ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
31985 | CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCC3 | [C][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#C][C][C][C][Ring1][Branch2] | c15nc4c2c3c(sc2n1)CCC3.N14CCOCC1.CS5 |
31986 | CCc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3 | [C][C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][N][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=C] | c14nc2sc3c(c2c2nnnn12)CC(C)(C)OC3.CC4 |
31987 | COc1cc(C(=O)NC(C)(C)C)ccc1OC(C)C | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][O][C][Branch1][C][C][C] | c14cc7ccc15.C6(C)(C)C.C27=O.C3(C)C.CO4.N26.O35 |
31988 | O=C(NCC1(c2ccccc2)CCOCC1)c1cccs1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | C167CCOCC1.c17ccccc1.c15cccs1.O=C35.N34.C46 |
31989 | CC(C)Oc1ccc(CNC(=O)c2cccs2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc8cc1.c17cccs1.CC4C.C37=O.O45.C68.N36 |
31990 | O=C(NCC1(c2ccccc2)CCOCC1)C1CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][C][C][Ring1][Ring1] | C167CCOCC1.c17ccccc1.O=C35.C15CC1.N34.C46 |
31991 | Cc1ccc(C2(CC#N)CCOC(C(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][Ring2][C][C][#N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][C] | C145CCOC3C1.Cc1ccc5cc1.C4C#N.C3(C)C |
31992 | CC1(C)CC(N(Cc2cccs2)C(=O)c2ccco2)CCO1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1(C)CC5CCO1.c17cccs1.c16ccco1.N345.C36=O.C47 |
31993 | CC(=O)N(Cc1cccs1)C1CCOC(C)(C)C1 | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C14CCOC(C)(C)C1.c15cccs1.CC2=O.N234.C35 |
31996 | Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCOCC3)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2nc6cc5c2c1.c16ccncc1.N14CCOCC1.C45=O |
32000 | Cc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c16nc2nc(C)cc7n2n1.Cc1ccc5c(C)c1.C46=O.C7(F)F.N45 |
32001 | CCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n15c6nc2ccccc2c1=O.N13CCCCC1.C4C3=O.CC5.S46 |
32002 | Cc1ccc2c(c1)C(O)(CC(=O)c1cccnc1)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P] | Cc1ccc2c(c1)C(O)(CC3=O)C(=O)N2.c13cccnc1 |
32003 | Cc1nnc2c(NC3CCCC3)nc3ccccc3n12 | [C][C][=N][N][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c4nc3ccccc3n12.C15CCCC1.N45 |
32004 | Cc1nc(SCC(N)=O)c(C(N)=O)c(C)c1C | [C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring1][#C][C] | Cc1nc4c3c(C)c1C.C2C(N)=O.C3(N)=O.S24 |
32005 | COc1ccc(C(=O)n2ccc(C)n2)cc1Br | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][Br] | c13ccc4cc1Br.C4(=O)n1ccc(C)n1.CO3 |
32006 | O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c17ncn6n1.c16ccccc1.O=C3C4.S47.N35 |
32007 | COc1cc(NC(C)=O)ccc1NC(=O)Cc1ccccc1 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc5ccc16.c17ccccc1.C3(=O)C7.C2(C)=O.CO4.N25.N36 |
32008 | Cc1cccc(C)c1N1CCN(C(=O)N2CCOCC2)CC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | Cc1cccc(C)c15.N15CCN3CC1.N14CCOCC1.C34=O |
32009 | Cc1ccc(NC(=O)CC2COc3ccccc3O2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1ccc5cc1.C4(=O)C6.N45 |
32010 | O=C(COc1ccc(Br)cc1)c1ccc(O)cc1O | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c13ccc(Br)cc1.O=C4C2.O23 |
32011 | COc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc6cc4c15.C6(=O)n1ccc(C)n1.CO3.O4C.O5C |
32012 | COc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CCC5CC1.C5(N)=O.CO3 |
32013 | COc1cc(C(C)=O)ccc1OCC(O)Cn1nc(C)cc1C | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c13cc5ccc14.n16nc(C)cc1C.C2C(O)C6.C5(C)=O.CO3.O24 |
32014 | CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | S6(=O)(=O)c1ccc(C)cc1.c18cccc7c1.N345.C38=O.CC4.C5C.N67 |
32015 | CNc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | c14ccccc16.N13CCN5CC1.c15ccc(F)cc1.C36=O.CN4 |
32016 | CNc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c14ccccc16.N13CCN5CC1.c15ccccc1.C36=O.CN4 |
32017 | CC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 | [C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring1][P] | c14ccc(Cl)c6c1.CC15CC1.C6(F)(F)F.C35=O.N34 |
32018 | O=c1oc2ccccc2c2c1C=Nc1ccccc1N2 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O] | O=c1oc2ccccc2c2c1C=Nc1ccccc1N2 |
32019 | Cc1csc(NC(=O)c2cccc(Cl)c2)n1 | [C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Cl)c1.Cc1csc4n1.C35=O.N34 |
32020 | COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=C][C][Branch1][C][C][=N][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15cc(C)nc8n1.c17ccc6cc1.n18nc(C)cc1C.C47=O.CO4.O56 |
32021 | O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc7cc1.N14CCOCC1.c16ccco1.O=C36.C47=O.N35 |
32022 | CCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c15ccccc18.c16ccc7cc1.C28=O.C3(C)=O.CC4.O45.N26.N37 |
32023 | CCSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3 | [C][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=C] | c16nc2sc3c(c2c(=O)n15)CC(C)(C)OC3.CC4.S46.C5C |
32024 | CCn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3 | [C][C][N][C][Branch1][Ring1][S][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][O][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O] | n14c5nc2sc3c(c2c1=O)CC(C)(C)OC3.CC4.S5C |
32026 | CC1CCCc2sc3c(c21)c(=O)n(-c1ccccc1)c1nncn31 | [C][C][C][C][C][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][P][Ring1][Branch1] | CC1CCCc2sc3c(c21)c(=O)n4c1nncn31.c14ccccc1 |
32027 | Cc1cc(C)nc(SCC(=O)Nn2cnnc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][=N][Ring1][P] | C3C(=O)Nn1cnnc1.Cc1cc(C)nc4n1.S34 |
32028 | O=C(CSc1nc2ccccc2[nH]1)Nn1cnnc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1] | O=C(C3)Nn1cnnc1.c14nc2ccccc2[nH]1.S34 |
32029 | O=C(CSc1ccccn1)N1CCc2ccccc2C1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15ccccn1.O=C3C4.S45 |
32030 | Cc1nnc2c(N3CCCC(C)C3)nc3ccccc3n12 | [C][C][=N][N][=C][C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1nnc2c4nc3ccccc3n12.N14CCCC(C)C1 |
32032 | CCC(CC)NC(=O)c1cccc(NC(=O)C(C)C)c1 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c16cccc5c1.CCC4CC.C3(=O)C(C)C.C26=O.N24.N35 |
32033 | CCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C(C)C)c1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c17cccc(C)c14.c16cccc5c1.C3(=O)C(C)C.C26=O.CC7.N24.N35 |
32035 | CC(C)n1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][=C][C][=Branch1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C] | n13cc2c(c14)c(=O)n(C)c(=O)n2C.c14ccccc1.CC3C |
32036 | COc1ccc(C2(C(=O)NC(C)(C)C)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.C167CCOCC1.C5(C)(C)C.C36=O.CO4.N35 |
32037 | COc1ccc(C2(C(=O)Nc3ccccc3OC)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.C189CCOCC1.c17ccccc16.C48=O.CO5.N47.O6C |
32038 | CC(=O)N1c2ccccc2C(CSc2nnc(C)s2)=CC1(C)C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][Ring2][Ring1][C][Branch1][C][C][C] | N13c2ccccc2C(C4)=CC1(C)C.c15nnc(C)s1.CC3=O.S45 |
32039 | CC1(C)CC(=O)c2cnc(NCc3ccccc3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2cnc5nc2C1.c16ccccc1.N45.C46 |
32040 | O=C1CC(c2ccco2)Cc2nc(NC3CC3)ncc21 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | O=C1CC6Cc2nc4ncc21.c16ccco1.C15CC1.N45 |
32041 | CC(NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C157CCOCC1.c17ccccc1.c16ccccc1.CC46.C35=O.N34 |
32042 | CCC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 | [C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(S(N)(=O)=O)cc1.CCC4C2=O.c14ccccc1.C3C5.N23 |
32043 | CCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][P][C][Ring2][Ring1][=Branch1][=O] | n17c(=O)[nH]c2cc6ccc2c1=O.c15cc(C)cc(C)c1.C46=O.CC7.N45 |
32044 | CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)cc3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][P][C][Ring2][Ring1][=Branch1][=O] | n18c(=O)[nH]c2cc7ccc2c1=O.c16ccc5cc1.C47=O.CC8.N46.O5C |
32045 | CC1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | CC1CCc2c(sc5c27)C1.c16cccs1.C46=O.C7(N)=O.N45 |
32046 | CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12 | [C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=C][C][=C][O][C][Ring1][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=Ring1][#Branch1] | c14c2ccoc2cc2oc(=O)ccc12.CC(C)(O)C(O)C3.O34 |
32047 | O=C(c1ccccc1)C1(Cn2cncn2)Oc2ccccc2C1O | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][O] | C136Oc2ccccc2C1O.c14ccccc1.n15cncn1.O=C34.C56 |
32049 | O=C(NCc1ccccn1)C1CC1c1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccn1.c16ccccc1.C14CC16.O=C24.N23.C35 |
32050 | COC(=O)c1cc(NC(=O)c2ccccc2C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] | c17cc6cc9c1.c18ccccc1C.C37=O.C58=O.C49=O.CO3.N56.O4C |
32051 | CCc1cccc(C)c1NC(=O)c1c(OC)cccc1OC | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c17cccc(C)c15.c16c3cccc14.C26=O.CC7.N25.O3C.O4C |
32053 | COC(=O)c1ccccc1NC(=O)CSc1nnc(C)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c16ccccc15.c17nnc(C)s1.C3(=O)C4.C26=O.CO2.N35.S47 |
32055 | COC12C=CC(CC1)c1c(OC(C)=O)ccc(OC(C)=O)c12 | [C][O][C][C][=C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][Ring2][Ring1][Ring2] | C125C=CC(CC1)c1c6ccc7c12.C3(C)=O.C4(C)=O.CO5.O36.O47 |
32056 | CC1=Cc2ccccc2C(C#N)N1S(=O)(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][N][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1=Cc2ccccc2C(C#N)N13.S3(=O)(=O)c1ccccc1 |
32057 | Nc1cccc2c1c1c(n2S(=O)(=O)c2ccccc2)CCC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Ring1][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | Nc1cccc2c1c1c(n2S(=O)(=O)c2ccccc2)CCC1 |
32058 | CC(=O)NCc1ccc(OC(C)=O)c(OC(C)=O)c1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C] | c18ccc5c6c1.CC4=O.C2(C)=O.C3(C)=O.N47.C78.O25.O36 |
32060 | CC1(O)CCCCC1(C)S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(O)CCCCC1(C)S(=O)(=O)c1ccccc1 |
32061 | CC(=O)n1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | CC(=O)n1c3c4n(C)c1=O.c13ccccc1.c14ccccc1 |
32063 | O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccc(Cl)cc1Cl.N13CCN4CC1.c14ncccn1.O=C35 |
32065 | CCSc1nnc(NC(=O)c2cncc(Br)c2)s1 | [C][C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][#C] | c16cncc(Br)c1.c17nnc5s1.C36=O.CC4.S47.N35 |
32066 | COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(C)cc1.c14ccc6c7c1.C3(C)=O.CO4.N56.N37 |
32067 | O=C1CN=CN=CN1c1ccc(Cl)cc1Cl | [O][=C][C][N][=C][N][=C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | O=C1CN=CN=CN12.c12ccc(Cl)cc1Cl |
32068 | Cc1ccc(NC(=O)COc2ccc(Cl)cc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C] | Cc1ccc6nc1.c15ccc(Cl)cc1.C3(=O)C4.N36.O45 |
32069 | CCOC(=O)c1c(C)n(CC(O)CO)c2ccc(O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][S][Ring1][#Branch1] | c15c(C)n6c2ccc(O)cc12.C6C(O)CO.C35=O.CC4.O34 |
32070 | CCOC(=O)c1c[nH]c2c(-c3ccco3)cccc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Ring1][O][C][Ring1][#C][=O] | c16c[nH]c2c7cccc2c1=O.c17ccco1.C46=O.CC5.O45 |
32071 | CCOC(=O)c1c(C)n(C)c2cc(Br)c(O)c(N)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][N][=C][Ring1][=C][Ring1][=Branch2] | c15c(C)n(C)c2cc(Br)c(O)c(N)c12.C35=O.CC4.O34 |
32072 | CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][#C][C] | c17c6csc1C.c18ccc(Cl)cc1.C37=O.C48=O.CC5.O35.N46 |
32073 | COc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][N][=C][Branch1][C][C][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][=Branch2][S][Ring1][N][C][=C][Ring2][Ring1][C] | c15cc2nc(C)n(N)c(=O)c2s1.c14ccc5cc1.CO4 |
32074 | O=c1c2sc(-c3ccccc3)cc2nc2n1CCC2 | [O][=C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][C][Ring1][Branch1] | O=c1c2sc4cc2nc2n1CCC2.c14ccccc1 |
32075 | Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2 | [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][#C][N][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][C] | Clc1ccc2c(c1)C=Nc1c3ncnc1O2.N13CCOCC1 |
32077 | C1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21 | [C][=N][C][=C][Branch1][#C][N][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | C1=Nc2c3ncnc2Oc2ccccc21.N13CCOCC1 |
32078 | CCOC(=O)c1c2n(c3c(SC)ncnc13)CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][=C][Branch1][Ring1][S][C][N][=C][N][=C][Ring1][O][Ring1][Branch2][C][C][C][Ring1][=N] | c16c2n(c3c7ncnc13)CCC2.C46=O.CC5.O45.S7C |
32079 | O=C(Cn1cnc2nc3n(c2c1=O)CCC3)NCc1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][N][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Ring1][Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16cnc2nc3n(c2c1=O)CCC3.c17ccccc1.O=C4C6.N45.C57 |
32080 | CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccccc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][C][Ring1][=C] | c16sc(C)c2c(=O)n7nnc12.c18ccccc1.C46=O.CC5.O45.C78 |
32081 | CCOC(=O)c1sc(C)c2c(=O)n(CC)nnc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][N][=N][C][=Ring1][=N][Ring1][=Branch2] | c15sc(C)c2c(=O)n6nnc12.C35=O.CC4.O34.C6C |
32083 | COc1cc(OC)cc(C(=O)Nc2ccccc2OC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | c14cc5cc8c1.c17ccccc16.C38=O.CO4.O5C.N37.O6C |
32084 | O=C(CCSc1ccc(Cl)cc1)N1CCOCC1 | [O][=C][Branch1][#C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Cl)cc1.N12CCOCC1.O=C2CC3.S34 |
32086 | COc1ccc(Cl)cc1NC(=O)c1cc2ccc(O)cc2oc1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c16cc2ccc(O)cc2oc1=O.c14ccc(Cl)cc15.C36=O.CO4.N35 |
32087 | CC(C)C(NC(=O)C1COc2ccccc2O1)C(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Branch1][C][C][C] | C15COc2ccccc2O1.CC(C)C4C(C)C.C35=O.N34 |
32089 | CS(=O)(=O)N(CC(=O)NC1CC1)c1cc(Cl)cc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15cc(Cl)cc(Cl)c1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
32090 | Cc1cc(C)cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.C16CCN4CC1.S4(C)(=O)=O.C36=O.N35 |
32093 | CN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | C15CCN4CC1.c16ccccc1.S4(C)(=O)=O.CN23.C25=O.C36 |
32094 | CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C] | S7(=O)(=O)c1ccc4cc1.C3C2=O.C6(C)(C)C.CC5C.N57.O34.N26 |
32095 | CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCC6CC1.c15ccc(F)cc1.CS4(=O)=O.C36=O.N35 |
32096 | CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][P] | c15c(F)cccc1F.N14CCC6CC1.CS4(=O)=O.C36=O.N35 |
32097 | CS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S] | N15CCC6CC1.c17cccnc1.CS5(=O)=O.C36=O.N34.C47 |
32098 | CCOC(=O)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17CCN4CC1.C18CCN6CC1.S6(C)(=O)=O.C37=O.C48=O.CC5.O35 |
32099 | CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S7(=O)=O)cc1.C18CCCCC1.C3(=O)C4.CC6.N36.O45.N78 |
32100 | CN(C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(F)c1.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
32102 | CCOc1c(Br)cc(CO)cc1Br | [C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][Br] | c13c(Br)cc4cc1Br.CC2.O23.C4O |
32103 | CCC(C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl] | S4(=O)(=O)c1ccc2c(Cl)c1Cl.CCC3C.N34.O2C |
32104 | COC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N] | c14ccc(S6(=O)=O)cc1.C2(=O)C3.C5(C)C.CO2.O34.N56 |
32105 | Cc1cc(C)cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | N16C(=O)c2ccccc2S1(=O)=O.Cc1cc5cc(C)c1.C4(=O)C6.N45 |
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