ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
35960 | O=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2O)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#C] | c15ccccc1O.N13CCN4CC1.c16ccccc1O.O=C35.C46=O |
35961 | Oc1cccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][=C][Branch1][C][F][C][Branch1][C][F][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][F][=C][Ring2][Ring1][Branch1] | c15c(F)c6nc(F)c1F.Oc1cccc4c1.N16CCCC1.O45 |
35962 | Cc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C16CC(=O)n2cnnc2S1.Cc1cccc5c1.C46=O.N45 |
35963 | CC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][=N][C][Ring1][=N][=C][Ring1][P] | c15ccc2oc6nc2c1.c16ccc(O)c(Br)c1.CC4=O.N45 |
35964 | Cc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | C16Nc2ccccc2C(=O)N14.Cc1ccc6cc1.c15ccco1.C45 |
35965 | c1ccc(-n2c(SCc3ccccn3)nnc2-c2cccnc2)cc1 | [C][=C][C][=C][Branch2][Ring1][N][N][C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | n16c7nnc18.c1ccc6cc1.c15ccccn1.c18cccnc1.S47.C45 |
35967 | COc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][=C][Ring2][Ring1][Ring2] | c14nc(C)cc(C)c1C#N.c15ccc6cc1.C6(=O)C3.CO5.O34 |
35968 | O=C(CSc1nnnn1-c1ccccc1O)Nc1ccccc1F | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1O.c14ccccc1F.c16nnnn15.O=C2C3.S36.N24 |
35969 | COc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | C5(CC3=O)C(C)C.c14ccc5cc1.N13CCOCC1.CO4 |
35970 | CCOC(=O)Cn1c(C)c(Br)c(=O)c2cccc(C)c21 | [C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][=C] | n15c(C)c(Br)c(=O)c2cccc(C)c21.C3(=O)C5.CC4.O34 |
35971 | COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 | [C][O][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][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.c15ccccc16.N16CCCC1.C37=O.CO4.N35 |
35972 | O=C1c2ccccc2NC(c2ccccc2F)N1Cc1ccco1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1c2ccccc2NC5N13.c15ccccc1F.c14ccco1.C34 |
35973 | Cc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc6n1.c17ccc5cc1.C37=O.C4(C)C.N36.O45 |
35974 | CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C#N)S3 | [C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Ring1][#Branch1][Ring1][S][C][C][Branch1][Ring1][C][#N][S][Ring1][#Branch2] | CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C#N)S3 |
35978 | COc1ccc(C2CC(c3cccc(OC)c3)=Nc3nnnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=N][N][=N][N][Ring1][Branch1][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c14ccc(C2CC(c3cccc5c3)=Nc3nnnn32)cc1.CO4.O5C |
35979 | O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(F)cc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n16nnc2ccccc21.c15ccc(F)cc1.O=C3C6.C4C5=O.O34 |
35980 | COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15cc6ccc17.c19cccnc1.c18ccco1.C39=O.C48=O.CO5.N36.N47 |
35981 | Cc1cc(C)n(CC(=O)N2CCC(C(N)=O)CC2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][=Ring2][Ring1][C] | Cc1cc(C)n5n1.N13CCC4CC1.C5C3=O.C4(N)=O |
35982 | CSc1nn(C)c2nc3sc4c(c3c(=O)n12)CCCC4 | [C][S][C][=N][N][Branch1][C][C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=C][Ring1][#Branch2][C][C][C][C][Ring1][#Branch2] | c15nn(C)c2nc3sc4c(c3c(=O)n12)CCCC4.CS5 |
35983 | COc1ccccc1NC(=O)CSc1nc2ccc(N)cc2s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c17nc2ccc(N)cc2s1.c14ccccc16.C3(=O)C5.CO4.N36.S57 |
35985 | Cc1cc(C)nc(NC(=O)CSc2ncccn2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.c16ncccn1.C3(=O)C4.N35.S46 |
35987 | COc1ccc(CCNc2ncnc3c2[nH]c2ccc(F)cc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c16ncnc2c1[nH]c1ccc(F)cc12.c14ccc7cc1.C7C5.CO4.N56 |
35988 | Cc1ccc(C2(CC(=O)N3CCOCC3)CCOC(C(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | C167CCOC5C1.Cc1ccc7cc1.N14CCOCC1.C6C4=O.C5(C)C |
35989 | COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCOC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][N][=C][N][Branch1][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][S][Ring1][#Branch2][C][C][O][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c16cc2nc3n(c(=O)c2s1)CCOC3.c15ccc6cc1.CO5 |
35990 | COC(=O)C1CCc2nc3cc(-c4ccccc4)sc3c(=O)n21 | [C][O][C][=Branch1][C][=O][C][C][C][C][=N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][Ring2][Ring1][Ring1] | C5(=O)C1CCc2nc3cc6sc3c(=O)n21.c16ccccc1.CO5 |
35991 | CCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)cc4)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccc(Cl)cc1.C57=O.CC6.O56 |
35992 | COc1cc2c(cc1OC)-c1nnc(C(F)(F)F)n1C(C)(C)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1] | c13cc2c(cc14)-c1nnc5n1C(C)(C)C2.C5(F)(F)F.CO3.O4C |
35993 | Cc1ccc2[nH]c3c(NCC(C)C)ncnc3c2c1 | [C][C][=C][C][=C][NH1][C][=C][Branch1][Branch2][N][C][C][Branch1][C][C][C][N][=C][N][=C][Ring1][O][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2[nH]c3c5ncnc3c2c1.C4C(C)C.N45 |
35995 | NC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c15cc6nc3n1.c16ccccc1.c14ccccc1.NC5=O.O34 |
35997 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)cc2N)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Ring1][P][C] | c13c4c(C)n5c1C.c15ccc(C)cc1N.CC3=O.C4(C)=O |
35999 | c1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15nnc2sc6nn12.c1ccc5cc1.c16cccnc1 |
36000 | Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c16cccnc1.C5(C)C3=O.S57.N34.C46 |
36001 | COc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | c13ccccc15.c17ccc6cc1.S4(C)(=O)=O.C27=O.N46C.CO3.N25 |
36002 | Cc1ccc(SCCC(=O)Nc2cccnc2)cc1 | [C][C][=C][C][=C][Branch1][P][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c15cccnc1.C4CC3=O.S46.N35 |
36003 | Cc1ccc(SCCC(=O)NCc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c16cccnc1.C5CC3=O.S57.N34.C46 |
36004 | Cc1ccc(SCCC(=O)NCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c16ccncc1.C5CC3=O.S57.N34.C46 |
36006 | CN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O | [C][N][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][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O] | C4CC1=CCCCC1.c16ccc7cc1.S5(C)(=O)=O.CN56.C37=O.N34 |
36007 | CN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O | [C][N][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][=C][Ring2][Ring1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | N14CCc2ccccc2C1.c16ccc7cc1.S5(C)(=O)=O.CN56.C47=O |
36009 | Cc1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | Cc1ccccc17.c16ccc5cc1.S4(C)(=O)=O.C26=O.N45C.C37.N23 |
36013 | COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c15ccccc14.C25=O.N34C.CO2 |
36014 | CC(C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc15.CC3C.C26=O.N45C.N23 |
36015 | CCN(CC)C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c17ccccc16.N234.C27=O.N56C.CC3.C4C |
36016 | CN(c1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc16.C15CCCCC1.S3(C)(=O)=O.CN34.C26=O.N25 |
36017 | CN(c1ccccc1C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc16.c15cccc(Cl)c1.S3(C)(=O)=O.CN34.C26=O.N25 |
36018 | CN(c1ccccc1C(=O)N1CCCCC1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc15.N12CCCCC1.S3(C)(=O)=O.CN34.C25=O |
36019 | CN(c1ccccc1C(=O)N1CCCC1)S(C)(=O)=O | [C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc15.N12CCCC1.S3(C)(=O)=O.CN34.C25=O |
36020 | COc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c14cccc6c1.c18ccccc17.S5(C)(=O)=O.C38=O.N57C.CO4.N36 |
36021 | CN(Cc1ccccc1)C(=O)c1ccccc1N(C)S(C)(=O)=O | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.c17ccccc1.S4(C)(=O)=O.CN23.C26=O.N45C.C37 |
36022 | COc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c18ccccc17.S5(C)(=O)=O.C38=O.N57C.CO4.N36 |
36024 | CC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 | [C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.c17cccs1.C6C3=O.CC5=O.N34.C47 |
36025 | CC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 | [C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.c17ccco1.C6C3=O.CC5=O.N34.C47 |
36026 | CC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12 | [C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.C17CCCO1.C6C3=O.CC5=O.N34.C47 |
36027 | CCN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] | CCN1C(=O)Cc2cc(S4(=O)=O)ccc21.N14CCOCC1 |
36028 | CC1=C(C(=O)N(C)C)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring1][P] | CC1=C(C3=O)C4NC(=O)N1.c14cccs1.N3(C)C |
36033 | N#Cc1cn(CC(=O)NC2CCCC2)c2ccc(Br)cc12 | [N][#C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | N#Cc1cn5c2ccc(Br)cc12.C14CCCC1.C5C3=O.N34 |
36038 | N#Cc1cn(CC(=O)NCc2cccs2)c2ccccc12 | [N][#C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.c16cccs1.C5C3=O.N34.C46 |
36039 | CC1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2] | n15cc(C#N)c2ccccc21.CC1CCN4CC1.C4(=O)C5 |
36041 | Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCCC1C | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | Cc1c(C#N)c2ccccc2n14.N13CCCCC1C.C4C3=O |
36042 | COc1ccccc1OCCn1c(C)c(C#N)c2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n16c(C)c(C#N)c2ccccc21.c14ccccc15.C3C6.CO4.O35 |
36044 | Cc1c(C#N)c2ccccc2n1CC(=O)NC1CCCC1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | Cc1c(C#N)c2ccccc2n15.C14CCCC1.C5C3=O.N34 |
36045 | Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC(C)CC1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | Cc1c(C#N)c2ccccc2n14.N13CCC(C)CC1.C4C3=O |
36046 | CCc1cccc2c(C#N)cn(CC(=O)NCC3CCCO3)c12 | [C][C][C][=C][C][=C][C][C][Branch1][Ring1][C][#N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][Branch1][=Ring1][P] | c18cccc2c(C#N)cn6c12.C17CCCO1.C6C4=O.CC8.N45.C57 |
36047 | CCc1cccc2c(C#N)cn(CC(=O)NCc3cccs3)c12 | [C][C][C][=C][C][=C][C][C][Branch1][Ring1][C][#N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Branch1][=Ring1][P] | c18cccc2c(C#N)cn6c12.c17cccs1.C6C4=O.CC8.N45.C57 |
36048 | CCc1cccc2c(C#N)cn(CC(=O)NC3CCCC3)c12 | [C][C][C][=C][C][=C][C][C][Branch1][Ring1][C][#N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring2][=Ring1][S] | c17cccc2c(C#N)cn6c12.C15CCCC1.C6C4=O.CC7.N45 |
36049 | CCN(CC)C(=O)Cn1cc(C(=O)OC)c2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n18cc7c2ccccc21.C4(=O)C8.N456.C37=O.CC5.C6C.O3C |
36051 | COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c15ccccc1.C2(=O)C3.N345.CO2 |
36052 | CCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c18ccc6cc1.c17ccccc1.C4C3=O.S5(C)(=O)=O.N456.CC8.N37 |
36054 | CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c15ccccc1.C2(=O)C3.N345.CN2 |
36055 | NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.c14ccccc1.NC(=O)C2.N234 |
36056 | Cc1ccc(CN(c2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c15ccc6cc1.S4(C)(=O)=O.N345.C6(N)=O.C37 |
36059 | CCOC(=O)Cn1cc(C(=O)OC)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n17cc6c2ccccc21.C3(=O)C7.C46=O.CC5.O35.O4C |
36060 | CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2] | n18cc(C#N)c2ccccc21.C17CCN5CC1.C5(=O)C8.C47=O.CC6.O46 |
36061 | O=C(COC(=O)c1cccnc1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.c16cccnc1.O=C3C4.C26=O.O24.N35 |
36062 | O=C(COC(=O)c1cccnc1)Nc1cc(Cl)ccc1Cl | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c15cc(Cl)ccc1Cl.c16cccnc1.O=C3C4.C26=O.O24.N35 |
36063 | CS(=O)(=O)N1CCN(c2ccccc2N)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][=N] | N13CCN4CC1.c14ccccc1N.CS3(=O)=O |
36064 | CN(C)c1ccc(C(=O)OCC(=O)c2cccs2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | c15ccc7cc1.c16cccs1.C4C6=O.CN5C.C37=O.O34 |
36065 | CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccs2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | c16ccc8cc1.c17cccs1.CCC4=O.C5C7=O.C38=O.N46.O35 |
36066 | CC(=O)Nc1cc(C(=O)OCC(=O)c2cccs2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][P][C] | c16cc8ccc1C.c17cccs1.C5C7=O.CC4=O.C38=O.N46.O35 |
36067 | COC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c17cn8c2ccccc12.c15ccccc16.C37=O.C8C4.CO3.O45.O6C |
36068 | COC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c16cn7c2ccccc12.c18cccs1.C7C4=O.C36=O.CO3.N45.C58 |
36069 | COC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c16cn7c2ccccc12.C18CCCO1.C7C4=O.C36=O.CO3.N45.C58 |
36071 | Cc1ccc(N2CC(C(=O)OCc3ccccc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17ccccc1.C46=O.O45.C57 |
36072 | O=C(OCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c16ccccc1Cl.C15CC(=O)N7C1.c17ccccc1.O=C35.O34.C46 |
36073 | O=C(OCc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c16ccc(F)cc1.C15CC(=O)N7C1.c17ccccc1.O=C35.O34.C46 |
36074 | CCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cnc2ccccc2n1.c15cccc6c1.CCC4=O.N45 |
36076 | CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)C(C)(C)C | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15ccccc16.C4C(=O)C(C)(C)C.CC(C)C3=O.C26=O.N35.O24 |
36077 | COc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][C][=C][Ring1][P] | c15ccc(C#N)c(C#N)c1.c13ccc4cc1.CO3.O45 |
36078 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c17ccc2nc6sc2c1.c18ccc(C)c(C)c1.CC4=O.C58=O.N47.N56 |
36079 | CCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c15ccc(Cl)cc1.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
36081 | CCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2] | c16ccc8cc1.n17nnc5n1.c18ccccc1.C46=O.CC7.N45 |
36082 | CC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][=C][Ring1][#C][Cl] | c16nc2ccccc2[nH]1.c15cc6ccc1Cl.CC4=O.N45 |
36084 | COc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][Cl] | c14c(Cl)cc6cc1Cl.c15cccnc1.C36=O.CO4.N35 |
36085 | Cc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Ring1][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n16nc2ccc5cc2n1.Cc1ccc6cc1.C4(=O)C(C)C.N45 |
36086 | Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S3(=O)=O)cc1.c14ccccc15.C5(N)=O.N34 |
36087 | COc1ccc(-c2cc(C3CC3)nc(SCC(N)=O)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][=C][C][#N][C][=C][Ring2][Ring1][=Branch1] | c18cc7nc6c1C#N.c14ccc8cc1.C5C(N)=O.C17CC1.CO4.S56 |
36088 | COC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | C16C(=O)NCCN14.C2(=O)C6.C5(C)(C)C.C34=O.CO2.O35 |
36089 | COc1ccccc1C(=O)Nc1cccc(C#N)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | c14cccc(C#N)c1.c13ccccc15.C25=O.CO3.N24 |
36090 | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc(S5(=O)=O)cc1.c14ccc7cc1.C37=O.N5(C)C.CO4.N36 |
36092 | CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1ccc5cc1.c16ccc(Cl)cc1.CN4C.C36=O.N35 |
36094 | Cc1cccc(C)c1OCc1nnc(CCc2ccccc2)o1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | Cc1cccc(C)c14.c15nnc6o1.c17ccccc1.C6C7.O34.C35 |
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