ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931977 | FC(F)(F)c1ccc(-n2cc(NCc3csnn3)cn2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][Branch1][#Branch2][N][C][C][=C][S][N][=N][Ring1][Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c17ccc8cc1.n18cc5cn1.c16csnn1.FC7(F)F.N45.C46 |
1931978 | c1ccc(-c2nc(CNc3nncs3)cs2)nc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][N][C][=N][N][=C][S][Ring1][Branch1][=C][S][Ring1][N][N][=C][Ring2][Ring1][C] | c1ccc7nc1.c17nc6cs1.c15nncs1.C46.N45 |
1931979 | Cc1noc(NCc2ccc(Oc3cnccn3)cc2)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c18ccc5cc1.Cc1noc7n1.c14cnccn1.N67.C68.O45 |
1931980 | Cc1noc(NCc2cc3ccccc3[nH]c2=O)n1 | [C][C][=N][O][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][C] | c16cc2ccccc2[nH]c1=O.Cc1noc5n1.N45.C46 |
1931981 | CCCn1nc(C)c(CNc2nnc(C)s2)c1C | [C][C][C][N][N][=C][Branch1][C][C][C][Branch1][=N][C][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][=C][C] | n15nc(C)c6c1C.c14nnc(C)s1.CCC5.C36.N34 |
1931982 | CCCc1nnc(NCc2cnn(CC)c2)s1 | [C][C][C][C][=N][N][=C][Branch1][=C][N][C][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][S][Ring1][=C] | c16nnc4s1.c17cnn5c1.CCC6.N34.C37.C5C |
1931983 | CC(C)c1nnc(NCc2csc(-c3ccccn3)n2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][S][Ring2][Ring1][C] | c16nnc5s1.c17csc8n1.c18ccccn1.CC6C.N45.C47 |
1931984 | Cc1nc(CNc2nnc(C3CCCCC3)o2)cs1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O][=C][S][Ring2][Ring1][C] | Cc1nc6cs1.c15nnc7o1.C17CCCCC1.C46.N45 |
1931985 | COc1cc(C)ccc1Oc1ccc(NCc2cc[nH]n2)cn1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=N][Ring1][=N] | c14cc(C)ccc15.c13ccc7cn1.c18cc[nH]n1.CO4.O35.N67.C68 |
1931986 | Cc1cc(C)n2c(CNc3nnc(CC(C)(C)C)o3)cnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch2][Ring1][Branch1][C][N][C][=N][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch2][=C][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2c6cnc2n1.c15nnc7o1.C7C(C)(C)C.C46.N45 |
1931987 | Cc1nn(C)cc1CNc1nnc(CC2CCCC2)s1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][S][Ring1][O] | Cc1nn(C)cc17.c14nnc5s1.C16CCCC1.C37.N34.C56 |
1931988 | N#Cc1csc(CNc2nnc(Cc3ccccc3F)o2)c1 | [N][#C][C][=C][S][C][Branch2][Ring1][=Branch1][C][N][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][=N][=C][Ring2][Ring1][Ring2] | N#Cc1csc6c1.c18ccccc1F.c15nnc7o1.C46.N45.C78 |
1931989 | Cc1nn(C)c(C)c1CNc1ccc(Oc2cccnc2)nc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][=N] | Cc1nn(C)c(C)c17.c16ccc3nc1.c14cccnc1.C57.N56.O34 |
1931990 | CC(=O)Nc1ccc(NC(C)c2occc2Br)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][Branch1][C][C][C][O][C][=C][C][=Ring1][Branch1][Br][C][=C][Ring1][#C] | c15ccc6cc1.c17occc1Br.CC3=O.C47C.N35.N46 |
1931991 | CC(=O)Nc1ccc(NC(C)Cn2cc(Br)cn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][Branch1][C][C][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.n17cc(Br)cn1.C4(C)C7.CC3=O.N35.N46 |
1931992 | CC(Nc1cnn(CC(=O)NC2CCCC2)c1)c1ccncc1 | [C][C][Branch2][Ring1][Branch2][N][C][C][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cnn7c1.c18ccncc1.C16CCCC1.C7C3=O.CC48.N45.N36 |
1931993 | Cc1ccc(C(N)=O)cc1NC(C)Cn1cc(Br)cn1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][Branch1][C][C][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1] | Cc1ccc4cc13.n15cc(Br)cn1.C2(C)C5.C4(N)=O.N23 |
1931994 | Cc1ccc(NC(C)Cn2cc(Br)cn2)cc1C(N)=O | [C][C][=C][C][=C][Branch1][P][N][C][Branch1][C][C][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][Branch1][C][N][=O] | Cc1ccc4cc15.n16cc(Br)cn1.C3(C)C6.C5(N)=O.N34 |
1931995 | CC(CC1CCOCC1)Nc1ccc(NC(=O)C2CC2)nc1 | [C][C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N] | c16ccc5nc1.C18CCOCC1.CC4C8.C37=O.C17CC1.N46.N35 |
1931997 | Cn1cc(CC2CCN(C(=O)c3ccc(F)c(Cl)c3F)C2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | c15ccc(F)c(Cl)c1F.Cn1cc7cn1.C16CCN4C1.C45=O.C67 |
1931998 | O=C(c1ccc(O)cc1F)N1CCOC2(CCCC2)C1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][N][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2] | N13CCOC2(CCCC2)C1.c14ccc(O)cc1F.O=C34 |
1931999 | O=C(c1cc[nH]n1)N1CCCC(c2n[nH]c(-c3ccccc3)n2)C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Ring1][P] | N14CCCC6C1.c16n[nH]c7n1.c17ccccc1.c15cc[nH]n1.O=C45 |
1932000 | Cc1ccnc(C(NS(=O)(=O)c2cnn(C)c2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring2] | S4(=O)(=O)c1cnn(C)c1.Cc1ccnc5n1.C356.C16CC1.N34 |
1932001 | CCCCCS(=O)(=O)N1CCC(c2nc(C)cs2)CC1 | [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][Ring1][N] | CCCCCS3(=O)=O.N13CCC4CC1.c14nc(C)cs1 |
1932003 | Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2cc(C)on2)c1 | [C][C][C][=N][N][Branch2][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=Ring2][Ring1][#Branch1] | c17ccc6cc14.Cc1cnn7c1.c15cc(C)on1.C6(N)=O.C35=O.N34 |
1932004 | O=C(NC(CO)c1ccc(Cl)c(F)c1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1] | c15ccc(Cl)c(F)c1.c14ccc[nH]1.C35CO.O=C24.N23 |
1932005 | CN(C(=O)c1ccc[nH]1)C(C(N)=O)c1cccc(Br)c1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cccc(Br)c1.c14ccc[nH]1.C35C(N)=O.CN23.C24=O |
1932006 | Cc1cccc(C2(C(=O)NCCOC(N)=O)CCCC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][N][=O][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2] | Cc1cccc8c1.C178CCCC1.C47=O.C6C5.C3(N)=O.N46.O35 |
1932007 | CC(O)c1ccccc1NC(=O)c1noc2c1CCCC2 | [C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15noc2c1CCCC2.c16ccccc14.CC6O.C35=O.N34 |
1932008 | Cc1cc(C(=O)N2CCCCC2C(C)O)nn1-c1ccccc1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][O][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc4nn16.N13CCCCC15.c16ccccc1.C34=O.C5(C)O |
1932009 | O=C(Nc1ccccc1CN1CCNC1=O)c1[nH]nc2c1CCCC2 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15[nH]nc2c1CCCC2.c14ccccc17.N16CCNC1=O.O=C35.N34.C67 |
1932010 | O=C(CC1=CCCCC1)Nc1cccc(C(=O)N2CCCC(O)C2)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring1][#C] | O=C3CC1=CCCCC1.c15cccc6c1.N14CCCC(O)C1.C46=O.N35 |
1932011 | O=C(NC1COc2ccccc2C1)c1ccc(O)cc1F | [O][=C][Branch1][S][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] | C14COc2ccccc2C1.c15ccc(O)cc1F.O=C35.N34 |
1932012 | Cc1ccc(CC(=O)Nc2ccccc2N2CCC(O)CC2)cc1O | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][O] | Cc1ccc6cc1O.c14ccccc15.N15CCC(O)CC1.C6C3=O.N34 |
1932013 | O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(O)cc1F | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] | c15ccc(O)cc1F.c16nc7cs1.c17ccccn1.O=C35.C4C6.N34 |
1932014 | c1ccc(-c2nnc(OCc3nc(-c4ccccn4)no3)o2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c1ccc9cc1.c19nnc6o1.c17nc8no1.c18ccccn1.O56.C57 |
1932015 | Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)N(C)c1nccs1 | [C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1] | Cc1nn4c(C)c15.C4C(F)(F)F.C5(C)C2=O.c13nccs1.N23C |
1932016 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c16ccc(S5(=O)=O)c2ccccc12.c17ccco1.CC3=O.N36.N45.C47 |
1932018 | Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)Nc1ncnn1C | [C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][N][Ring1][Branch1][C] | Cc1nn4c(C)c15.c13ncnn1C.C4C(F)(F)F.C5(C)C2=O.N23 |
1932019 | CCC(C)C(=O)N1CCCC(C(=O)Nc2ncccc2Cl)C1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][S] | N13CCCC6C1.c15ncccc1Cl.CCC(C)C3=O.C46=O.N45 |
1932021 | Cc1nccn1-c1ncccc1NCc1nc2c(s1)CCC2 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c15nc2c(s1)CCC2.c16ncccc14.Cc1nccn16.N34.C35 |
1932022 | Cc1c(NCc2ccc(-n3cncn3)cc2)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=N][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn18.c16ccc7cc1.c18ccccc1.n17cncn1.N45.C46 |
1932023 | O=C(NC(CC1CCC1)c1ccccc1)C1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][C][Ring1][=Branch1] | c16ccccc1.C14CCOCC1.C36C5.C15CCC1.O=C24.N23 |
1932024 | Cc1cc(Br)ccc1CN1CCN(C(=O)CO)CC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2] | Cc1cc(Br)ccc14.N13CCN2CC1.C2(=O)CO.C34 |
1932026 | Cc1c(C(=O)Nc2ccccc2-n2ccnn2)cnn1C1CCCC1 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1] | Cc1c5cnn16.c14ccccc17.n17ccnn1.C16CCCC1.C35=O.N34 |
1932027 | CCc1nc(C(=O)Nc2ccccc2-n2ccnn2)c[nH]1 | [C][C][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][=C][NH1][Ring2][Ring1][Ring1] | c14ccccc17.c16nc5c[nH]1.n17ccnn1.C35=O.CC6.N34 |
1932029 | CCc1cc(C(=O)N(CC2CC2)C(C)c2ccccc2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | c17cc6cc(=O)[nH]1.c19ccccc1.C36=O.N345.C18CC1.C59C.CC7.C48 |
1932030 | CC(C)(C)Oc1ccc(C(=O)NCc2ncc[nH]2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=N][Ring1][#C] | c15ccc7cn1.c18ncc[nH]1.CC4(C)C.C37=O.O45.N36.C68 |
1932031 | CN(CC1CCCCC1O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 | [C][N][Branch1][O][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2] | c16ccc2c(c1)C(=O)CCC2.C17CCCCC1O.CN35.C34=O.C57.N46 |
1932032 | Cc1coc(-c2ccc(C)c(NC(=O)NCC(=O)NCC3CC3)c2)n1 | [C][C][=C][O][C][Branch2][Ring2][C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | c1%11ccc(C)c9c1.Cc1coc%11n1.C7C6=O.C45=O.C1%10CC1.N49.N57.N68.C8%10 |
1932033 | Cc1coc(-c2cc(NC(=O)NCC(=O)NCC3CC3)ccc2C)n1 | [C][C][=C][O][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | c1%11cc9ccc1C.Cc1coc%11n1.C7C6=O.C45=O.C1%10CC1.N49.N57.N68.C8%10 |
1932034 | O=C(CNC(=O)Nc1cccnc1-c1ccccc1)NCC1CC1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Ring1] | c17cccnc19.c19ccccc1.O=C2C5.C34=O.C18CC1.N35.N47.N26.C68 |
1932035 | COCCOc1ccc(Br)cc1NC(=O)NC1CC1 | [C][O][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c16ccc(Br)cc17.C4C5.C23=O.C18CC1.CO4.O56.N27.N38 |
1932036 | CC(C)(C)Oc1ccc(C(=O)N2CCN(Cc3ccon3)CC2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][N][=Ring1][Branch1][C][C][Ring1][N][C][=N][Ring2][Ring1][Ring2] | c16ccc8cn1.N14CCN7CC1.c19ccon1.CC5(C)C.C48=O.O56.C79 |
1932037 | O=C(CN1CCCCC1=O)Nc1csc(N2CCCCC2)n1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | N16CCCCC1=O.c14csc5n1.N15CCCCC1.O=C3C6.N34 |
1932038 | O=C(Nc1csc(N2CCCCC2)n1)C1CCCOC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][C][C][C][O][C][Ring1][=Branch1] | c14csc5n1.N15CCCCC1.C16CCCOC1.O=C36.N34 |
1932039 | COc1cc2ccncc2cc1OC(=O)c1cncc(C)c1 | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14cc2ccncc2cc15.c16cncc(C)c1.C36=O.CO4.O35 |
1932040 | COc1cc2ccncc2cc1OC(=O)c1scnc1C | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C] | c14cc2ccncc2cc15.c16scnc1C.C36=O.CO4.O35 |
1932041 | Cc1nn(-c2ccccc2)cc1C(=O)N(C)C1(C(N)=O)CCCC1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2] | Cc1nn7cc16.c17ccccc1.C145CCCC1.C36=O.N34C.C5(N)=O |
1932042 | Cc1cc(C(=O)NC(C)c2ncon2)nn1-c1ccc(F)cc1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=C][O][N][=Ring1][Branch1][=N][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cc5nn17.c17ccc(F)cc1.c16ncon1.C35=O.C46C.N34 |
1932043 | CC(NC(=O)c1c[nH]c2ccccc12)c1ncon1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][=C][O][N][=Ring1][Branch1] | c15c[nH]c2ccccc12.c16ncon1.CC46.C35=O.N34 |
1932044 | O=C(NC(CO)c1ccccc1)C1CCCN(CC(F)(F)F)C1 | [O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O] | C15CCCN4C1.c16ccccc1.C4C(F)(F)F.C36CO.O=C25.N23 |
1932045 | CC(C)(C)Sc1cc(C(=O)NCc2nnc3ccccn23)ccn1 | [C][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][Ring1] | c18nnc2ccccn12.c19cc7ccn1.CC6(C)C.C47=O.S69.N45.C58 |
1932046 | CC(C)Cn1ncnc1CSc1nnc(C2CCCCC2)o1 | [C][C][Branch1][C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | n14ncnc15.c16nnc7o1.C17CCCCC1.CC(C)C4.C35.S36 |
1932047 | Cc1cnc(SC2CCCN(c3ccc(C#N)cc3)C2=O)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][S][C][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=C][=O][N][=C][Ring2][Ring1][=Branch1] | C16CCCN4C1=O.c14ccc(C#N)cc1.Cc1cnc5nc1.S56 |
1932048 | CC(C)c1nsc(NC(C)c2nnc3n2CCC3)n1 | [C][C][Branch1][C][C][C][=N][S][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][=N][Ring1][S] | c17nnc2n1CCC2.c16nsc5n1.CC6C.C47C.N45 |
1932049 | Cc1cc2c(N3CCC(c4nncn4C(C)C)CC3)ncnc2s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][=C][N][=C][N][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1] | Cc1cc2c5ncnc2s1.N15CCC7CC1.c17nncn16.C6(C)C |
1932050 | CC(C)n1cnnc1C1CCN(c2ncc(F)cn2)CC1 | [C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N] | C15CCN3CC1.c13ncc(F)cn1.n14cnnc15.CC4C |
1932051 | Cn1cc(C(=O)CC2CCCN2c2ccc(Cl)c(C#N)n2)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=N][Ring1][=Branch2][C][=N][Ring2][Ring1][=Branch1] | c13ccc(Cl)c(C#N)n1.Cn1cc4cn1.C15CCCN13.C4(=O)C5 |
1932052 | CCn1c(C)nnc1COn1nnc2ccc(Cl)cc21 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][O][N][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2] | O3n1nnc2ccc(Cl)cc21.n14c5nnc1C.CC4.C35 |
1932053 | O=C(Cn1cc(CCCO)c(C(F)(F)F)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][Branch1][C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | n13cc5c4n1.N12CCOCC1.O=C2C3.C5CCO.C4(F)(F)F |
1932054 | Cc1noc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][Branch1][C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=N][=N][Ring2][Ring1][Ring1] | n13cc6c5n1.Cc1noc4n1.C6CCO.C5(F)(F)F.C34 |
1932055 | COc1ccc(F)cc1C(C)NC(=O)NC(CO)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(F)cc17.c18ccccc1.C68CO.C57C.C23=O.CO4.N25.N36 |
1932056 | Cc1nnc(CNc2ccccc2C#Cc2ccccc2)n1C | [C][C][=N][N][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | c14ccccc1C#Cc1ccccc1.Cc1nnc5n1C.C35.N34 |
1932057 | O=C(NCc1ccc(F)c(Cl)c1)NC(CO)c1ccccc1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)c(Cl)c1.c17ccccc1.C57CO.O=C23.N24.C46.N35 |
1932058 | CC1CCCC(C)N1C(=O)N1CCCC(Cn2cncn2)C1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N] | CC1CCCC(C)N13.N14CCCC6C1.n15cncn1.C34=O.C56 |
1932059 | O=C(Nc1ccncc1)N1CCCC(Cn2cncn2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N] | N14CCCC7C1.c15ccncc1.n16cncn1.O=C34.N35.C67 |
1932060 | COc1cc(Cl)ccc1CNC(=O)NC(CO)c1ccccc1 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(Cl)ccc17.c18ccccc1.C68CO.C23=O.CO4.C57.N25.N36 |
1932061 | O=C(NC(CO)c1ccccc1)NC1CC1c1c(F)cccc1F | [O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c17c(F)cccc1F.c16ccccc1.C46CO.C15CC17.O=C23.N24.N35 |
1932063 | CCC(CC)C1CC(NC(=O)NC(C)c2ncc(C)s2)CCO1 | [C][C][C][Branch1][Ring1][C][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][O][Ring2][Ring1][C] | C17CC6CCO1.c18ncc(C)s1.CCC7CC.C34=O.C58C.N36.N45 |
1932064 | CCC(CC)C1CC(NC(=O)NC2CCCn3ncnc32)CCO1 | [C][C][C][Branch1][Ring1][C][C][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][N][N][=C][N][=C][Ring1][Branch1][Ring1][=Branch2][C][C][O][Ring2][Ring1][Ring1] | N5C1CCCn2ncnc21.C17CC6CCO1.CCC7CC.C45=O.N46 |
1932065 | CCC(CC)C1CC(NC(=O)NC2C=CC(CO)C2)CCO1 | [C][C][C][Branch1][Ring1][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1][C][C][O][Ring1][P] | C17CC5CCO1.C16C=CC8C1.CCC7CC.C34=O.N35.N46.C8O |
1932066 | COc1cc(C)ccc1CNC(=O)NC(CO)c1ccccc1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(C)ccc17.c18ccccc1.C68CO.C23=O.CO4.C57.N25.N36 |
1932067 | Cc1nc(CNC(=O)NC(CO)c2ccccc2)oc1C | [C][C][N][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring2][Ring1][Ring1][C] | Cc1nc7oc1C.c18ccccc1.C68CO.C34=O.C57.N35.N46 |
1932068 | COc1ccc(CNC(=O)NC(CO)c2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Cl] | c15ccc8cc1Cl.c19ccccc1.C79CO.C34=O.CO5.C68.N36.N47 |
1932069 | COc1cc(C(C)NC(=O)NC(CO)c2ccccc2)ccc1F | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][F] | c15cc8ccc1F.c19ccccc1.C79CO.C68C.C34=O.CO5.N36.N47 |
1932070 | CC(NC(=O)NC(CO)c1ccccc1)c1cccc(F)c1F | [C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] | c16cccc(F)c1F.c17ccccc1.C57CO.CC46.C23=O.N24.N35 |
1932071 | COc1cccc2[nH]cc(CC(=O)NCCc3ccc[nH]3)c12 | [C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring2][Ring1][Ring2][=Ring1][S] | c15cccc2[nH]cc8c12.c17ccc[nH]1.C8C4=O.C6C7.CO5.N46 |
1932072 | CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCc3cccc(O)c32)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][Ring2] | N15CCCc2cccc(O)c21.c16ccc(Cl)c7c1.CC4=O.C57=O.N46 |
1932073 | O=C(c1cccc(-n2ccnn2)c1)N1CCCc2cccc(O)c21 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.c14cccc5c1.n15ccnn1.O=C34 |
1932074 | O=C(Cc1ccn[nH]1)N1CCCc2cccc(O)c21 | [O][=C][Branch1][=Branch2][C][C][=C][C][=N][NH1][Ring1][Branch1][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.c14ccn[nH]1.O=C3C4 |
1932075 | CC(C)NC(=O)c1ccc(C(=O)N2CCCc3cccc(O)c32)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | N15CCCc2cccc(O)c21.c17ccc8cc1.CC6C.C47=O.C58=O.N46 |
1932077 | COc1nc(NC(=O)C2CC2c2sccc2C)n[nH]1 | [C][O][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][S][C][=C][C][=Ring1][Branch1][C][=N][NH1][Ring1][P] | c14nc5n[nH]1.c17sccc1C.C16CC17.C36=O.CO4.N35 |
1932078 | Cc1cccc(O)c1NC(=O)Cn1c(C)c(C)sc1=O | [C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O] | Cc1cccc(O)c13.n14c(C)c(C)sc1=O.C2(=O)C4.N23 |
1932079 | CCNc1ccc(Br)cc1NC(=O)CCc1nc[nH]n1 | [C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][=C][NH1][N][=Ring1][Branch1] | c14ccc(Br)cc15.C2(=O)CC6.c16nc[nH]n1.CC3.N34.N25 |
1932080 | CN(Cc1ccc(Br)c2cccnc12)C1CCOC1 | [C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][C][C][O][C][Ring1][Branch1] | c15ccc(Br)c2cccnc12.C14CCOC1.CN34.C35 |
1932081 | Cc1ccc(CC(=O)NCCNc2cccc(Br)c2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring2] | Cc1ccc7cn1.c16cccc(Br)c1.C7C3=O.C4C5.N34.N56 |
1932082 | CC(CO)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 | [C][C][Branch1][Ring1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1] | c15ccc(Cl)cc17.c16ccc[nH]1.CC4CO.N24C.C23=O.C67=O.N35 |
1932083 | O=C1CC(C(F)(F)F)N(S(=O)(=O)c2cccs2)CCN1 | [O][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][N][Ring2][Ring1][Ring1] | O=C1CC4N3CCN1.S3(=O)(=O)c1cccs1.C4(F)(F)F |
1932084 | COC(=O)c1cc(F)c(C)c(NCc2ccc(CO)o2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][P] | c16cc5c(C)c(F)c1.c17ccc8o1.C36=O.CO3.N45.C47.C8O |
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