ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1929719 | CC(C)N1C(=O)CC2C1CCN2C(=O)c1ccco1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | N15C(=O)CC2C1CCN23.c14ccco1.CC5C.C34=O |
1929720 | COCCN1C(=O)CC2C1CCN2C(=O)NCc1cccc(F)c1 | [C][O][C][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][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N17C(=O)CC2C1CCN23.c18cccc(F)c1.C5C7.C34=O.CO5.N46.C68 |
1929721 | COCCN1C(=O)CC2C1CCN2C(=O)c1ccco1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | N16C(=O)CC2C1CCN23.c15ccco1.C4C6.C35=O.CO4 |
1929722 | O=C1CC2C(CCN2C(=O)c2ccnnc2)N1CC1CC1 | [O][=C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][N][Ring1][S][C][C][C][C][Ring1][Ring1] | O=C1CC2C(CCN23)N15.c14ccnnc1.C34=O.C16CC1.C56 |
1929723 | Cc1cnc(N2CCC3C2CC(=O)N3CC2CC2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][Ring1] | N14CCC2C1CC(=O)N25.Cc1cnc4nc1.C16CC1.C56 |
1929724 | O=C1CC2C(CCN2C(=O)c2ccco2)N1Cc1cccnc1 | [O][=C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C1CC2C(CCN23)N15.c16cccnc1.c14ccco1.C34=O.C56 |
1929725 | Cc1nc(CN2CCC3C2CC(=O)N3c2cccnc2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][Branch1] | N14CCC2C1CC(=O)N26.Cc1nc5cs1.c16cccnc1.C45 |
1929726 | CN1C(=O)CC2C1CCN2C(=O)c1cscn1 | [C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1] | CN1C(=O)CC2C1CCN23.c14cscn1.C34=O |
1929727 | CN(C)C(=O)CN1C(=O)CC2C1CCN2C(=O)c1cscn1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1] | N16C(=O)CC2C1CCN24.c15cscn1.C3(=O)C6.CN3C.C45=O |
1929728 | O=C(c1ccsc1)N1CC2CCN(C(=O)c3cccc(F)c3)C2C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C][C][Ring1][P] | N14CC2CCN5C2C1.c17cccc(F)c1.c16ccsc1.O=C46.C57=O |
1929729 | O=C(C1CCC1)N1CC2CCN(c3cccnc3)CC2C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#C] | N14CC2CCN5CC2C1.c15cccnc1.C16CCC1.O=C46 |
1929730 | O=C(C1CCCC1)N1CC2CCN(c3cccnc3)CC2C1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#C] | N14CC2CCN5CC2C1.c15cccnc1.C16CCCC1.O=C46 |
1929731 | O=C(c1ccco1)N1CC2CCN(c3ncccn3)CC2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#C] | N14CC2CCN5CC2C1.c15ncccn1.c16ccco1.O=C46 |
1929732 | CN(C)S(=O)(=O)N1CCC2CN(c3nncs3)CC2C1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][#Branch2][C][Ring1][=C] | CN(C)S(=O)(=O)N1CCC2CN4CC2C1.c14nncs1 |
1929734 | C=CCN1C(=O)COC2CN(C(=O)c3cscn3)CC21 | [C][=C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N][Ring1][P] | N16C(=O)COC2CN4CC21.c15cscn1.C=CC6.C45=O |
1929736 | C=CCN1C(=O)COC2CN(C(=O)CCc3ccccc3)CC21 | [C][=C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][Ring2][Ring1][Ring2] | N15C(=O)COC2CN4CC21.c16ccccc1.C4(=O)CC6.C=CC5 |
1929737 | Cn1cnc(S(=O)(=O)N2CC3OCC(=O)N(CC4CC4)C3C2)c1 | [C][N][C][=N][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][O][C][Ring1][=C][=C][Ring2][Ring1][=Branch1] | N15CC2OCC(=O)N6C2C1.Cn1cnc(S5(=O)=O)c1.C17CC1.C67 |
1929738 | Cc1cc(C(=O)N2CC3OCC(=O)N(CC4CC4)C3C2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][O][C][Ring1][=C][=N][O][Ring2][Ring1][Branch1] | N15CC2OCC(=O)N7C2C1.Cc1cc6no1.C56=O.C18CC1.C78 |
1929739 | Cc1ccc(CN2CC3OCC(=O)N(Cc4ccncc4)C3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][C][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P][S][Ring2][Ring1][#Branch1] | N15CC2OCC(=O)N6C2C1.Cc1ccc7s1.c18ccncc1.C57.C68 |
1929740 | O=C(C1CCOCC1)N1CC2OCC(=O)N(Cc3ccncc3)C2C1 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P] | N14CC2OCC(=O)N6C2C1.C15CCOCC1.c17ccncc1.O=C45.C67 |
1929743 | CN1CCOC2CN(C(=O)c3ccsc3)CC21 | [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] | CN1CCOC2CN4CC21.c15ccsc1.C45=O |
1929744 | CC(C)N1CCOC2CN(C(=O)c3ccsc3)CC21 | [C][C][Branch1][C][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] | N15CCOC2CN4CC21.c16ccsc1.CC5C.C46=O |
1929745 | COCCN1CCOC2CN(C(=O)c3ccsc3)CC21 | [C][O][C][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] | N16CCOC2CN4CC21.c17ccsc1.C5C6.C47=O.CO5 |
1929746 | O=C(Cc1ccsc1)N1CC2OCCN(CC3CC3)C2C1 | [O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Ring1][=N] | N14CC2OCCN5C2C1.c17ccsc1.O=C4C7.C16CC1.C56 |
1929747 | O=C(c1cccs1)N1CC2OCCN(CC3CC3)C2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Ring1][=N] | N14CC2OCCN5C2C1.c16cccs1.O=C46.C17CC1.C57 |
1929748 | O=C(c1cnccn1)N1CC2OCCN(CC3CCCO3)C2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cnccn1.C17CCCO1.O=C46.C57 |
1929749 | O=C(c1cccnc1)N1CC2OCCN(CC3CCCO3)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cccnc1.C17CCCO1.O=C46.C57 |
1929750 | O=C(CC1CCCC1)N1CC2OCCN(CC3CCCO3)C2C1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.C17CCCC1.C16CCCO1.O=C4C7.C56 |
1929751 | COCCN1CC2OCCN(Cc3c(C)noc3C)C2C1 | [C][O][C][C][N][C][C][O][C][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring1][=C][C][Ring1][P] | N15CC2OCCN6C2C1.c17c(C)noc1C.C4C5.CO4.C67 |
1929752 | O=C(c1ccncc1)N1CC2OCCN(c3cccnc3)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16ccncc1.c15cccnc1.O=C46 |
1929753 | O=C(Cc1cccs1)N1CC2OCCN(c3ncccn3)C2C1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][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.c15ncccn1.c16cccs1.O=C4C6 |
1929754 | c1cnc(N2CCOC3CN(Cc4csnn4)CC32)cn1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][=C][S][N][=N][Ring1][Branch1][C][C][Ring1][O][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N16CCOC2CN5CC21.c1cnc6cn1.c17csnn1.C57 |
1929755 | CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C(=O)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C] | C3(=O)C1=C(N)N5C(=O)C1.c15ccc(Cl)cc1.CC4.O34 |
1929757 | O=C(NCCc1ccccc1)C1COC(=O)N1Cc1ccccc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14COC(=O)N15.c16ccccc1.c17ccccc1.O=C24.C3C6.N23.C57 |
1929758 | O=C(NCCc1ccccc1)C1COC(=O)N1Cc1cccc(O)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C14COC(=O)N15.c17cccc(O)c1.c16ccccc1.O=C24.C3C6.N23.C57 |
1929759 | CCS(=O)(=O)c1nsc(NC(=O)CCCc2ccccc2)n1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][S][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | CCS(=O)(=O)c1nsc4n1.C3(=O)CCC5.c15ccccc1.N34 |
1929760 | O=C(c1ccc(F)cc1)N1CC2OCCN(c3cnccn3)C2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16ccc(F)cc1.c15cnccn1.O=C46 |
1929761 | Cc1ccccc1C(=O)N1CC2OCCN(c3cnccn3)C2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.Cc1ccccc16.c15cnccn1.C46=O |
1929762 | O=C(c1cccc(O)c1)N1CC2OCCN(c3cnccn3)C2C1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cccc(O)c1.c15cnccn1.O=C46 |
1929763 | Cc1noc(C)c1C(=O)N1CC2OCCN(C)C2C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][#Branch2] | N13CC2OCCN(C)C2C1.Cc1noc(C)c14.C34=O |
1929765 | CN(C)S(=O)(=O)N1CCOC2CN(c3cccc(F)c3)CC21 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][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] | CN(C)S(=O)(=O)N1CCOC2CN4CC21.c14cccc(F)c1 |
1929766 | Cc1ccc(CN2CCOC3CN(CCc4ccccc4)CC32)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][P][O][Ring2][Ring1][#Branch1] | N15CCOC2CN6CC21.Cc1ccc7o1.c18ccccc1.C6C8.C57 |
1929767 | Cc1noc(C)c1CN1CCOC2CN(C(C)C)CC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][Branch2][Ring1][N] | N13CCOC2CN4CC21.Cc1noc(C)c15.C4(C)C.C35 |
1929768 | Cc1noc(C)c1CN1CCOC2CN(C(=O)CC3CC3)CC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][Ring1][O][Ring1][#C] | N15CCOC2CN4CC21.Cc1noc(C)c17.C4(=O)C6.C16CC1.C57 |
1929769 | Cc1cnc(C(=O)N2CC3OCCN(c4ncc(F)cn4)C3C2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][=N][C][Ring1][S][C][=N][Ring2][Ring1][Branch2] | N15CC2OCCN6C2C1.Cc1cnc7cn1.c16ncc(F)cn1.C57=O |
1929770 | CN(C)c1nccc(N2CCOC3CN(Cc4ccsc4)CC32)n1 | [C][N][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][O][Ring1][#C][=N][Ring2][Ring1][Branch1] | N17CCOC2CN5CC21.c16nccc7n1.c18ccsc1.CN6C.C58 |
1929771 | c1cnc(N2CC3OCCN(c4cnccn4)C3C2)nc1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | N15CC2OCCN6C2C1.c1cnc5nc1.c16cnccn1 |
1929772 | O=C(c1cccnc1)N1CC2OCCN(c3cnccn3)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cccnc1.c15cnccn1.O=C46 |
1929773 | Cc1ccc(C(=O)N2CC3OCCN(c4cnccn4)C3C2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | N15CC2OCCN6C2C1.Cc1ccc7cn1.c16cnccn1.C57=O |
1929774 | O=C(CC1C2CN(c3ncccn3)CC12)Nc1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][Ring1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C17C2CN5CC12.c15ncccn1.c16cccnc1.O=C4C7.N46 |
1929775 | O=C(NC12CC1CN(C(=O)c1ccco1)C2)c1cccc(F)c1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][Ring1][Ring1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C125CC1CN4C2.c17cccc(F)c1.c16ccco1.O=C37.C46=O.N35 |
1929776 | O=C(NCC1CC1)C1CC2CN(C(=O)c3cccnc3)CC2C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][S] | C17CC2CN5CC2C1.c18cccnc1.O=C47.C19CC1.C58=O.N46.C69 |
1929777 | CCN1CCC2CN(C(=O)c3ccco3)CC2C1=O | [C][C][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][C][Ring1][S][=O] | N16CCC2CN4CC2C1=O.c15ccco1.C45=O.CC6 |
1929778 | CC(C)C(=O)N1CCC2CN(C(=O)c3ccco3)CCC21 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][=N][Ring1][S] | N14CCC2CN5CCC21.CC(C)C4=O.c16ccco1.C56=O |
1929779 | O=C(CO)N1CCC2C(CCN2C(=O)c2cccc(F)c2)C1 | [O][=C][Branch1][Ring1][C][O][N][C][C][C][C][Branch2][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | N13CCC2C(CCN24)C1.c15cccc(F)c1.O=C3CO.C45=O |
1929780 | COCCN1CCOC2CCN(C(=O)c3cccs3)CCC21 | [C][O][C][C][N][C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N16CCOC2CCN4CCC21.c17cccs1.C5C6.C47=O.CO5 |
1929781 | O=C(c1ccco1)N1CCC2OCCN(CC3CC3)C2CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][Ring1][#C] | N14CCC2OCCN5C2CC1.c16ccco1.O=C46.C17CC1.C57 |
1929782 | Cn1ccnc1CN1CCC2OCCN(Cc3ccncc3)C2CC1 | [C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][C] | N14CCC2OCCN5C2CC1.Cn1ccnc16.c17ccncc1.C46.C57 |
1929783 | O=C(c1c[nH]cn1)N1CCC2OCCN(Cc3ccncc3)C2CC1 | [O][=C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][N][C][C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][C] | N14CCC2OCCN5C2CC1.c17ccncc1.c16c[nH]cn1.O=C46.C57 |
1929785 | CS(=O)(=O)N1CCOC2CCN(C(=O)c3cccs3)CCC21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N15CCOC2CCN4CCC21.c16cccs1.CS5(=O)=O.C46=O |
1929786 | O=S(=O)(C1CC1)N1CCOC2CCN(c3cccnc3)CCC21 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2CCN5CCC21.O=S4(=O)C1CC1.c15cccnc1 |
1929787 | CC(=O)N1CCOC2CCN(C(=O)c3cccs3)CCC21 | [C][C][=Branch1][C][=O][N][C][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N14CCOC2CCN5CCC21.c16cccs1.CC4=O.C56=O |
1929788 | COC1CC2CN(C(=O)c3cnc(C)cn3)CCN2C1 | [C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C15CC2CN4CCN2C1.c16cnc(C)cn1.C46=O.CO5 |
1929789 | O=C(c1ccccc1)N1CCOC2CN(c3cnccn3)CC2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][S] | N14CCOC2CN5CC2C1.c16ccccc1.c15cnccn1.O=C46 |
1929790 | Cc1ccc(N2CCOC3CN(C(=O)c4ccno4)CCC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][C][Ring1][=N][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCOC2CN5CCC2C1.Cc1ccc6nn1.c17ccno1.C57=O |
1929791 | Cc1ccc(N2CCOC3CN(C(=O)CC4CC4)CCC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][O][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][N][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N16CCOC2CN5CCC2C1.Cc1ccc6nn1.C5(=O)C7.C17CC1 |
1929792 | Cc1ccc(N2CCOC3CN(C(=O)C4CCCO4)CCC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][C][Ring1][=N][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCOC2CN5CCC2C1.Cc1ccc6nn1.C17CCCO1.C57=O |
1929793 | CS(=O)(=O)N1CCOC2CN(C(=O)c3cscn3)CCC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][C][Ring1][=N][C][Ring2][Ring1][C] | N15CCOC2CN4CCC2C1.c16cscn1.CS5(=O)=O.C46=O |
1929794 | CC(=O)N1CCOC2CN(c3ncccn3)CCC2C1 | [C][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][N][C][Ring1][P] | N14CCOC2CN5CCC2C1.c15ncccn1.CC4=O |
1929795 | CCc1cnc(N2CCC3CN(C(C)=O)CCOC3C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][O][C][Ring1][#Branch2][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2] | N15CCC2CN4CCOC2C1.c16cnc5nc1.C4(C)=O.CC6 |
1929797 | O=C(CO)N1CCC2CN(C(=O)c3ccsc3)CCOC2C1 | [O][=C][Branch1][Ring1][C][O][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][O][C][Ring1][=C][C][Ring2][Ring1][C] | N14CCC2CN5CCOC2C1.c16ccsc1.O=C4CO.C56=O |
1929798 | CS(=O)(=O)N1CCC2CN(C(=O)c3ccsc3)CCOC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][O][C][Ring1][=C][C][Ring2][Ring1][C] | N15CCC2CN4CCOC2C1.c16ccsc1.CS5(=O)=O.C46=O |
1929799 | CCOCC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C16CCC2C1OCCN25.c17cnn(C)c1.CC3.O34.C46.C57 |
1929800 | C=CCOCC1CCC2C1OCCN2C(=O)c1ccc[nH]1 | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1] | C17CCC2C1OCCN23.c16ccc[nH]1.C=CC4.C36=O.O45.C57 |
1929801 | c1cnc(OCC2CCC3C2OCCN3Cc2ccncc2)nc1 | [C][=C][N][=C][Branch2][Ring1][=Branch2][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2] | C17CCC2C1OCCN26.c1cnc5nc1.c18ccncc1.O45.C47.C68 |
1929802 | O=C(c1ccno1)N1CCOC2C(COc3ncccn3)CCC21 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][O][C][C][Branch1][O][C][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C8CCC21.c16ncccn1.c17ccno1.O=C47.C58.O56 |
1929803 | CS(=O)(=O)N1CCOC2C(COCc3cccnc3)CCC21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N16CCOC2C7CCC21.c18cccnc1.CS6(=O)=O.C47.O45.C58 |
1929804 | O=C(C1CCCO1)N1CCOC2C(COCc3cccnc3)CCC21 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][O][C][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N14CCOC2C8CCC21.c19cccnc1.C17CCCO1.O=C47.C58.O56.C69 |
1929806 | O=S(=O)(C1CC1)N1CCOC2C(CNc3ncccn3)CCC21 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N15CCOC2C7CCC21.O=S5(=O)C1CC1.c16ncccn1.C47.N46 |
1929807 | O=C(c1nc[nH]n1)N1CCOC2C(CNc3cccnc3)CCC21 | [O][=C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][O][C][C][Branch1][O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C8CCC21.c16cccnc1.c17nc[nH]n1.O=C47.C58.N56 |
1929808 | c1cnc(N2CCOC3C(Cn4cccc4)CCC32)nc1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][C][C][C][Ring1][O][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | N15CCOC2C7CCC21.c1cnc5nc1.n16cccc1.C67 |
1929809 | O=C(NCC1CCC2C1OCCN2c1ncccn1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | C17CCC2C1OCCN25.c15ncccn1.c16ccco1.O=C36.N34.C47 |
1929810 | O=C(NCC1CCC2C1OCCN2Cc1ccco1)c1cnccn1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | C18CCC2C1OCCN25.c16cnccn1.c17ccco1.O=C36.N34.C48.C57 |
1929811 | COCC1CC2OCCN(Cc3cnn(C)c3)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][Ring1][S] | C16CC2OCCN5C2C1.c17cnn(C)c1.CO4.C46.C57 |
1929812 | COCC1CC2OCCN(C(=O)c3sccc3C)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][Ring1][=C][C][Ring1][P] | C17CC2OCCN4C2C1.c16sccc1C.C46=O.CO5.C57 |
1929813 | C=CCOCC1CC2OCCN(Cc3ccc(F)cc3)C2C1 | [C][=C][C][O][C][C][C][C][O][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][C][Ring1][P] | C17CC2OCCN6C2C1.c18ccc(F)cc1.C=CC4.O45.C57.C68 |
1929814 | C=CCOCC1CC2OCCN(Cc3ccc(OC)cc3)C2C1 | [C][=C][C][O][C][C][C][C][O][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][C] | C18CC2OCCN7C2C1.c19ccc6cc1.C=CC4.O45.C58.C79.O6C |
1929815 | C=CCOCC1CC2OCCN(C(=O)c3cccn3C)C2C1 | [C][=C][C][O][C][C][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][=C][C][Ring1][P] | C18CC2OCCN4C2C1.c17cccn1C.C=CC5.C47=O.O56.C68 |
1929816 | c1coc(CN2CCOC3CC(COCC4CC4)CC32)c1 | [C][=C][O][C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][C][Ring1][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | N17CCOC2CC9CC21.c1coc8c1.C1%10CC1.C78.C59.O56.C6%10 |
1929817 | c1ccc(OCC2CC3OCCN(Cc4ccoc4)C3C2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N][C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | C18CC2OCCN7C2C1.c1ccc6nc1.c19ccoc1.O56.C58.C79 |
1929818 | Cc1occc1C(=O)N1CCOC2CC(COc3ccccn3)CC21 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][Ring1][P] | N14CCOC2CC8CC21.Cc1occc17.c16ccccn1.C47=O.C58.O56 |
1929821 | CNC(=O)C12CCCN(c3ncccn3)C1CN(CCOC)C2 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][N][Branch1][Branch1][C][C][O][C][C][Ring2][Ring1][Ring1] | C128CCCN7C1CN6C2.c17ncccn1.C48=O.C6C5.CN4.O5C |
1929822 | CNC(=O)C12CCCN(c3ncccn3)C1CN(C(=O)NC(C)C)C2 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][N][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1] | C129CCCN8C1CN5C2.c18ncccn1.C49=O.C56=O.C7(C)C.CN4.N67 |
1929823 | COCCN1CC2N(c3ncccn3)CCCC2(C(=O)N(C)C)C1 | [C][O][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][Ring2] | N16CC2N7CCCC28C1.c17ncccn1.C5C6.C48=O.N4(C)C.CO5 |
1929824 | Cc1cccc(C(=O)N2CCOC3CC(C(=O)N4CCCC4)CC32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][O][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][N][Ring1][S][=N][Ring2][Ring1][Branch2] | N15CCOC2CC8CC21.Cc1cccc7n1.N16CCCC1.C57=O.C68=O |
1929825 | Cn1cc(CN2CC3CC2CN(Cc2nccs2)C3)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][C][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][N][C][=N][Ring2][Ring1][Ring2] | N14CC2CC1CN5C2.Cn1cc7cn1.c16nccs1.C47.C56 |
1929826 | O=C(c1ccco1)N1CC2CC(C1)N(S(=O)(=O)C1CC1)C2 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][N] | N13CC2CC(C1)N4C2.S4(=O)(=O)C1CC1.c15ccco1.O=C35 |
1929828 | O=C(c1ccco1)N1C2CCC1CN(c1ncccn1)C2 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N] | N13C2CCC1CN4C2.c14ncccn1.c15ccco1.O=C35 |
1929829 | CS(=O)(=O)N1C2CCC1CN(c1ncccn1)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N] | N13C2CCC1CN4C2.c14ncccn1.CS3(=O)=O |
1929830 | Cc1cccc(C(=O)N2CC3CCC(C2)N3S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | N14CC2CCC(C1)N25.Cc1cccc6c1.S5(C)(=O)=O.C46=O |
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