CCN(Cc4nccs4)C3)C2)nc1 | [C][=C][N][=C][Branch2][Ring1][O][N][C][C][O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] | C17COC2(CCN5C2)C1.c1cnc6nc1.c18nccs1.N67.C58 |
1926601 | O=C(c1ccnnc1)N1CCCC2(CC(Nc3ncccn3)CO2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC6CO2)C1.c17ccnnc1.c15ncccn1.O=C47.N56 |
1926603 | Cc1ccc(NC2COC3(CCCN(Cc4nccs4)C3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][O][C][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][N][C][Ring1][S][N][=N][Ring2][Ring1][#Branch1] | C17COC2(CCCN5C2)C1.Cc1ccc6nn1.c18nccs1.N67.C58 |
1926604 | COCC(=O)N1CCCC2(CCN(Cc3cccnc3)C2=O)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN6C2=O)C1.c17cccnc1.C5C4=O.CO5.C67 |
1926605 | CN(C)C(=O)N1CCCC2(CCN(Cc3cccnc3)C2=O)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N15CCCC2(CCN6C2=O)C1.c17cccnc1.CN4C.C45=O.C67 |
1926606 | O=C(c1ccco1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN6C2=O)C1.c17ccncc1.c15ccco1.O=C45.C67 |
1926607 | O=C(c1ccco1)N1CCCC2(CCN(c3cncnc3)C2=O)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Ring1][P] | N14CCCC2(CCN6C2=O)C1.c16cncnc1.c15ccco1.O=C45 |
1926608 | Cc1ccc(C(=O)N2CCCC3(CCN(c4cncnc4)C3=O)C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Ring1][P][O][Ring2][Ring1][Branch2] | N15CCCC2(CCN7C2=O)C1.Cc1ccc6o1.c17cncnc1.C56=O |
1926609 | O=C1N(c2ccsc2)CCC12CCCN(Cc1nccs1)C2 | [O][=C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][#Branch2][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][N] | O=C1N5CCC12CCCN3C2.c15ccsc1.c14nccs1.C34 |
1926613 | CN1CCOCC12CCN(Cc1ccco1)CC2 | [C][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N] | CN1CCOCC12CCN3CC2.c14ccco1.C34 |
1926614 | Cc1ccc(CN2CCC3(CC2)COCCN3C)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][C][N][Ring1][Branch2][C][O][Ring2][Ring1][C] | N14CCC2(CC1)COCCN2C.Cc1ccc5o1.C45 |
1926615 | Fc1cnc(N2CCOC3(CCN(c4ncccn4)CC3)C2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CCOC2(CCN6CC2)C1.Fc1cnc5nc1.c16ncccn1 |
1926616 | Fc1cccc(N2CCCC3(CN(Cc4ccoc4)CCO3)C2)c1 | [F][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring1][P][=C][Ring2][Ring1][#Branch1] | N16CCCC2(CN5CCO2)C1.Fc1cccc6c1.c17ccoc1.C57 |
1926617 | CC(=O)N1CCCC2(CN(Cc3ccsc3)CCO2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(C1)CN5CCO2.c16ccsc1.CC4=O.C56 |
1926618 | O=C(c1ccco1)N1CCCC2(CN(Cc3ccsc3)CCO2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(C1)CN5CCO2.c16ccco1.c17ccsc1.O=C46.C57 |
1926619 | c1cnc(N2CCCC3(CN(Cc4ccsc4)CCO3)C2)cn1 | [C][=C][N][=C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring1][P][C][=N][Ring2][Ring1][#Branch1] | N16CCCC2(CN5CCO2)C1.c1cnc6cn1.c17ccsc1.C57 |
1926620 | CS(=O)(=O)N1CCCC12CCN(Cc1nccs1)CC2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | N14CCCC12CCN3CC2.c15nccs1.CS4(=O)=O.C35 |
1926621 | O=C(c1ccco1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | N13CCC2(CCC(=O)N25)CC1.c16ccccc1.c14ccco1.O=C34.C56 |
1926623 | COCC(=O)N1CCCC2(COCCN(c3cccnc3)C2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCC2(COCCN6C2)C1.c16cccnc1.C5C4=O.CO5 |
1926624 | C=CCN1CCOCC2(C1)CN(Cc1cccnc1)CCO2 | [C][=C][C][N][C][C][O][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][Ring1][=C] | N13CCOCC2(C1)CN4CCO2.c15cccnc1.C=CC3.C45 |
1926625 | CS(=O)(=O)N1CCOCC2(CN(Cc3cccnc3)CCO2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][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][Ring1] | N15CCOCC2(CN4CCO2)C1.c16cccnc1.CS5(=O)=O.C46 |
1926626 | CC(=O)N1CCOCC2(CN(Cc3cccnc3)CCO2)C1 | [C][C][=Branch1][C][=O][N][C][C][O][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][Ring1] | N14CCOCC2(C1)CN5CCO2.c16cccnc1.CC4=O.C56 |
1926627 | CCN1CCN(C)C2(CCN(Cc3ccc(C)s3)CC2)C1=O | [C][C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring1][=O] | N15CCN(C)C2(CCN4CC2)C1=O.c16ccc(C)s1.CC5.C46 |
1926628 | CC(C)CN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O | [C][C][Branch1][C][C][C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][C][=O] | N15CCN(C)C2(CCN4CC2)C1=O.c16cccs1.CC(C)C5.C46 |
1926630 | C=CCN1CCN(C)C2(CCN(Cc3ccc(C)s3)CC2)C1=O | [C][=C][C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring1][=O] | N15CCN(C)C2(CCN4CC2)C1=O.c16ccc(C)s1.C=CC5.C46 |
1926631 | CN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1ccco1)C2 | [C][N][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][=N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N] | CN1CC(=O)N5CC12CCN3C2.c15cnn(C)c1.c14ccco1.C34=O |
1926632 | CCN1CC(=O)NCC12CCN(C(=O)Nc1cccc(OC)c1)C2 | [C][C][N][C][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][S] | N16CC(=O)NCC12CCN3C2.c17cccc5c1.C34=O.CC6.N47.O5C |
1926633 | O=C1N(Cc2cccnc2)CCC12CCN(Cc1nccs1)C2 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | O=C1N4CCC12CCN3C2.c16cccnc1.c15nccs1.C46.C35 |
1926634 | Cc1ccc(C(=O)N2CCC3(CCN(c4cnn(C)c4)C3=O)C2)o1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][O][=O][C][Ring1][S][O][Ring2][Ring1][#Branch1] | N15CCC2(CCN7C2=O)C1.Cc1ccc6o1.c17cnn(C)c1.C56=O |
1926636 | O=C(c1ccsc1)N1CCC2(CC(=O)N(c3ccccn3)C2)C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | N14CCC2(CC(=O)N6C2)C1.c16ccccn1.c15ccsc1.O=C45 |
1926637 | O=C(c1ccccn1)N1CCC2(CC(=O)N(c3cncnc3)C2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | N14CCC2(CC(=O)N6C2)C1.c15ccccn1.c16cncnc1.O=C45 |
1926638 | O=C(C1CCOCC1)N1CCC2(CC(=O)N(c3cncnc3)C2)C1 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | N14CCC2(CC(=O)N6C2)C1.C15CCOCC1.c16cncnc1.O=C45 |
1926639 | COCC(=O)N1CCC2(CC(=O)N(c3ccc(C)s3)C2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | N14CCC2(CC(=O)N6C2)C1.c16ccc(C)s1.C5C4=O.CO5 |
1926640 | Cc1ccc(N2CC3(CCN(C(=O)N(C)C)C3)CC2=O)s1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][Branch2][Ring1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][#Branch2][C][C][Ring1][=C][=O][S][Ring2][Ring1][Ring2] | N16CC2(CCN4C2)CC1=O.Cc1ccc6s1.C45=O.N5(C)C |
1926641 | Cn1ccc(C(=O)NC2CCC23CCN(C(=O)N2CCCC2)CC3)c1 | [C][N][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch2] | C17CCC12CCN5CC2.Cn1ccc8c1.N16CCCC1.C48=O.C56=O.N47 |
1926642 | COCC1CCCC12CN(Cc1cnn(C)c1)CCO2 | [C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][O][Ring1][=N] | C15CCCC12CN4CCO2.c16cnn(C)c1.CO3.C35.C46 |
1926643 | COCC1CCCC12CN(Cc1ccccn1)CCO2 | [C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][=N] | C16CCCC12CN4CCO2.c15ccccn1.CO3.C36.C45 |
1926644 | COCC1CCCC12CN(C(=O)c1ccncc1)CCO2 | [C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][O][Ring1][=C] | C16CCCC12CN3CCO2.c15ccncc1.C35=O.CO4.C46 |
1926645 | COCC1CCCC12CN(C(=O)c1ccnnc1)CCO2 | [C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][O][Ring1][=C] | C16CCCC12CN3CCO2.c15ccnnc1.C35=O.CO4.C46 |
1926646 | CCOCC1CCCC12CN(Cc1cnn(C)c1)CCO2 | [C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][O][Ring1][=N] | C16CCCC12CN5CCO2.c17cnn(C)c1.CC3.O34.C46.C57 |
1926647 | CCOCC1CCCC12CN(Cc1ccccn1)CCO2 | [C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][=N] | C17CCCC12CN5CCO2.c16ccccn1.CC3.O34.C47.C56 |
1926648 | C=CCOCC1CCCC12CN(Cc1cnn(C)c1)CCO2 | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][O][Ring1][=N] | C16CCCC12CN5CCO2.c17cnn(C)c1.C=CC3.O34.C46.C57 |
1926649 | C=CCOCC1CCCC12CN(Cc1ccccn1)CCO2 | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][=N] | C17CCCC12CN5CCO2.c16ccccn1.C=CC3.O34.C47.C56 |
1926650 | c1ccc(CN2CCOC3(CCCC3COc3cccnc3)C2)nc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][N][C][C][O][C][Branch1][P][C][C][C][C][Ring1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch2] | N16CCOC2(CCCC28)C1.c1ccc7nc1.c15cccnc1.C67.C48.O45 |
1926651 | CC(C)NC(=O)C1CN(Cc2ccncc2)CC12CCOCC2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | C16CN5CC12CCOCC2.c17ccncc1.CC4C.C36=O.N34.C57 |
1926653 | O=C(NCC1CC1)C1CN(C(=O)c2ccco2)CC12CCOCC2 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | C17CN4CC12CCOCC2.c16ccco1.O=C37.C18CC1.C46=O.N35.C58 |
1926654 | O=C(C1CN(Cc2cccs2)CC12CCOCC2)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | C15CN4CC12CCOCC2.c16cccs1.N13CCCC1.O=C35.C46 |
1926656 | c1cc(CN2CCOCC3(CCC(CN4CCOCC4)O3)C2)ccn1 | [C][=C][C][Branch2][Ring1][S][C][N][C][C][O][C][C][Branch2][Ring1][C][C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][N][C][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][=Branch2] | N15CCOCC2(CCC7O2)C1.c1cc8ccn1.N16CCOCC1.C58.C67 |
1926657 | CCC1N(C(=O)c2cccnc2)CCCC12CCC(=O)N2 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] | C15N3CCCC12CCC(=O)N2.c14cccnc1.C34=O.CC5 |
1926658 | CCC1N(C(=O)c2ccnnc2)CCCC12CCC(=O)N2 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] | C15N3CCCC12CCC(=O)N2.c14ccnnc1.C34=O.CC5 |
1926659 | CCC1N(C(=O)c2cccnc2)CCCC12CCC(=O)N2C | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C] | C15N3CCCC12CCC(=O)N2C.c14cccnc1.C34=O.CC5 |
1926660 | CCC1N(C(=O)c2ccnnc2)CCCC12CCC(=O)N2C | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C] | C15N3CCCC12CCC(=O)N2C.c14ccnnc1.C34=O.CC5 |
1926661 | CCC1N(C(=O)c2cccnc2)CCCC12CCC(=O)N2CCOC | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][O][C] | C17N3CCCC12CCC(=O)N26.c15cccnc1.C35=O.C6C4.CC7.O4C |
1926663 | C=CCN1C(=O)CCC12CCCN(C(=O)c1cccnc1)C2CC | [C][=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][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][C] | N15C(=O)CCC12CCCN3C26.c14cccnc1.C=CC5.C34=O.C6C |
1926664 | O=C1Nc2ccccc2C12CCN(Cc1nccs1)CC2 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | O=C1Nc2ccccc2C12CCN3CC2.c14nccs1.C34 |
1926665 | CN1C(=O)C2(CCN(Cc3nccs3)CC2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CN1C(=O)C2(CCN4CC2)c2ccccc21.c15nccs1.C45 |
1926666 | CNC(=O)CC1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][P][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C3(=O)CC1CC2(CCN4CC2)Oc2ccccc21.C4(=O)C5.CN3.O5C |
1926667 | CNC(=O)CC1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C3(=O)CC1CC2(CCN4CC2)Oc2ccccc21.C45=O.N5(C)C.CN3 |
1926668 | O=C(c1ccco1)N1CC2CN(c3ccccc3)C(=O)C2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN6C(=O)C2C1.c16ccccc1.c15ccco1.O=C45 |
1926669 | O=C(c1cnccn1)N1CC2CN(c3ccccc3)C(=O)C2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN6C(=O)C2C1.c15cnccn1.c16ccccc1.O=C45 |
1926670 | Cc1ccc(C(=O)N2CC3CN(c4ccccc4)C(=O)C3C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C][O][Ring2][Ring1][=Branch1] | N15CC2CN7C(=O)C2C1.Cc1ccc6o1.c17ccccc1.C56=O |
1926671 | O=C(c1ccoc1)N1CC2CN(c3cncnc3)C(=O)C2C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN6C(=O)C2C1.c16cncnc1.c15ccoc1.O=C45 |
1926672 | Cc1cccc(C(=O)N2CC3CN(c4cncnc4)C(=O)C3C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] | N15CC2CN7C(=O)C2C1.Cc1cccc6n1.c17cncnc1.C56=O |
1926673 | O=C(c1ccccn1)N1CC2CN(c3cncnc3)C(=O)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN6C(=O)C2C1.c15ccccn1.c16cncnc1.O=C45 |
1926674 | COCC(=O)N1CC2CN(c3cncnc3)C(=O)C2C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN6C(=O)C2C1.c16cncnc1.C5C4=O.CO5 |
1926675 | CCS(=O)(=O)N1CC2CN(c3cncnc3)C(=O)C2C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN5C(=O)C2C1.c15cncnc1.CCS4(=O)=O |
1926676 | CN(C)C(=O)N1CC2CN(c3cncnc3)C(=O)C2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N15CC2CN6C(=O)C2C1.c16cncnc1.CN4C.C45=O |
1926677 | CCS(=O)(=O)N1CC2CN(c3cnn(C)c3)C(=O)C2C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N14CC2CN5C(=O)C2C1.c15cnn(C)c1.CCS4(=O)=O |
1926678 | CN(C)C(=O)N1CC2CN(c3cnn(C)c3)C(=O)C2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring1][#C] | N15CC2CN6C(=O)C2C1.c16cnn(C)c1.CN4C.C45=O |
1926679 | O=C(c1cnccn1)N1CC2CN(C(=O)c3ccco3)CC2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][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] | N14CC2CN5CC2C1.c16cnccn1.c17ccco1.O=C46.C57=O |
1926680 | O=C(c1ccsc1)N1CC2CN(C(=O)c3cnccn3)CC2C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][S] | N14CC2CN5CC2C1.c16cnccn1.c17ccsc1.O=C47.C56=O |
1926681 | O=S(=O)(C1CC1)N1CC2CN(c3ncccn3)CC2C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][=C] | N14CC2CN5CC2C1.O=S4(=O)C1CC1.c15ncccn1 |
1926682 | O=C(C1CCOCC1)N1CC2CN(c3ncccn3)CC2C1 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][=C] | N14CC2CN5CC2C1.C16CCOCC1.c15ncccn1.O=C46 |
1926683 | Cc1cccc(CN2C(=O)CC3C2CCN3C(=O)N2CCCC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | N16C(=O)CC2C1CCN24.Cc1cccc7n1.N15CCCC1.C45=O.C67 |
1926684 | O=C(c1ccco1)N1CC2CCCN(C(=O)c3ccncc3)C2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N14CC2CCCN5C2C1.c17ccncc1.c16ccco1.O=C46.C57=O |
1926685 | O=C1COC2CN(Cc3ccsc3)CC2N1CC1CC1 | [O][=C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][O][N][Ring1][#C][C][C][C][C][Ring1][Ring1] | O=C1COC2CN4CC2N15.c17ccsc1.C16CC1.C47.C56 |
1926686 | O=C1COC2CN(Cc3cccs3)CC2N1Cc1ccncc1 | [O][=C][C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][N][Ring1][#C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1COC2CN4CC2N15.c17ccncc1.c16cccs1.C46.C57 |
1926687 | O=C1COC2CN(Cc3ccccn3)CC2N1Cc1ccncc1 | [O][=C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][Ring1][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1COC2CN4CC2N15.c16ccccn1.c17ccncc1.C46.C57 |
1926688 | CC(C)N1CCOC2CN(S(=O)(=O)C3CC3)CC21 | [C][C][Branch1][C][C][N][C][C][O][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][Ring1][#C] | N14CCOC2CN5CC21.S5(=O)(=O)C1CC1.CC4C |
1926689 | CNC(=O)CN1CCOC2CN(C(=O)c3ccsc3)CC21 | [C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][N][Ring1][S] | N16CCOC2CN5CC21.c17ccsc1.C4(=O)C6.C57=O.CN4 |
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