ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
21669 | Cc1cccc(NC(=O)c2ccc3nccnc3c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c16ccc2nccnc2c1.Cc1cccc5n1.C46=O.N45 |
21670 | O=C(Nc1ccc(Cl)cn1)c1ccc2nccnc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14ccc(Cl)cn1.O=C35.N34 |
21671 | O=C(Nc1ccc(Br)cn1)c1ccc2nccnc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14ccc(Br)cn1.O=C35.N34 |
21672 | C=CCn1c(SCc2cccc(F)c2)nnc1-c1cnccn1 | [C][=C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n14c6nnc17.c15cccc(F)c1.c17cnccn1.C=CC4.S36.C35 |
21674 | Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17nnc8n1C.c18cnccn1.C4(=O)C5.N46.S57 |
21675 | Cc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c17nnc8n1C.c18cnccn1.C4(=O)C5.N46.S57 |
21676 | Cn1c(SCc2ccccc2)nnc1-c1ccccn1 | [C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1.c16ccccn1.S35.C34 |
21677 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1 | [C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][S][Ring1][Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17cccs1.S46.C45 |
21678 | CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1 | [C][C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2[nH]1.n15c7nnc18.c18ccccn1.CC5.S47.C46 |
21679 | NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1] | c16nnc7n14.c17cccs1.c15ccco1.NC(=O)C3.S36.C45 |
21681 | N#Cc1nc(Cc2ccccc2)oc1N1CCCC1 | [N][#C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][N][N][C][C][C][C][Ring1][Branch1] | N#Cc1nc4oc13.c15ccccc1.N13CCCC1.C45 |
21682 | CC(Nc1oc(-c2ccco2)nc1C#N)c1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14oc6nc1C#N.c15ccccc1.c16ccco1.CC35.N34 |
21683 | N#Cc1nc(-c2ccco2)oc1NCc1ccccc1 | [N][#C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1nc6oc14.c15ccccc1.c16ccco1.N34.C35 |
21684 | O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | O=S4(=O)c1cccc5c1.c15cn2cccnc2n1.N14CCOCC1 |
21685 | CN(C)S(=O)(=O)c1cccc(-c2cn3cccnc3n2)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C] | S4(=O)(=O)c1cccc5c1.c15cn2cccnc2n1.CN4C |
21686 | CCN(CC)S(=O)(=O)c1cccc(-c2cn3cccnc3n2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C] | S6(=O)(=O)c1cccc7c1.c17cn2cccnc2n1.N456.CC4.C5C |
21687 | CCN(CC)S(=O)(=O)c1cccc(-c2cn3cccc(C)c3n2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | S6(=O)(=O)c1cccc7c1.c17cn2cccc(C)c2n1.N456.CC4.C5C |
21688 | Clc1ccccc1OCc1nc(-c2ccncc2)no1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | Clc1ccccc14.c15nc6no1.c16ccncc1.O34.C35 |
21689 | CCN(CC)S(=O)(=O)c1cccc(-c2cn3ccc(C)cc3n2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | S6(=O)(=O)c1cccc7c1.c17cn2ccc(C)cc2n1.N456.CC4.C5C |
21690 | O=S(=O)(c1cccc(-c2cn3ccccc3n2)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | O=S4(=O)c1cccc5c1.c15cn2ccccc2n1.N14CCOCC1 |
21691 | O=S(=O)(c1cccc(-c2cn3ccccc3n2)c1)N1CCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C][N][C][C][C][C][Ring1][Branch1] | O=S4(=O)c1cccc5c1.c15cn2ccccc2n1.N14CCCC1 |
21692 | CC1(C(=O)Nc2nccs2)Cc2ccccc2C(=O)O1 | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] | CC15Cc2ccccc2C(=O)O1.c14nccs1.C35=O.N34 |
21693 | COc1ccc(-c2csc(-n3nc(C)cc3C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][S][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc6cc1.n15nc(C)cc1C.c16csc5n1.CO4 |
21694 | CC1(C(=O)Nc2ccccc2F)Cc2ccccc2C(=O)O1 | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1] | CC15Cc2ccccc2C(=O)O1.c14ccccc1F.C35=O.N34 |
21695 | Cc1ccc(OCc2nc(-c3cccnc3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c16nc7no1.c17cccnc1.O45.C46 |
21696 | COc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | n16c2ccccc2n2ncnc12.c14ccc5cc1.C5(=O)C6.CO4 |
21697 | Cc1ccc(OCc2nc(-c3ccccn3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c16nc7no1.c17ccccn1.O45.C46 |
21698 | CCc1nnc2sc(-c3cc(C)nc4ccccc34)nn12 | [C][C][C][=N][N][=C][S][C][Branch2][Ring1][C][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][S] | c16cc(C)nc2ccccc12.c15nnc2sc6nn12.CC5 |
21699 | CC(C)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCOCC1.CC4C |
21700 | CC(C)n1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCCCCC1.CC4C |
21701 | CC(C)n1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.CC5C.N34.C36 |
21702 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.C4(C)C.CN3 |
21703 | CC(C)n1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CC4C.N3(C)C |
21704 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.C5(C)C.CC3.N34 |
21705 | CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.CN3C.C4C5 |
21706 | Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(O)CO | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][N][C][C][Branch1][C][O][C][O] | Cn1c(=O)[nH]c(=O)c2c1nc3n25.C14CCCCC1.C5C(O)CO.N34 |
21707 | COC(=O)c1c(C)oc2ccc(OC(=O)c3ccco3)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][Ring1][=C] | c18c(C)oc2ccc6cc12.c17ccco1.C48=O.C57=O.CO4.O56 |
21708 | Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C | [C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C][=Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | Cc1oc2ccc6cc2c17.C4C(N)=O.C37=O.C5(C)C.O46.O35 |
21709 | COC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | c18c(C)oc2ccc7cc12.N16CCOCC1.C48=O.C56=O.CO4.O57 |
21710 | COC(=O)c1c(C)oc2cc(Br)c(O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][Branch2] | c14c(C)oc2cc(Br)c(O)cc12.C34=O.CO3 |
21711 | COC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][S][Ring1][N] | c16c(C)oc2cc(Br)c5cc12.C4C(N)=O.C36=O.CO3.O45 |
21714 | COc1ccc2c(c1)C(=O)CC(O)(C(F)(F)F)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=N] | c13ccc2c(c1)C(=O)CC4(O)O2.C4(F)(F)F.CO3 |
21715 | CCOC(=O)Cn1c(=O)c(-c2ccccc2NC)nc2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c(=O)c7nc2ccccc21.c17ccccc15.C3(=O)C6.CC4.O34.N5C |
21716 | C=C1Cn2c(nc3sc4c(c3c2=O)CCCC4)S1 | [C][=C][C][N][C][=Branch2][Ring1][Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][S][Ring1][P] | C=C1Cn2c(nc3sc4c(c3c2=O)CCCC4)S1 |
21718 | Cc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.Cc1ccc7cc1.N15CCOCC1.C67 |
21719 | Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.Clc1ccc7cc1.N15CCCCC1.C67 |
21720 | Cc1nc2ccccc2n1CC1CC1(Cl)Cl | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | Cc1nc2ccccc2n13.C14CC1(Cl)Cl.C34 |
21721 | Cc1cc(C)cc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | C126CCC(C)(C(=O)C1)C2(C)C.Cc1cc5cc(C)c1.C46=O.N45 |
21723 | CC12CCC(C(=O)NCc3ccc4c(c3)OCO4)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][Branch1][#Branch1][C][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC7(CC1=O)C2(C)C.c18ccc2c(c1)OCO2.C57=O.N56.C68 |
21724 | CC12CCC(C(=O)NCc3cccnc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][=Branch1][C][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c17cccnc1.C46=O.N45.C57 |
21725 | CC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][Branch1][=Branch1][C][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.N15CCc2ccccc21.C56=O |
21726 | CC12CCC(C(=O)Nc3ccccc3-n3cccc3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1][Branch1][#Branch1][C][C][Ring2][Ring1][Ring2][=O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C] | CC12CCC6(CC1=O)C2(C)C.c15ccccc17.n17cccc1.C46=O.N45 |
21727 | COc1ccc(Cl)cc1NC(=O)C12CCC(C)(C(=O)C1)C2(C)C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C126CCC(C)(C(=O)C1)C2(C)C.c14ccc(Cl)cc15.C36=O.CO4.N35 |
21728 | Cc1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][C] | C126CCC(C)(C(=O)C1)C2(C)C.Cc1ccc5cc1C.C46=O.N45 |
21729 | Cc1ccc(C)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | C126CCC(C)(C(=O)C1)C2(C)C.Cc1ccc(C)c5c1.C46=O.N45 |
21731 | CCN(C(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1ccccc1 | [C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C126CCC(C)(C(=O)O1)C2(C)C.c15ccccc1.N345.C36=O.CC4 |
21732 | COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C126CCC(C)(C(=O)O1)C2(C)C.c14ccc(C)cc15.C36=O.CO4.N35 |
21733 | CC12CCC(C(=O)NCc3ccc4c(c3)OCO4)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][Branch1][#Branch1][O][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC7(OC1=O)C2(C)C.c18ccc2c(c1)OCO2.C57=O.N56.C68 |
21734 | CC12CCC(C(=O)NCc3cccnc3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][=Branch1][O][C][Ring1][S][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c17cccnc1.C46=O.N45.C57 |
21735 | CC12CCC(C(=O)NCC3CCCO3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][Branch1][=Branch1][O][C][Ring1][#C][=O][C][Ring1][P][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.C17CCCO1.C46=O.N45.C57 |
21736 | CCc1ccccc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C125CCC(C)(C(=O)O1)C2(C)C.c16ccccc14.C35=O.CC6.N34 |
21737 | CC12CCC(C(=O)Nc3ccccc3C(F)(F)F)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][Branch1][#Branch1][O][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15ccccc17.C7(F)(F)F.C46=O.N45 |
21738 | Cc1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][Cl] | C126CCC(C)(C(=O)O1)C2(C)C.Cc1ccc5cc1Cl.C46=O.N45 |
21739 | CC12CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Branch1][=Branch1][O][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15ccc(Cl)c(Cl)c1.C46=O.N45 |
21740 | CC12CN(C(=O)c3ccccc3)C3(C#N)CC1CCC23C | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][C][C][Ring1][S][C][C][C][Ring2][Ring1][Ring1][Ring1][Branch2][C] | CC12CN4C3(C#N)CC1CCC23C.c15ccccc1.C45=O |
21742 | Cn1c(COc2cccc3cccnc23)nnc1SCC(N)=O | [C][N][C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][N][=C][Ring1][P][S][C][C][Branch1][C][N][=O] | c15cccc2cccnc12.Cn1c7nnc18.C6C(N)=O.C47.O45.S68 |
21743 | CC(=O)NC(NC(C)=O)c1cccc(OCc2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | c19cccc6c1.c1%10ccccc1.CC3=O.C789.C4(C)=O.N37.N48.O56.C5%10 |
21744 | CCOc1cccc(C(NC(C)=O)NC(C)=O)c1 | [C][C][O][C][=C][C][=C][C][Branch1][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][C][Branch1][C][C][=O][=C][Ring1][#C] | c15cccc8c1.C678.C2(C)=O.C3(C)=O.CC4.O45.N26.N37 |
21745 | CCOc1ccc(C(NC(C)=O)NC(C)=O)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][#C] | c15ccc8cc1.C678.C2(C)=O.C3(C)=O.CC4.O45.N26.N37 |
21746 | CC12CCC(C(N)=O)(c3nc4ccccc4nc31)C2(C)C | [C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][P][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P][C][Ring2][Ring1][C][Branch1][C][C][C] | CC12CCC5(c3nc4ccccc4nc31)C2(C)C.C5(N)=O |
21747 | CC1(C)C(=O)C2(C(=O)NCCc3ccccc3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1][C][Ring1][S] | CC1(C)C(=O)C26CCC1C2.c17ccccc1.C46=O.C5C7.N45 |
21748 | COc1ccc(CNC(=O)C23CCC(C2)C(C)(C)C3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring2] | C127CCC(C1)C(C)(C)C2=O.c15ccc8cc1.C47=O.CO5.C68.N46 |
21750 | Cc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | C126CCC(C1)C(C)(C)C2=O.Cc1ccc5c(C)c1.C46=O.N45 |
21751 | CC1(C)C(=O)C2(C(=O)Nc3nc4ccccc4s3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2][C][Ring1][P] | CC1(C)C(=O)C27CCC1C2.c16nc2ccccc2s1.C57=O.N56 |
21752 | CC1(C)C(=O)C2(C(=O)Nc3ccccc3Cl)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring2][Ring1][C][C][Ring1][#C] | CC1(C)C(=O)C26CCC1C2.c15ccccc1Cl.C46=O.N45 |
21753 | COc1ccccc1NC(=O)C12CCC(C1)C(C)(C)C2=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O] | C126CCC(C1)C(C)(C)C2=O.c14ccccc15.C36=O.CO4.N35 |
21754 | CC1(C)C(=O)C2(C(=O)Nc3cccc(Cl)c3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C][C][Ring1][#C] | CC1(C)C(=O)C26CCC1C2.c15cccc(Cl)c1.C46=O.N45 |
21755 | CC1(C)C(=O)C2(C(=O)Nc3cccc(C(F)(F)F)c3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][C] | CC1(C)C(=O)C26CCC1C2.c15cccc7c1.C7(F)(F)F.C46=O.N45 |
21756 | CC1(C)C(=O)C2(C(=O)Nc3ccc(Cl)cc3)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C][C][Ring1][#C] | CC1(C)C(=O)C26CCC1C2.c15ccc(Cl)cc1.C46=O.N45 |
21757 | COc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C127CCC(C1)C(C)(C)C2=O.c15ccc6cc1.C47=O.CO5.N46 |
21758 | CCOc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C128CCC(C1)C(C)(C)C2=O.c16ccc7cc1.C48=O.CC5.O56.N47 |
21759 | CC(=O)c1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C126CCC(C1)C(C)(C)C2=O.c17ccc5cc1.CC7=O.C46=O.N45 |
21760 | CC1(C)C(=O)C2(C(=O)N3CCc4ccccc43)CCC1C2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring1][C][Ring1][S] | CC1(C)C(=O)C26CCC1C2.N15CCc2ccccc21.C56=O |
21761 | CCc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1] | C126CCC(C1)C(C)(C)C2=O.c17ccc5cc1.C46=O.CC7.N45 |
21763 | Cc1ccc2oc(C(=O)Nc3nnc(C)s3)c(C)c2c1 | [C][C][=C][C][=C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2oc6c(C)c2c1.c15nnc(C)s1.C46=O.N45 |
21764 | CCc1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][S][Ring2][Ring1][Ring1] | c16oc2ccc(C)cc2c1C.c17nnc5s1.C46=O.CC7.N45 |
21765 | Cc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][S][Ring2][Ring1][Ring2] | c16oc2cc(C)c(C)cc2c1C.Cc1nnc5s1.C46=O.N45 |
21766 | O=C(Nc1nc(COc2ccccc2)cs1)C1CCC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][=N][C][C][C][C][Ring1][Ring2] | c16nc8cs1.c15ccccc1.C17CCC1.O=C37.N36.C48.O45 |
21767 | CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][S][Ring1][P] | c16ccc2ccccc2c1.c17nc8cs1.CC4=O.N47.C58.O56 |
21768 | Cc1nc2ccccc2cc1C(=O)NCc1cccnc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1nc2ccccc2cc15.c16cccnc1.C35=O.N34.C46 |
21769 | Cc1nc2ccccc2cc1C(=O)NCc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccc2cc15.c16ccccc1.C35=O.N34.C46 |
21770 | CCOC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C] | S5(=O)(=O)c1cccs1.C16CCCN5C1.C36=O.CC4.O34 |
21771 | Clc1ccccc1-c1nnc2n1CCCS2 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C][C][S][Ring1][=Branch1] | c13nnc2n1CCCS2.Clc1ccccc13 |
21772 | OC1CSc2nnc(-c3ccccc3Cl)n2C1 | [O][C][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][Ring1][S] | OC1CSc2nnc4n2C1.c14ccccc1Cl |
21773 | Clc1ccc(-c2nnc3n2CCCS3)cc1 | [Cl][C][=C][C][=C][Branch1][=C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][S][Ring1][=Branch1][C][=C][Ring1][#C] | c14nnc2n1CCCS2.Clc1ccc4cc1 |
21774 | Cc1cc(C)n(-c2cc(N(C)C)nc(-c3ccccc3)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][N][=Ring2][Ring1][Branch1] | c15cc4nc6n1.Cc1cc(C)n5n1.c16ccccc1.N4(C)C |
21775 | CCc1cccc(C)c1NC(=O)C(CC(C)C)N1CCC1=O | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C][C][Ring1][Ring2][=O] | c15cccc(C)c13.C2(=O)C4CC(C)C.N14CCC1=O.CC5.N23 |
21776 | O=C1CCN1C1(C(=O)NC2CCCCC2)CCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][=C] | C156CCCC1.C14CCCCC1.O=C1CCN16.C35=O.N34 |
21777 | CC(=O)NC1(c2nnnn2C2CCCCC2)CCCCC1 | [C][C][=Branch1][C][=O][N][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][P] | C146CCCCC1.c16nnnn15.C15CCCCC1.CC3=O.N34 |
21778 | CCC(=O)Nc1nc(-c2ccccc2)nc(C)c1C(C)=O | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=C][Ring1][=N][C][Branch1][C][C][=O] | c14nc6nc(C)c15.c16ccccc1.CCC3=O.C5(C)=O.N34 |
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