ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL1367708 | CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n17cc5c2ccccc21.c16ccccc1F.C3(=O)C7.C56=O.CC4.O34 |
CHEMBL1367709 | O=C(NCc1ccccc1)c1cnc(Cl)c(Cl)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cnc(Cl)c(Cl)c1.c15ccccc1.O=C24.N23.C35 |
CHEMBL1367710 | CN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [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] | CN1C(=O)Cc2cc(S4(=O)=O)ccc21.N14CCOCC1 |
CHEMBL1367711 | CCC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][Ring2][Ring1][C] | N14CCN5CC1.c16ccc(Cl)cc1.c15nc6cs1.CCC4=O |
CHEMBL4942670 | CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2ccnn2C)c2ccccc21 | [C][C][Branch1][C][C][C@@H1][C][C@@H1][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CC(C)C1CC(C3)c2ccccc21.S4(=O)(=O)c1ccnn1C.N34 |
CHEMBL1367712 | CCOc1ccc2nc(N=C(N)N=C(S)Nc3cccc(OC)c3)nc(C)c2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch2][N][=C][Branch1][C][N][N][=C][Branch1][C][S][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][Branch1][C][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] | c15ccc2nc(N=C(N)N=C(S)N7)nc(C)c2c1.c17cccc6c1.CC4.O45.O6C |
CHEMBL1367713 | COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] | c16cccc2c(=O)n7ccc12.N15CCCc2ccccc21.C7C5=O.CO6 |
CHEMBL1367990 | CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCNCC3)C2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][\N][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] | N18C(=O)NC(=O)C(=CN6)C1=O.c15ccc8cc1.N17CCNCC1.C6C7.CC4.O45 |
CHEMBL1367991 | CCn1c(SCc2ccc(Cl)cc2)nc2nc3c(cc2c1=O)CCCC3 | [C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O][C][C][C][C][Ring1][#Branch2] | n15c7nc2nc3c(cc2c1=O)CCCC3.c16ccc(Cl)cc1.CC5.S47.C46 |
CHEMBL4942735 | Cc1ccc(-c2nc(N)nc3[nH]ncc23)c(-n2cccn2)c1 | [C][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][C][N][=N][C][NH1][N][=C][C][Ring1][#Branch2][=Ring1][Branch1][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c15nc(N)nc2[nH]ncc12.Cc1ccc5c4c1.n14cccn1 |
CHEMBL4942737 | Cc1ccc2nsnc2c1N1CC1=O | [C][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][Ring1][Ring1][=O] | Cc1ccc2nsnc2c13.N13CC1=O |
CHEMBL4942738 | Cc1cc(NCc2c(C)noc2C)nc(C2CC2)n1 | [C][C][=C][C][Branch1][=C][N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C] | Cc1cc4nc6n1.c15c(C)noc1C.C16CC1.N34.C35 |
CHEMBL4942739 | O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]1c1ccsc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][C][C][C][C@H1][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] | O=C1c2ccccc2C(=O)N14.N13CCCC15.c15ccsc1.C4C3 |
CHEMBL4942740 | COc1ccc(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][S][O][C][=C][Ring2][Ring1][=N] | c1%10ccc8cc1O.c19ccc(Cl)c(Cl)c1.c15ccc6cc1.c17cn[nH]c1%10.CO5.O67.O48.C49 |
CHEMBL4942741 | CC(=O)Nc1ccccc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc2ccccc2c1.S5(=O)(=O)c1ccc2ccccc2c1.c16ccccc17.CC3=O.N457.N36 |
CHEMBL1368115 | COc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2c6c[nH]c2c1.N15CC(C)OC(C)C1.C6(=O)C5.CO4 |
CHEMBL1368116 | COC(=O)c1cn(NC(=O)c2cnccn2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c15cn(NC4=O)c(=O)c2ccccc12.c14cnccn1.C35=O.CO3 |
CHEMBL1368117 | Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(Br)c(C)c4)CC3)sc2n1 | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][P][S][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O] | Cc1cc(=O)n2nc6sc2n1.c17ccc(Br)c(C)c1.N16CCC8CC1.C58=O.N57 |
CHEMBL1368118 | O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][NH1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc2[nH]c7nc2c1.c17ccco1.c16ccco1.O=C46.N45 |
CHEMBL4942820 | CCC(C)(C)NC(=O)CN1CCCC(C)(C)CC1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2] | N14CCCC(C)(C)CC1.CCC3(C)C.C2(=O)C4.N23 |
CHEMBL1368394 | Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch2][Ring1][S][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring1][#Branch2] | Cc1cc(=O)oc2c(C)c7ccc12.N15CCC89CC1.c19ccccc1.C6C5=O.C8(=O)O.O67 |
CHEMBL1368395 | COc1ccc(CNc2ccnc(-c3ccccc3CN(C)C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=N][Ring1][S][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] | c14ccc9c5c1.c18ccnc%11n1.c1%11ccccc1%10.N7(C)C.CO4.C69.N68.C7%10.O5C |
CHEMBL4942869 | CO[C@H]1CCN(c2cc3nncn3c(C)n2)CC1(C)C | [C][O][C@H1][C][C][N][Branch1][P][C][=C][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][=N][Ring1][#Branch2][C][C][Ring1][S][Branch1][C][C][C] | c15cc2nncn2c(C)n1.C14CCN5CC1(C)C.CO4 |
CHEMBL1368524 | C/C=C1/CN2C3CC1C(CO)(C(=O)OC)C2Cc1c3n(C)c2ccccc12 | [C][/C][=C][/C][N][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][C][=C][Ring1][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | C1=6CN2C3CC1C57C2Cc1c3n(C)c2ccccc12.C45=O.CC=6.C7O.O4C |
CHEMBL1368525 | CC(=O)c1ccc(OCc2cc(C(=O)NC(C)c3cnn(C)c3)no2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][O][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][O][Ring1][S][C][=C][Ring2][Ring1][Branch2] | c19ccc6cc1.c1%10cc8no1.c1%11cnn(C)c1.CC9=O.C48=O.C7%11C.O56.C5%10.N47 |
CHEMBL1368527 | COc1ccc(C(=O)NC(=S)N2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | N3C(=S)N1CCCCC1.c14ccc5cc1.C35=O.CO4 |
CHEMBL4942937 | O=C(c1cccnc1)N1CCCC1CC(O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccnc1.N12CCCC14.c15ccccc1.C4C5O.O=C23 |
CHEMBL4942938 | Cc1cnccc1NC(=O)CC1CCCCC1 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1] | Cc1cnccc13.C14CCCCC1.C2(=O)C4.N23 |
CHEMBL1368528 | CCC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] | c1%12ccc7cc1.c18cccc%10c1.c19ccc%11cc1.CCC%12C.C6C4=O.C5%10=O.C%11(=O)O.O67.N48.N59 |
CHEMBL1368529 | Cc1oc(-c2ccccc2)nc1CSc1nc(O)c2c(n1)CCC2 | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][S][C][=N][C][Branch1][C][O][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][Ring1][=Branch1] | c15nc(O)c2c(n1)CCC2.Cc1oc6nc14.c16ccccc1.C34.S35 |
CHEMBL1368666 | Cc1cc(NC(=O)CN2CCOCC2)n(-c2nc3ccccc3s2)n1 | [C][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring2][Ring1][Branch2] | c17nc2ccccc2s1.Cc1cc6n7n1.N15CCOCC1.C4(=O)C5.N46 |
CHEMBL4943001 | Clc1ccc2c(Cc3nnn[nH]3)c[nH]c2c1 | [Cl][C][=C][C][=C][C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][NH1][C][Ring1][O][=C][Ring1][#C] | Clc1ccc2c5c[nH]c2c1.c14nnn[nH]1.C45 |
CHEMBL4943002 | O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H]1C(F)(F)F | [O][=C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C@H1][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] | c15ccc2[nH]c(=O)[nH]c2c1.N13CCC14.O=C3C5.C4(F)(F)F |
CHEMBL4943003 | COc1cccc2c1OC[C@@H](C(=O)N1CCN(c3ccccn3)CC1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring2] | c15cccc2c1OCC7C2.N14CCN6CC1.c16ccccn1.C47=O.CO5 |
CHEMBL4943005 | CC(C)N1CC2(CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[C@H]1c1ccccc1 | [C][C][Branch1][C][C][N][C][C][Branch2][Ring1][P][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N17CC2(CCN5CC2)C19.c18ccc2c(c1)OCCO2.c19ccccc1.CC7C.C56=O.N68 |
CHEMBL1368667 | O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2oc7nc2c1.c16ccc2c(c1)OCCO2.c17cccnc1.O=C46.N45 |
CHEMBL1368792 | Cc1ccc(C(=O)CC(=O)COc2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C5(=O)CC(=O)C3.c14ccc(Cl)cc1.O34 |
CHEMBL1368793 | CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C2CCCC2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1] | c16ccc(C)c(C)c1.N13CCC7CC1.C18CCCC1.CC3=O.N478.C45=O.N56 |
CHEMBL1368794 | Sc1ncnc2scc(-c3ccc(Br)cc3)c12 | [S][C][=N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][S][=Ring1][N] | Sc1ncnc2scc4c12.c14ccc(Br)cc1 |
CHEMBL4943083 | CC(C)(C)c1cnc(Cn2nc(C(F)(F)F)ccc2=O)o1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][O][Ring1][P] | n13nc6ccc1=O.c14cnc5o1.CC4(C)C.C6(F)(F)F.C35 |
CHEMBL4943084 | Cc1nc(NC(=O)c2ccc(OC3CCOCC3)nc2)sc1C(=O)N(C)C | [C][C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][=N][S][C][=Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc8sc19.c1%10ccc6nc1.C17CCOCC1.C4%10=O.C59=O.N5(C)C.N48.O67 |
CHEMBL4943085 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2cnc3ccccc3n2)CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][C][Branch1][S][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][P] | c16cnc2ccccc2n1.c18cccc9c1.N15CCC7CC1.C9(F)(F)F.O=C45.N48.O67 |
CHEMBL1368795 | CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc2[nH]cc9c(=O)c2c1.c17ccccc1.C18CCCCC1.N567.C49=O.CC5.N48 |
CHEMBL1368796 | C=CCN1CC(c2nc3ccccc3n2Cc2ccccc2)CC1=O | [C][=C][C][N][C][C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=O] | c17nc2ccccc2n14.N15CC7CC1=O.c16ccccc1.C=CC5.C46 |
CHEMBL1369064 | COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1cc(C)ccc15.c19ccccc17.C18CCN6CC1.C39=O.C48=O.CO3.N47.O5C |
CHEMBL1369065 | O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1 | [O][=C][Branch2][Ring2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18ccc(F)c(S7(=O)=O)c1.N17CCOCC1.c19ccccc1.O=C4C5.C38=O.C6C9.O35.N46 |
CHEMBL4943150 | CN1CCN([C@H]2COC[C@@H]2NC(=O)c2cncc(Cl)c2)CC1 | [C][N][C][C][N][Branch2][Ring1][Branch2][C@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] | CN1CCN4CC1.c16cncc(Cl)c1.C14COCC15.C36=O.N35 |
CHEMBL4943152 | O=C(NCc1cn(-c2ccsc2)nn1)NCc1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][N][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=N][Ring1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1] | c17cn9nn1.c19ccsc1.c18cccs1.O=C34.N35.C57.N46.C68 |
CHEMBL4943153 | CC(C)C(=O)NCCCNC(=O)NCC1(C)CCC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][Branch1] | CC(C)C2=O.C18(C)CCC1.C5CC6.C34=O.N25.N36.N47.C78 |
CHEMBL1369067 | Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c(=O)cc5c2ccccc21.N13CCCC1.C4C3=O.S45 |
CHEMBL1369197 | CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl | [C][C][N][Branch1][Ring1][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][/C][=C][Branch1][C][/C][Cl] | c17nc2c(c(=O)n(C)c(=O)n2C)n19.N345.C5C6.C9C=8.C=8(C)Cl.CC3.C4C.N67 |
CHEMBL4943217 | O=C(O)Cc1ccccc1CN1CCOCC1CC1CCCO1 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1] | c15ccccc16.N12CCOCC13.C14CCCO1.O=C(O)C5.C26.C34 |
CHEMBL4943218 | CN(C(=O)c1coc(CNC(=O)OC(C)(C)C)c1)c1ccccc1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18coc9c1.c17ccccc1.C5(C)(C)C.CN37.C38=O.C24=O.C69.N46.O25 |
CHEMBL4943219 | CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O][O][C][=C][Ring2][Ring1][#Branch2] | S9(=O)(=O)c1ccc%11cc18.c16ccc7c%10c1.c1%11ccno1.CC4.O46.O57.C5C.N9%10.O8C |
CHEMBL1369199 | O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2O)CC1 | [O][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][P][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N] | c16ccc(Cl)c(S4(=O)=O)c1.N14CCCCCC1.N13CCN5CC1.c15ccccc1O.O=C36 |
CHEMBL1369200 | O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c17ccccc16.c15nc8cs1.c18ccccc1.O=C37.N35.N46 |
CHEMBL1369471 | Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1C | [C][C][=C][C][Branch2][Ring1][O][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Branch2][C] | Cc1cc(C=6)c(C)n1C.c17c[nH]c2ccccc12.C=6(C#N)C4=O.C5C7.N45 |
CHEMBL1369472 | CC(NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)O | [C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O] | c15ccccc1Br.C2(=O)C=6N3.C=6c1ccco1.CC4C(=O)O.C35=O.N24 |
CHEMBL4943277 | COc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][O][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][N][=N][Ring2][Ring1][#Branch1] | c16ccc7nn1.c1%10ccc(F)cc1.C18CCN4C1.C45=O.CO6.O78.N59.C9%10 |
CHEMBL4943278 | COc1ccc(Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)nn2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][=N][Ring2][Ring1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] | c15ccc8c6c1.c17ccc9nn1.c1%10ccc(C)cc1.c19nc%10no1.CO5.N78.O6C |
CHEMBL4943279 | Cc1ccc(CN(C)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)o1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][#Branch2] | c16sc8nc19.Cc1ccc7o1.c19ccccc1.c18ccco1.N45C.C46=O.C57 |
CHEMBL4943281 | O=C1CN(C(=O)NCC2(Cc3ccccc3)CCC2)CCN1 | [O][=C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][C][N][Ring2][Ring1][Branch1] | O=C1CN4CCN1.c19ccccc1.C178CCC1.C45=O.N56.C67.C89 |
CHEMBL4943282 | CCc1ncc(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)o1 | [C][C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][Ring1] | c16ccc2c(c1)C(C)CO2.c17ncc8o1.C46=O.CC7.C58.N45 |
CHEMBL4943283 | Cc1n[nH]c(C)c1CN1CCC[C@H](CNC(=O)NC2CCCC2)C1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][S] | Cc1n[nH]c(C)c19.N15CCCC8C1.C17CCCC1.C34=O.C59.C68.N36.N47 |
CHEMBL4943284 | CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2cccc3c2OCCO3)C1 | [C][O][C@@H1][C][C@@H1][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][N][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][Branch2] | c16cccc2c1OCCO2.C14CC7N5C1.c17nc8n[nH]1.C18CC1.CO4.C56 |
CHEMBL1369473 | COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C] | n14c(C)nc(=O)c5c1C.c15ccccc1.C3(=O)C4.CO3 |
CHEMBL1369474 | Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][N][O][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][Ring2][Ring1][Branch1][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.Cc1cccc5c1C.O45 |
CHEMBL1369475 | O=C(O)CNC(=O)/C=C/c1c(Cl)cccc1Cl | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | C=4c1c(Cl)cccc1Cl.O=C(O)C3.C2(=O)C=4.N23 |
CHEMBL1369766 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] | Cc1ccc(S8(=O)=O)cc1.N18CCC%10CC1.c19nnc%11s1.c17ccccc1.C5%10=O.N59.C6%11.O67 |
CHEMBL4943353 | Cn1cc(C(=O)N2CCc3c(C#N)cccc32)c(C2CC2)n1 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][Ring1][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1] | N14CCc2c(C#N)cccc21.Cn1cc5c6n1.C45=O.C16CC1 |
CHEMBL1369767 | CC1CC2=C(N=C(S)NC2c2ccccc2F)/C(=C/c2ccccc2F)C1 | [C][C][C][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][C][S][N][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][/C][=Branch1][O][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][#Branch2] | CC1CC=3C2=C(C1)C4NC(S)=N2.C=3c1ccccc1F.c14ccccc1F |
CHEMBL1369768 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)cc3)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][Ring2][Ring1][=Branch2] | c18c(C)oc2ccc7cc12.S6(=O)(=O)c1ccc(C)cc1.c19ccncc1.C48=O.N567.C59=O.CO4 |
CHEMBL1369769 | Cc1ccc(-c2nnc3ccccc3c2C(=O)Nc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch2] | c17nnc2ccccc2c16.Cc1ccc7cc1.c15ccccc1F.C46=O.N45 |
CHEMBL1369770 | C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCc1ccco1 | [C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | C1%10Cc2ccccc2CN15.CC8C6=O.c1%11ccco1.C7(C)(C)C.C4%10=O.C35=O.N48.O37.N69.C9%11 |
CHEMBL4943433 | O=C(c1ccc(F)c(O)c1)N1C[C@@H]2[C@H]3CC[C@H](CC3)[C@@H]2C1 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C@@H1][C@H1][C][C][C@H1][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Ring1][Branch2][C][Ring1][O] | N14CC2C3CCC(CC3)C2C1.c15ccc(F)c(O)c1.O=C45 |
CHEMBL4943434 | COc1ccc(C)cc1S(=O)(=O)C1CS(=O)(=O)CC1N1CCN(c2ccccc2)CC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c13ccc(C)cc1S(=O)(=O)C1CS(=O)(=O)CC15.N15CCN4CC1.c14ccccc1.CO3 |
CHEMBL4943435 | O=C(COc1ccc(Br)cc1Br)N(Cc1ccccc1)C1CC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c14ccc(Br)cc1Br.c17ccccc1.O=C2C3.N256.C16CC1.O34.C57 |
CHEMBL4943436 | Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)Nc2ccccc2)CC3)cn1 | [C][C][=C][N][=C][Branch2][Ring2][Ring2][C][N][C][C][Branch1][#Branch1][C][C][C][Ring1][=Branch1][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][N] | N17CC2(CCC1=O)CCN4CC2.Cc1cnc8cn1.c16ccccc1.C45=O.C78.N56 |
CHEMBL4943437 | CCC[C@H]1CN(Cc2nnc(C)n2C)C[C@@H]1NC(=O)C1CCC1 | [C][C][C][C@H1][C][N][Branch1][=N][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C@@H1][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2] | C18CN4CC15.c17nnc(C)n1C.C16CCC1.CCC8.C36=O.C47.N35 |
CHEMBL4943439 | O=c1[nH]c(N2C[C@H](CO)C[C@H](CO)C2)nc2c1Cc1ccccc1OC2 | [O][=C][NH1][C][Branch1][P][N][C][C@H1][Branch1][Ring1][C][O][C][C@H1][Branch1][Ring1][C][O][C][Ring1][#Branch2][=N][C][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O] | O=c1[nH]c3nc2c1Cc1ccccc1OC2.N13CC4CC5C1.C4O.C5O |
CHEMBL4943440 | O=C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCCCCCN1 | [O][=C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][C][C][C][N][Ring2][Ring1][Branch2] | S4(=O)(=O)c1ccc2c(c1)OCCO2.O=C1CCN4CCCCCCN1 |
CHEMBL4943441 | CN(CCC1CCOCC1)C(=O)Nc1ccc(F)cn1 | [C][N][Branch1][O][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] | c15ccc(F)cn1.C16CCOCC1.CN24.C4C6.C23=O.N35 |
CHEMBL1370349 | Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccc3ccccc23)s1 | [C][C][=N][N][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring2][Ring1][=N] | N15C(=O)C(O)=C(C4=O)C16.c16cccc2ccccc12.Cc1nnc5s1.c14ccco1 |
CHEMBL1370350 | COc1cccc(CNC(=O)CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][Ring1][=C][=O][=C][Ring2][Ring1][O] | N18C(=O)C2Cc3ccccc3CN2C1=O.c16cccc9c1.C5(=O)CC8.CO6.C79.N57 |
CHEMBL1370539 | COc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c16cccc8c1.C3(=O)CCC4=O.C17CCCCC1.C8(=O)C5.CO6.O35.N47 |
CHEMBL1370540 | CN(C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1 | [C][N][Branch1][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.C14CCCCC1.C35C2=O.CN3C.N24 |
CHEMBL4943513 | CC[C@H]1CCCCN1C(=O)CN1CCCC1=O | [C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O] | C14CCCCN12.N13CCCC1=O.C2(=O)C3.CC4 |
CHEMBL4943515 | COc1cc(NC(=O)N2CC[C@H](c3nnc(C)o3)C2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c16cc7cc8c1.N15CCC9C1.c19nnc(C)o1.C45=O.CO6.N48.O7C |
CHEMBL4943516 | COC(=O)CC(C)(C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F] | S4(=O)(=O)c1c(F)c(F)cc(F)c1F.C2(=O)CC3(C)C.CO2.N34 |
CHEMBL1370542 | CCc1nnc2c3ccccc3nc(N3CCN(c4cc(C)ccc4C)CC3)n12 | [C][C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][N][Ring2][Ring1][O][Ring2][Ring1][Branch2] | c17nnc2c3ccccc3nc5n12.c16cc(C)ccc1C.N15CCN6CC1.CC7 |
CHEMBL1370543 | CCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | c1%10cc9c2ccccc2n1.c16ccc%10cc1.N18CCOCC1.C7CC8.C49=O.CC5.O56.N47 |
CHEMBL1370650 | Cc1cc(N2CCc3ccccc32)n2ncnc2n1 | [C][C][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][C] | Cc1cc4n2ncnc2n1.N14CCc2ccccc21 |
CHEMBL4943599 | Clc1cccc2c1CC[C@@H]2NCc1csc(-c2ccccn2)n1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Ring1][Branch1][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] | Clc1cccc2c1CCC2N3.c14csc5n1.c15ccccn1.C34 |
CHEMBL4943600 | Cc1nnc([C@H]2CN(C(=O)c3ccccc3)CC23CCN(Cc2ccccc2)CC3)o1 | [C][C][=N][N][=C][Branch2][Ring2][Branch2][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][O][Ring2][Ring1][=C] | C18CN4CC12CCN5CC2.Cc1nnc8o1.c16ccccc1.c17ccccc1.C46=O.C57 |
CHEMBL4943601 | Cc1nccc(NC(=O)NCc2cccs2)c1Cl | [C][C][=N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S][Cl] | Cc1nccc6c1Cl.c17cccs1.C34=O.N36.N45.C57 |
CHEMBL4943602 | CNC(=O)CN(CC(=O)NC)Cc1ccc(COCc2ccccc2)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c1%11ccc%12cc1.c14ccccc1.C3(=O)C8.C9C5=O.N89%10.CN3.N5C.C%10%11.C6%12.O67.C74 |
CHEMBL4943603 | Cc1cc2ncc3c(n2n1)CCN(C(=O)Nc1ccccc1F)C3 | [C][C][C][=C][N][=C][C][=C][Branch1][#Branch1][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][C] | Cc1cc2ncc3c(n2n1)CCN4C3.c16ccccc1F.C45=O.N56 |
CHEMBL4943604 | COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCc4ccccc43)=C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][O][C] | c16ccc(C2=NS(=O)(=O)N(C)C(C5=O)=C2)cc17.N15CCCc2ccccc21.CO6.O7C |
CHEMBL4943605 | COc1ccccc1N(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1C(F)(F)F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | S6(=O)(=O)c1ccccc19.c13ccccc17.c18cccs1.C4C2=O.C9(F)(F)F.N467.CO3.N25.C58 |
CHEMBL1370651 | Cc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C] | Cc1ccc4cc1.C2C(=O)O.S3(C)(=O)=O.N234 |
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