ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
48695 | Cn1cc(-c2ccc(C(=O)NCC3CCCO3)cn2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][Ring1][#C][C][=N][Ring2][Ring1][Ring2] | c18ccc6cn1.Cn1cc8cn1.C17CCCO1.C46=O.N45.C57 |
48696 | Cn1cc(-c2ccc(C(=O)NCCc3ccccc3)cn2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | c18ccc6cn1.Cn1cc8cn1.c17ccccc1.C46=O.C5C7.N45 |
48697 | CC1CCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | CC1CCN4CC1.c15ccc6nc1.c16cnn(C)c1.C45=O |
48698 | Cn1cc(-c2ccc(C(=O)N3CCc4ccccc4C3)cn2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=N][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1] | N15CCc2ccccc2C1.c17ccc6cn1.Cn1cc7cn1.C56=O |
48699 | Cn1c(C(=O)NCc2ccccn2)cc2cc(S(C)(=O)=O)ccc21 | [C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][#Branch1] | Cn1c5cc2cc(S(C)(=O)=O)ccc21.c16ccccn1.C35=O.N34.C46 |
48700 | CC(C)(C)C(=O)Nc1ccc(-n2cc(-c3cnccn3)cn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P] | c15ccc6cc1.CC(C)(C)C4=O.n16cc7cn1.c17cnccn1.N45 |
48701 | O=C(Nc1ccc(-n2cc(-c3cnccn3)cn2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | c15ccc7cc1.n17cc8cn1.c18cnccn1.c16ccco1.O=C46.N45 |
48702 | CCOC(=O)N1CCN(c2ncc(-c3ccc(OC)cc3)cn2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][Ring1][=C][C][C][Ring2][Ring1][Ring2] | N15CCN8CC1.c18ncc9cn1.c19ccc7cc1.C45=O.CC6.O46.O7C |
48703 | Nc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] | c16c[nH]c2ccccc12.Nc1ccccc15.N14CCC6CC1.C45=O |
48704 | Nc1ncc(-c2ccncc2)c(-c2ccc(C(F)(F)F)nc2)n1 | [N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | Nc1ncc5c4n1.c14ccc3nc1.c15ccncc1.C3(F)(F)F |
48705 | COc1ccc(-c2cnc(=O)n(Cc3ccccc3)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17cnc(=O)n5c1.c14ccc7cc1.c16ccccc1.CO4.C56 |
48707 | FC(F)(F)c1ccc(-c2n[nH]cc2-c2cnccn2)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][S][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][P] | c13ccc4cn1.c14n[nH]cc15.c15cnccn1.FC3(F)F |
48708 | FC(F)(F)c1ccc(-c2n[nH]cc2-c2cnc3ccccc3n2)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=N][Ring2][Ring1][Branch1] | c16cnc2ccccc2n1.c14ccc5cn1.c15n[nH]cc16.FC4(F)F |
48709 | O=c1cc(-c2ccncc2)c2ccc(OCc3ccccn3)cc2o1 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Branch2] | O=c1cc7c2ccc5cc2o1.c17ccncc1.c16ccccn1.O45.C46 |
48710 | O=c1cc(-c2ccccn2)c2ccc(OCc3ccccn3)cc2o1 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Branch2] | O=c1cc7c2ccc5cc2o1.c17ccccn1.c16ccccn1.O45.C46 |
48712 | CC(=O)Nc1ccc(S(=O)(=O)N2CCOC3CCCCC32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.N15CCOC2CCCCC21.CC4=O.N46 |
48713 | COc1cc(OC)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][=N][Ring2][Ring1][Ring2] | c14cc5nc6n1.C16CCN3CC1.C3(=O)C(C)(C)C.CO4.O5C |
48714 | COc1cc(OC)nc(C2CCN(C(=O)c3cccs3)CC2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Branch1] | c15cc6nc8n1.C18CCN4CC1.c17cccs1.C47=O.CO5.O6C |
48715 | CCNC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][C][Ring1][S] | c18nc5cc6n1.N14CCC8CC1.C34=O.CC7.N37.O5C.O6C |
48716 | CCOC(=O)C1CCN(c2ccc(S(C)(=O)=O)cc2N)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][C][C][Ring1][P] | c15ccc(S(C)(=O)=O)cc1N.C16CCN5CC1.C36=O.CC4.O34 |
48717 | CC(C)(C)C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P] | N14CCC5CC1.CC(C)(C)C4=O.c15nc6no1.c16ccncc1 |
48718 | CCNC(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P] | N15CCC7CC1.c17nc8no1.c18ccncc1.C45=O.CC6.N46 |
48719 | O=C(c1cccs1)N1CCC(c2nc(-c3cccs3)no2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC7CC1.c17nc6no1.c15cccs1.c16cccs1.O=C45 |
48721 | Cc1cc(C)nc(N2CCC(C(=O)NCc3ccncc3)CC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)nc6n1.N16CCC7CC1.c18ccncc1.C47=O.N45.C58 |
48722 | Cc1cc(C)nc(N2CCC(C(=O)NC(C)c3ccccc3)CC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=N][Ring2][Ring1][Branch2] | Cc1cc(C)nc6n1.N16CCC7CC1.c18ccccc1.C47=O.C58C.N45 |
48723 | Cn1nc(N)c2cc(S(C)(=O)=O)c(-c3ccccc3)nc21 | [C][N][N][=C][Branch1][C][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][Ring2][Ring1][Ring2] | Cn1nc(N)c2cc(S(C)(=O)=O)c4nc21.c14ccccc1 |
48724 | Cn1nc(N)c2cc(S(C)(=O)=O)c(-c3ccc(Cl)cc3)nc21 | [C][N][N][=C][Branch1][C][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][P][Ring2][Ring1][Branch1] | Cn1nc(N)c2cc(S(C)(=O)=O)c4nc21.c14ccc(Cl)cc1 |
48725 | CC(C)(C)C(=O)N1CCC(c2nnc(-c3ccccc3)o2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring1][P] | N14CCC5CC1.CC(C)(C)C4=O.c15nnc6o1.c16ccccc1 |
48726 | CN(C)C(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C][C][C][Ring2][Ring1][Ring2] | c18ccc2c(c1)OCO2.N16CCC7CC1.c17nc8no1.CN5C.C56=O |
48727 | CCNC(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][C][Ring2][Ring1][C] | N15CCC7CC1.c18ccc(F)cc1.c17nnc8o1.C45=O.CC6.N46 |
48728 | COc1cc(OC)nc(C(=O)NCc2cccc(C(F)(F)F)c2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | c14cc5nc7n1.c18cccc9c1.C9(F)(F)F.C37=O.CO4.O5C.N36.C68 |
48729 | COc1cc(OC)nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][#Branch1] | c15cc6nc8n1.N14CCN7CC1.c17ccc(F)cc1.C48=O.CO5.O6C |
48731 | Nc1ccccc1C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S] | N14CCC(N2C(=O)Cc3ccccc32)CC1.Nc1ccccc15.C45=O |
48732 | CC(C)(C)C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S] | N14CCC(N2C(=O)Cc3ccccc32)CC1.CC(C)(C)C4=O |
48733 | O=C(c1ccco1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S] | N14CCC(N2C(=O)Cc3ccccc32)CC1.c15ccco1.O=C45 |
48734 | CCNC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S] | N15CCC(N2C(=O)Cc3ccccc32)CC1.C45=O.CC6.N46 |
48735 | O=C(CCc1nc(-c2cnccn2)no1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc7no1.c17cnccn1.c16ccccc1.O=C3CC5.C4C6.N34 |
48736 | O=C(c1ccc(Cl)cc1)N(Cc1ccc2c(c1)CCO2)C1CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c17ccc2c(c1)CCO2.c16ccc(Cl)cc1.O=C36.N345.C15CC1.C47 |
48737 | O=C(CCc1ccc2c(c1)CCO2)Nc1cccnc1 | [O][=C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc2c(c1)CCO2.c14cccnc1.O=C3CC5.N34 |
48738 | COc1cc(OC)nc(N2CCC(C(=O)N(C)C)CC2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] | c14cc5nc6n1.N16CCC7CC1.C37=O.N3(C)C.CO4.O5C |
48739 | CC(C)(NC(=O)c1ccc(F)cc1Cl)c1ccncc1 | [C][C][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(F)cc1Cl.c15ccncc1.CC35C.C24=O.N23 |
48740 | CC(C)(NC(=O)c1cccc(C(F)(F)F)c1)c1ccncc1 | [C][C][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cccc6c1.c15ccncc1.CC35C.C6(F)(F)F.C24=O.N23 |
48741 | COc1cccc(OC)c1C(=O)NC(C)(C)c1ccncc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13cccc4c16.c17ccncc1.C57(C)C.C26=O.CO3.O4C.N25 |
48742 | CC(C)Oc1ccc(C(=O)NC(C)(C)c2ccncc2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18ccncc1.C68(C)C.CC4C.C37=O.O45.N36 |
48743 | CC(C)(NS(=O)(=O)c1ccccc1Cl)c1ccncc1 | [C][C][Branch1][C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1Cl.c14ccncc1.CC24C.N23 |
48744 | CC(C)(NS(=O)(=O)c1ccc(N)cc1)c1ccncc1 | [C][C][Branch1][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccc(N)cc1.c14ccncc1.CC24C.N23 |
48745 | CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)c2ccncc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.c17ccncc1.C47(C)C.CC3=O.N36.N45 |
48746 | CC(C)(NC(=O)Nc1ccccc1Cl)c1ccncc1 | [C][C][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccccc1Cl.c16ccncc1.CC46C.C23=O.N24.N35 |
48747 | Cc1ccc(S(=O)(=O)NC(=O)NC(C)(C)c2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S6(=O)=O)cc1.c17ccncc1.C57(C)C.C34=O.N36.N45 |
48748 | CNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c14cccn5c1=O.c16ccc(Cl)cc1.C34=O.CN3.C56 |
48749 | CN(C)C(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c14cccn5c1=O.c16ccc(Cl)cc1.CN3C.C34=O.C56 |
48750 | CC(C)(C)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c15cccn6c1=O.c17ccc(Cl)cc1.CC4(C)C.C35=O.N34.C67 |
48752 | COC(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] | n15cc7ccc1=O.c14cccc6c1.C7(F)(F)F.C34=O.CO3.C56 |
48753 | NC(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] | n14cc6ccc1=O.c13cccc5c1.C6(F)(F)F.NC3=O.C45 |
48754 | N#Cc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | N#Cc1ccc4cc1.n13cc5ccc1=O.C5(F)(F)F.C34 |
48755 | NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n14cc6ccc1=O.c13ccc5cc1.C6(F)(F)F.NC3=O.C45 |
48756 | COC(=O)c1ccccc1Sc1nc(C)cc(C)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c14nc(C)cc(C)n1.c13ccccc15.C23=O.CO2.S45 |
48757 | COC(=O)c1cccc(Sc2nc(C)cc(C)n2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring1][#C] | c15nc(C)cc(C)n1.c14cccc6c1.C34=O.CO3.S56 |
48758 | Cc1cc(C)nc(Sc2ccc(C(=O)NC(C)(C)C)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc6n1.c17ccc5cc1.C4(C)(C)C.C35=O.S67.N34 |
48759 | COC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c13nc4nc5n1.c17ccccc16.C27=O.CO2.O36.O4C.O5C |
48760 | COC(=O)c1c(Cl)cccc1Oc1nc(OC)nc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c17c6cccc1Cl.c13nc4nc5n1.C27=O.CO2.O36.O4C.O5C |
48761 | COC(=O)c1cccc(Oc2nc(OC)nc(OC)n2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][=C][Ring1][P] | c14nc5nc6n1.c18cccc7c1.C38=O.CO3.O47.O5C.O6C |
48762 | COC(=O)c1cc(Cl)ccc1Oc1nc(OC)nc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c17cc(Cl)ccc16.c13nc4nc5n1.C27=O.CO2.O36.O4C.O5C |
48763 | COC(=O)c1ccccc1Sc1nc(OC)nc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c16nc3nc4n1.c15ccccc17.C25=O.CO2.S67.O3C.O4C |
48764 | COC(=O)c1ccc(Sc2nc(OC)nc(OC)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][=C][Ring1][P] | c17nc4nc5n1.c16ccc8cc1.C36=O.CO3.S78.O4C.O5C |
48765 | COc1nc(OC)nc(Sc2ccc(N)cc2)n1 | [C][O][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][S] | c13nc4nc5n1.c16ccc(N)cc1.CO3.O4C.S56 |
48767 | Cc1nc(C(F)(F)F)c(C(=O)NCc2ccc(Cl)cc2)s1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring2] | Cc1nc6c5s1.c17ccc(Cl)cc1.C6(F)(F)F.C35=O.N34.C47 |
48768 | Cc1nc(C(F)(F)F)c(C(=O)NCc2ccccn2)s1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | Cc1nc6c5s1.c17ccccn1.C6(F)(F)F.C35=O.N34.C47 |
48769 | Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccn2)s1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][C] | Cc1nc6c5s1.c14ccccn1.C6(F)(F)F.C35=O.N34 |
48770 | CCOC(=O)c1cc(-c2ccc(F)cc2)n[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][C][Ring1][=N][=O] | c15cc6n[nH]c1=O.c16ccc(F)cc1.C35=O.CC4.O34 |
48772 | NC(=O)Cc1ccc(OC(=O)c2cccnc2C(F)(F)F)cc1 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] | c17ccc4cc1.c15cccnc16.NC(=O)C7.C6(F)(F)F.C35=O.O34 |
48773 | CCN(C)C(=O)c1ccc(NC(=O)C2CCCO2)cc1Cl | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl] | c18ccc6cc1Cl.C17CCCO1.N35C.C38=O.C47=O.CC5.N46 |
48774 | C#CCN(C)C(=O)c1ccc(NC(=O)C2CCCO2)cc1Cl | [C][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl] | c18ccc6cc1Cl.C17CCCO1.C#CC5.N35C.C38=O.C47=O.N46 |
48775 | CN(CC1CC1)C(=O)c1ccc(NC(=O)C2CCCO2)cc1Cl | [C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl] | c18ccc6cc1Cl.C17CCCO1.CN35.C19CC1.C38=O.C47=O.C59.N46 |
48776 | Cn1cc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)cn1 | [C][N][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | c18ccc6cn1.c17ccc(Cl)cc1.Cn1cc8cn1.C46=O.N45.C57 |
48777 | CCOC(=O)N1CCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | N15CCN6CC1.c18ccc9nc1.c19cnn(C)c1.C45=O.C68=O.CC7.O47 |
48778 | O=C(c1ccc(-c2cnn(-c3ccccc3)c2)nc1)N1CCCC1 | [O][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring1][P][N][C][C][C][C][Ring1][Branch1] | c15ccc7nc1.c17cnn6c1.c16ccccc1.N14CCCC1.O=C45 |
48779 | O=C(NCc1ccco1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring1][P] | c16ccc9nc1.c19cnn8c1.c18ccccc1.c17ccco1.O=C46.N45.C57 |
48780 | O=C(NC1CCCCC1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring1][P] | c16ccc8nc1.C15CCCCC1.c18cnn7c1.c17ccccc1.O=C46.N45 |
48781 | O=C(NC1CC1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring1][P] | c16ccc8nc1.c18cnn7c1.c17ccccc1.O=C46.C15CC1.N45 |
48782 | CN(Cc1ccccc1)C(=O)c1ccc(-c2cn[nH]c2)nc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O] | c15ccc7nc1.c16ccccc1.c17cn[nH]c1.CN34.C35=O.C46 |
48783 | O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc5nc1.N13CCOCC1.c15cn[nH]c1.O=C34 |
48784 | O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc5nc1.N13CCCCC1.c15cn[nH]c1.O=C34 |
48785 | O=C(NCc1ccncc1)c1ccc(-c2cn[nH]c2)nc1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O] | c15ccc7nc1.c16ccncc1.c17cn[nH]c1.O=C35.N34.C46 |
48786 | O=C(NCc1ccco1)c1ccc(-c2cn[nH]c2)nc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O] | c15ccc7nc1.c16ccco1.c17cn[nH]c1.O=C35.N34.C46 |
48787 | O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cn[nH]c2)nc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O] | c15ccc4cc1.c16ccc7nc1.O4C(F)(F)F.c17cn[nH]c1.O=C36.N35 |
48788 | O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCc2ccccc2C1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][=C][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc5nc1.c15cn[nH]c1.O=C34 |
48789 | O=C(NC1CC1)c1ccc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][Ring2][Ring1][C] | c16ccc8nc1.c17ccc(Cl)cc1.c18cnn7c1.O=C46.C15CC1.N45 |
48790 | COc1ccc(-n2cc(-c3ccc(C(=O)NC4CC4)cn3)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][Ring1][N][C][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16ccc9cc1.c1%10ccc8cn1.n19cc%10cn1.C58=O.C17CC1.CO6.N57 |
48791 | O=C(NC1CC1)c1ccc(-c2cnn(-c3ccc(F)cc3F)c2)nc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Ring1][=N][N][=C][Ring2][Ring1][Ring1] | c17ccc(F)cc1F.c16ccc8nc1.c18cnn7c1.O=C46.C15CC1.N45 |
48793 | Cc1ccc(-n2cc(-c3ccc(C(=O)N4CCCCC4)cn3)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][=C][C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc7cc1.c18ccc6cn1.n17cc8cn1.N15CCCCC1.C56=O |
48794 | Cc1ccc(-n2cc(-c3ccc(C(=O)N4CCCC4)cn3)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][=N][C][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.c18ccc6cn1.n17cc8cn1.N15CCCC1.C56=O |
48795 | Cc1ccc(-n2cc(-c3ccc(C(=O)NC4CC4)cn3)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][Ring1][N][C][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.c19ccc7cn1.n18cc9cn1.C57=O.C16CC1.N56 |
48797 | CC(C)(C)n1cc(-c2ccc(C(=O)N3CCOCC3)cn2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][=C][C][=N][Ring2][Ring1][Ring1] | c17ccc5cn1.n16cc7cn1.N14CCOCC1.CC6(C)C.C45=O |
48798 | CC(C)(C)n1cc(-c2ccc(C(=O)N3CCCCC3)cn2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][=C][C][=N][Ring2][Ring1][Ring1] | c17ccc5cn1.n16cc7cn1.N14CCCCC1.CC6(C)C.C45=O |
48799 | CC(C)(C)n1cc(-c2ccc(C(=O)N3CCCC3)cn2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][=N][C][=N][Ring2][Ring1][C] | c17ccc5cn1.n16cc7cn1.N14CCCC1.CC6(C)C.C45=O |
48800 | CC(C)(C)n1cc(-c2ccc(C(=O)NCc3ccncc3)cn2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c19ccc6cn1.n17cc9cn1.c18ccncc1.CC7(C)C.C46=O.N45.C58 |
48801 | CC(C)(C)n1cc(-c2ccc(C(=O)NCc3ccccc3)cn2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c19ccc6cn1.n17cc9cn1.c18ccccc1.CC7(C)C.C46=O.N45.C58 |
48802 | O=C(c1ccc(-c2cnn(CCO)c2)nc1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][N][=C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc6nc1.c16cnn5c1.N13CCOCC1.O=C34.C5CO |
48803 | O=C(c1ccc(-c2cnn(CCO)c2)nc1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][N][=C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc6nc1.c16cnn5c1.N13CCCCC1.O=C34.C5CO |
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