ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL1369459 | SC1=NCN(Cc2ccccc2)CN1 | [S][C][=N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N] | SC1=NCN3CN1.c14ccccc1.C34 |
CHEMBL1369460 | COCCn1nnnc1C(c1ccccn1)N(CCc1ccccc1)Cc1cccs1 | [C][O][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | n16nnnc17.c18ccccn1.c1%10ccccc1.c19cccs1.C2C6.C378.N345.C4C%10.CO2.C59 |
CHEMBL1369461 | OCC1O[C@H](O)C(Cl)C(O)C1O | [O][C][C][O][C@H1][Branch1][C][O][C][Branch1][C][Cl][C][Branch1][C][O][C][Ring1][=Branch2][O] | C12OC(O)C(Cl)C(O)C1O.OC2 |
CHEMBL1371004 | O=C(O)CSc1nc(-c2ccc(Cl)cc2)nc2c1oc1ccccc12 | [O][=C][Branch1][C][O][C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14nc5nc2c1oc1ccccc12.c15ccc(Cl)cc1.O=C(O)C3.S34 |
CHEMBL4938774 | CC1(Cn2cc(-c3nc(-c4ccncc4)no3)nn2)COC1 | [C][C][Branch2][Ring1][=N][C][N][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][S][C][O][C][Ring2][Ring1][Branch1] | n15cc7nn1.c17nc8no1.c18ccncc1.CC16COC1.C56 |
CHEMBL4938775 | Cn1nccc1COc1ccc(N)cc1F | [C][N][N][=C][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][F] | c13ccc(N)cc1F.Cn1nccc14.C24.O23 |
CHEMBL1371005 | O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)s1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1] | c14ccc2c(c1)CCC2.c15ccc(Br)s1.O=C35.N34 |
CHEMBL1371016 | Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)c1C | [C][C][=N][O][C][Branch2][Ring2][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][C] | S6(=O)(=O)c1ccc8cc1.c19nn%10ccc1=O.Cc1noc7c1C.c1%10ccc(F)cc1.C59=O.N67.N58 |
CHEMBL1371017 | COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c13ccc(Br)cc1C=5.c14c(C)cccc1C.C=5C2=O.CO3.N24 |
CHEMBL1371018 | O=C1c2ccccc2C(=O)N1CCCn1nnc(-c2ccc(N3CCOCC3)cc2)n1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring1][P] | O=C1c2ccccc2C(=O)N16.c17ccc4cc1.n15nnc7n1.N14CCOCC1.C6CC5 |
CHEMBL1371019 | O=C(CCN1CCCC1)c1cccs1 | [O][=C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=C3CC2.N12CCCC1.c13cccs1 |
CHEMBL1371020 | Nc1ccccc1Sc1cc(Cl)nnc1Cl | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl] | c13cc(Cl)nnc1Cl.Nc1ccccc12.S23 |
CHEMBL1371021 | Fc1ccc(CNCc2ccco2)cc1 | [F][C][=C][C][=C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | Fc1ccc6cc1.c15ccco1.C36.N34.C45 |
CHEMBL1371022 | Cc1cc(NC(=O)Nc2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][S] | c16ccc(F)cc1.Cc1cc5no1.C34=O.N35.N46 |
CHEMBL1365087 | CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] | c18ccc(S5(=O)=O)cc1.c17ccc9cc1.c19ccc6nn1.N16CCCCCC1.CC8.N57 |
CHEMBL4939006 | Cc1noc(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C16CCN4CC1.C15CCS(=O)(=O)C1.Cc1noc6n1.C45=O |
CHEMBL4939007 | C[C@@](CO)(NCc1ncc[nH]1)C1CCCCC1 | [C][C@@][Branch1][Ring1][C][O][Branch1][#Branch2][N][C][C][=N][C][=C][NH1][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.CC25CO.c14ncc[nH]1.N23.C34 |
CHEMBL4939008 | Cc1cc(CCNC(=O)[C@H]2CC[C@H](Nc3ncccn3)CC2)nn1C | [C][C][=C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=N][N][Ring2][Ring1][#Branch1][C] | Cc1cc9nn1C.C18CCC7CC1.c16ncccn1.C9C5.C48=O.N45.N67 |
CHEMBL4939009 | O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][C][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S5(=O)c1ccc(Cl)cc1.C16CCCO1.C4CC2.N45.O23.C36 |
CHEMBL4939010 | COc1nccc(N2CCO[C@H](c3ccc(F)cc3)C2)c1C#N | [C][O][C][=N][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][#N] | c14nccc5c1C#N.N15CCOC6C1.c16ccc(F)cc1.CO4 |
CHEMBL1365215 | Cc1cccc(NC(=O)N2CC(=O)Nc3sc4c(c3C2c2ccccc2)CCCC4)c1C | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#C][C][=Ring1][Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][=C][C] | N16CC(=O)Nc2sc3c(c2C1c1ccccc1)CCCC3.Cc1cccc7c1C.C56=O.N57 |
CHEMBL1365216 | O=C(Nc1ccc(N2CCCCC2)cc1)C(Cl)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc5cc1.N15CCCCC1.c16ccccc1.O=C3C6Cl.N34 |
CHEMBL1365217 | O=C(Nc1ccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1)c1cccc(F)c1 | [O][=C][Branch2][Ring2][N][N][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c1%11cc(=O)n2c3c(sc2n1)CCCC3.c18ccc%10cc1.c19cccc(F)c1.O=C69.C5%10=O.N68.O57.C7%11 |
CHEMBL1365218 | Cc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O | [C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=S][N][Branch1][C][C][C][Ring1][#Branch2][=O] | C1=4C(=O)N(C)C(=S)N(C)C1=O.Cc1cc3ccc1C=4.N13CCCCC1 |
CHEMBL4939051 | Cn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1 | [C][N][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=N][Ring2][Ring1][Branch1] | C4C1(O)CCCc2ccccc21.Cn1cc(S5(=O)=O)cn1.N45 |
CHEMBL4939052 | Cc1cccnc1C[C@H](C)N(C)C(=O)Nc1ccccc1N1CCOC1=O | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][Ring1][Branch1][=O] | Cc1cccnc16.c15ccccc17.N17CCOC1=O.C6C4C.N24C.C23=O.N35 |
CHEMBL4939053 | Cc1nc2ccc3c(c2s1)CCCC3 | [C][C][=N][C][=C][C][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][C][Ring1][Branch2] | Cc1nc2ccc3c(c2s1)CCCC3 |
CHEMBL4939054 | CCN(C(=O)c1cccnc1C)[C@H]1CCN(Cc2ccccc2)C1 | [C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c17cccnc1C.C16CCN5C1.c18ccccc1.N346.C37=O.CC4.C58 |
CHEMBL4939055 | CC1CCN(Cn2c(=S)sc3ccccc32)CC1 | [C][C][C][C][N][Branch2][Ring1][C][C][N][C][=Branch1][C][=S][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][P] | n14c(=S)sc2ccccc21.CC1CCN(C4)CC1 |
CHEMBL4939056 | Cc1cc(CNC(C)C2CCCO2)no1 | [C][C][=C][C][Branch1][=C][C][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][=N][O][Ring1][=C] | Cc1cc6no1.C15CCCO1.C45C.C36.N34 |
CHEMBL1365219 | O=C(O)Cn1cc2c(n1)CCCC2 | [O][=C][Branch1][C][O][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | n13cc2c(n1)CCCC2.O=C(O)C3 |
CHEMBL1365220 | NC(=O)CSc1nnc2sc3ccccc3n12 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][Ring1][=Branch2] | c15nnc2sc3ccccc3n12.NC(=O)C4.S45 |
CHEMBL1365221 | CCOC(=O)CCn1cnc2onc(-c3ccccc3Cl)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=N][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2onc7c2c1=O.c17ccccc1Cl.C4(=O)CC6.CC5.O45 |
CHEMBL1365347 | C#CCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 | [C][#C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][S] | c16ccc(=O)n7c1.c18c(Cl)cccc1Cl.C#CC5.C34=O.O35.N46.C78 |
CHEMBL4939121 | CC(C)n1nc(CC(N)=O)nc1-c1ccc(S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(C)(=O)=O)cc1.n12nc3nc14.C3C(N)=O.CC2C |
CHEMBL4939122 | CCOC(=O)N1CCC(NC2CCOC2c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | N14CCC6CC1.C17CCOC18.c18ccccc1.C34=O.CC5.O35.N67 |
CHEMBL1365349 | CC(C)CN(C(=O)CCCc1nc(O)c2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O] | c17nc(O)c2ccccc2n1.c15c(N)n6c(=O)[nH]c1=O.C3(=O)CCC7.c18ccccc1.CC(C)C4.N345.C68 |
CHEMBL1365486 | O=C(Cc1ccc(Br)cc1)NCCN1CCOCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Br)cc1.N14CCOCC1.O=C2C5.C3C4.N23 |
CHEMBL1365606 | CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c16ccc8cc1.C3(=O)C7C(C)C.c19ccccc1Br.C49=O.CC5.O56.N38.N47 |
CHEMBL1365607 | Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc7cc1S6(=O)=O.S5(=O)(=O)c1ccc(Br)cc1.N16CCOCC1.C3(=O)CC4.N37.N45 |
CHEMBL1365608 | O=C(O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O | [O][=C][Branch1][C][O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | c14nc2ccccc2n3c1=O.c15ccccc1.O=C(O)CC4.C3C5 |
CHEMBL4939228 | CNC(=O)c1nc(CN2C(=O)COc3ccc(F)cc32)no1 | [C][N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][N][=N][O][Ring2][Ring1][C] | C6N1C(=O)COc2ccc(F)cc21.c15nc6no1.C45=O.CN4 |
CHEMBL4939229 | C#CCCCC(=O)N(C)c1cccc(N(C)C(=O)CCCC#C)n1 | [C][#C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][#C][=N][Ring1][#C] | C#CCCCC2=O.c14cccc5n1.C3(=O)CCCC#C.N24C.N35C |
CHEMBL4939230 | Cn1ncn(CC(=O)c2cccc(Cl)c2Cl)c1=O | [C][N][N][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring1][S][=O] | c13cccc(Cl)c1Cl.Cn1ncn4c1=O.C4C3=O |
CHEMBL4939231 | O=C(CC[C@H]1CCCOC1)Nc1cnns1 | [O][=C][Branch1][O][C][C][C@H1][C][C][C][O][C][Ring1][=Branch1][N][C][=C][N][=N][S][Ring1][Branch1] | C14CCCOC1.O=C2CC4.c13cnns1.N23 |
CHEMBL4939232 | CCN1CCC(NC(=O)c2ccc3cccnc3c2)(C(F)(F)F)CC1 | [C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][#Branch1] | c17ccc2cccnc2c1.N15CCC68CC1.C8(F)(F)F.C47=O.CC5.N46 |
CHEMBL1365610 | CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Br)c4)cc3)nc2c1 | [C][C][C][=C][C][=C][O][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] | c19ccc2oc%10nc2c1.c18ccc6c(Br)c1.c1%10ccc7cc1.C58=O.CC9.N57.O6C |
CHEMBL1365611 | COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][C][=C][Ring1][=Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] | c18c(C#N)c(N)nc2c1c(C)nn27.c14cc8cc5c16.c17ccc(C)c(C)c1.CO4.O5C.O6C |
CHEMBL1310055 | CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Ring2][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O] | c15cc(C=7)ccc1O.C=7(C#N)C3=O.c16ccccn1.CC4.O45.N36 |
CHEMBL1310056 | Cc1c(NC(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCCO4)C2=O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring2][C][... | c19ccc2c(c1)OCCO2.Cc1c6c(=O)n8n1C.N17C(=O)NC9(C)C1=O.c18ccccc1.C5(=O)C7.N56 |
CHEMBL4939705 | Nc1cc(N2CCO[C@H](c3ccccc3)C2)c(Cl)cn1 | [N][C][=C][C][Branch2][Ring1][Ring1][N][C][C][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1] | Nc1cc4c(Cl)cn1.N14CCOC5C1.c15ccccc1 |
CHEMBL4939706 | Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCC3)CC2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][P] | S6(=O)(=O)c1c(C)[nH]c(C)c19.Cc1ccc7c(Cl)c1.C18CCN6CC1.N15CCCC1.C48=O.C59=O.N47 |
CHEMBL4939707 | COc1ccc(F)c(F)c1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O | [C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Ring1][N][O] | c14ccc(F)c(F)c17.C16CCN5CC1O.C5C3=O.C27=O.N3(C)C.CO4.N26 |
CHEMBL4939708 | CCOC(=O)c1ccc(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][C][Ring1][#C][=S][C][=C][Ring2][Ring1][#Branch2] | c18ccc(Cl)cc1Cl.c1%10ccc9cc1.n1%11nc%12oc1=S.C5(=O)C%11.C4%10=O.CC6.O46.N59.C7%12.O78 |
CHEMBL4939709 | CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1N(C)Cc1ccccc1 | [C][N][Branch1][C][C][C][C@H1][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15OC6C(O)C14.c17ccccc1.CN2C.N34C.C25.C6O.C37 |
CHEMBL4939710 | O=C(C1CCCCCC1)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][Ring2][Ring1][C] | N13CCN4C2CS(=O)(=O)CC21.C15CCCCCC1.c16ccccn1.O=C35.C46 |
CHEMBL4939711 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1c(C)noc1C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | Cc1noc(C)c17.C14COCCC15.c16c(C)noc1C.C26=O.C37.O34.N25 |
CHEMBL4939712 | COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15cc9nc2c1c(=O)n6c(=O)n28.c17cccc(C)c1.c18ccccc14.C35=O.C19CC1.CO3.C67.O4C |
CHEMBL1310057 | CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][=Ring2][Ring1][=Branch1][C] | N16c2ccccc2CC1C.c19[nH]c(C)c%10c1C.C8C6=O.C49=O.C5%10=O.CC7.O47.O58 |
CHEMBL1310058 | N#Cc1cccc(OCC(=O)NC(=O)NCc2ccccc2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | N#Cc1cccc7c1.c19ccccc1.C6C3=O.C45=O.O67.N34.N58.C89 |
CHEMBL1310072 | CC(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c1%10ccc(F)cc1.C3(=O)CCC4=O.c18ccccn1.C2(=O)C6%10.c19ccco1.CC5C.N367.N25.C79.N48 |
CHEMBL4939782 | O=C1N[C@@H](C2CC2)C(=O)N1c1cccc2ccccc12 | [O][=C][N][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c13cccc2ccccc12.O=C1NC4C(=O)N13.C14CC1 |
CHEMBL4939783 | CC(=O)c1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][Ring1][N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | c16nccn2nc9cc12.c18ccc7cc1.N17CCN6CC1.c19ccccc1C.CC8=O |
CHEMBL4939784 | CC(C)n1cc(Br)cc1C(=O)O | [C][C][Branch1][C][C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] | n13cc(Br)cc12.CC3C.C2(=O)O |
CHEMBL4939785 | CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)C | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][C][Branch1][C][C][C] | c1%10ccc(C)cc1.C19CCN8CC1.c1%11ccccc1.CCS7(=O)=O.S8(=O)(=O)C%11.C4C3=O.C6C(C)C.N467.N359.C5%10 |
CHEMBL4939786 | COc1ccc(OCc2nc(-c3ccoc3)no2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C][F] | c15ccc6cc1F.c17nc8no1.c18ccoc1.CO5.O46.C47 |
CHEMBL4939788 | Cc1cc(CNC(=O)N2CCn3ncnc3C2)cc(N2CCCC2)n1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][Branch2] | N15CCn2ncnc2C1.Cc1cc8cc7n1.N17CCCC1.C45=O.C68.N46 |
CHEMBL4939789 | COc1cccc([C@H]2C[C@H](N(C)C(=O)CCCC(F)(F)F)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C][=C][Ring2][Ring1][Branch1] | C3(=O)CCCC(F)(F)F.c14cccc6c1.C16CC5C1.N35C.CO4 |
CHEMBL4939790 | Cc1ccccc1NC(=O)N1CCCC[C@H](c2ccccc2)C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | N14CCCCC6C1.Cc1ccccc15.c16ccccc1.C34=O.N35 |
CHEMBL1310073 | CCC(=O)N(Cc1cc(O)nc2ccccc12)c1cccc(C)c1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16cc(O)nc2ccccc12.c15cccc(C)c1.CCC3=O.N345.C46 |
CHEMBL1305771 | COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][/C][=Branch1][S][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] | N16C(=O)NC(=O)C=5C1=O.C=5c1ccc([N+](=O)[O-])o1.c14ccc7cc1.CO4.C67 |
CHEMBL4939834 | C[C@H](NC(=O)c1cc[nH]c1C1CCC1)c1cn[nH]c1 | [C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring2][C][C][=N][NH1][C][=Ring1][Branch1] | c14cc[nH]c16.c15cn[nH]c1.C16CCC1.CC35.C24=O.N23 |
CHEMBL4939835 | O=C(c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C1CCCCC1 | [O][=C][Branch2][Ring1][=C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c14cn5c2ccccc12.c16c(F)cccc1Cl.C13CCCCC1.O=C34.C56 |
CHEMBL4939836 | CC(NC(=O)CC1CC2CCC1C2)c1nncn1C | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C] | C16CC2CCC1C2.c15nncn1C.C3(=O)C6.CC45.N34 |
CHEMBL4939838 | CCN(Cc1nccn1C)c1ccc(-c2nc(C(C)C)no2)cn1 | [C][C][N][Branch1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][C][=N][Ring1][=C] | c15ccc8cn1.c16nccn1C.c18nc7no1.N345.C7(C)C.CC3.C46 |
CHEMBL4939839 | O=c1ccc(F)cn1CCc1ccc(F)c(F)c1 | [O][=C][C][=C][C][Branch1][C][F][=C][N][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | O=c1ccc(F)cn12.c13ccc(F)c(F)c1.C2C3 |
CHEMBL4939840 | Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)N2CCCc3ccccc32)c(C)n1C | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Branch1][C][C][N][Ring2][Ring1][O][C] | Cc1c6c(S5(=O)=O)c(C)n1C.N15CCCc2ccccc21.N14CCOCC1.C46=O |
CHEMBL4939841 | CCn1cc(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)cn1 | [C][C][N][C][=C][Branch2][Ring1][=C][C][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][S][C][=N][Ring2][Ring1][Branch2] | N15CC2CCC1CN6C2.C16Cc2ccccc2C1.n17cc8cn1.CC7.C58 |
CHEMBL1305774 | Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][O] | S6(=O)(=O)c1c(C)noc1C.Cc1ccc9cc1.c18ccc7cc1.C48=O.C59.N45.N67 |
CHEMBL1305775 | CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO | [C][C][O][C@H1][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@@H1][Ring2][Ring1][Ring1][C][C][C][O] | C15OC(C3=O)=CC(C2CC2)C17.c18ccccc1.C7CCO.CC4.O45.N36.C68 |
CHEMBL1305776 | COc1ccc(CNC(C)(C)C)cc1Cl | [C][O][C][=C][C][=C][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N][Cl] | c12ccc5cc1Cl.C4(C)(C)C.CO2.C35.N34 |
CHEMBL4939888 | COc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)nc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C@H1][Branch1][C][C][C][Ring1][N][N][=C][Ring2][Ring1][Ring2] | N14CCN6CC(C)C1.c15ccc7nc1.C16CCC1.C47=O.CO5 |
CHEMBL4939889 | Cc1cccc(C(=O)N=C(N)Nc2nc3ccccc3s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | c14nc2ccccc2s1.Cc1cccc5c1.C5(=O)N=C(N)N4 |
CHEMBL4939890 | Cc1cccc2c1c(-c1ccc(C(=O)N3CCC[C@H](C#N)C3)cc1)nn2C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][=C][Ring1][S][=N][N][Ring2][Ring1][Branch1][C] | Cc1cccc2c1c6nn2C.N14CCCC(C#N)C1.c16ccc5cc1.C45=O |
CHEMBL4939891 | O=C(Cc1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][Branch2][Ring1][Ring2][C][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][C][C][C][C][Ring1][Branch1] | n15ccc7n1.c16cccs1.C14CCCC1.O=C2C6.C7(F)(F)F.N234.C3C5 |
CHEMBL1305778 | CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12 | [C][C][O][C][=Branch1][C][=O][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] | c19cccc2c(=O)n%10ccc12.N16CCCc2ccccc21.C5(=O)C8.C%10C6=O.CC7.O57.O89 |
CHEMBL1307798 | COc1ccc(-c2nc3cc(C)ccn3c2NCc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][O] | c18nc2cc(C)ccn2c16.c17ccc2c(c1)OCO2.c14ccc8cc1.CO4.N56.C57 |
CHEMBL4940269 | CCCC1(O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 | [C][C][C][C][Branch1][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][#C] | C15(O)CCN3CC1.C14COC(=O)N1.CCC5.C34=O |
CHEMBL4940270 | Cc1cc(N)cc(Br)c1N | [C][C][=C][C][Branch1][C][N][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N] | Cc1cc(N)cc(Br)c1N |
CHEMBL4940271 | Cn1cnnc1C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1 | [C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | C16CCN3CC1.Cn1cnnc16.C3C(C4)C5.c14ccccc1.c15ccccc1 |
CHEMBL4940272 | COc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][=C][Branch2][Ring1][=Branch2][C@H1][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=C][NH1][C][=Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][#Branch2] | c15ccc9cc1.c19nc8[nH]c1C.C18CC(=O)N6C1.c17ccc(C)cc1.CO5.C67 |
CHEMBL4940273 | COc1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc7cc1.N17CCN6CC1.c16nc8cs1.c18ccccc1.CO5 |
CHEMBL4940274 | O=C(NCc1ccno1)c1cccc(Br)c1Cl | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=N][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Cl] | c14cccc(Br)c1Cl.c15ccno1.O=C24.N23.C35 |
CHEMBL4940275 | CCCCn1ccnc1C1CCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1 | [C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][C][Ring2][Ring1][Ring1] | C16CCN3CC1.c14ccccc17.n15ccnc16.c17nnn[nH]1.CCCC5.C34=O |
CHEMBL4940276 | Cc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][NH1][C][Branch1][C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c14n[nH]c(N)c16.c17ccc(C)cc1.C37=O.N45.N36 |
CHEMBL4940277 | Cc1cnc(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring1][P][C][=N][Ring2][Ring1][=Branch2] | Cc1cnc6cn1.N15CCCC7C1.c17nc8no1.C18CCOCC1.C56=O |
CHEMBL4940278 | Cc1ccn(CC(=O)N2CCCN(CC(C)C)[C@H](c3nc(C)no3)C2)n1 | [C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring1][P][N][=Ring2][Ring1][=Branch2] | N14CCCN5C7C1.Cc1ccn6n1.c17nc(C)no1.C6C4=O.C5C(C)C |
CHEMBL4940279 | Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(F)cc1 | [C][C][S][C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][N][=Ring1][=Branch2][=C][C][=Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc6cc1S3(=O)=O.c14ccc(F)cc1.c16cc5on1.C5(F)(F)F.N34 |
CHEMBL1307926 | O=C(O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 | [O][=C][Branch1][C][O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc(Cl)cc1Cl.c16nnc7n14.c15ccccc1.O=C(O)C3.S36.C45 |
CHEMBL1307927 | COc1ccccc1NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S] | c19ccc2c(c1)OCO2.c16ccccc18.N15CCN7CC1.C45=O.CO6.N48.C79 |
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