ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL1367697 | Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][S][C][C][Ring2][Ring1][Branch2] | C7S(=O)(=O)c1ccc(Br)cc1.Cc1ccc(Cl)cc15.N15CCN4CC1.c16ccc7o1.C46=O |
CHEMBL1368511 | c1ccc2nc(C3=NCCN3)cnc2c1 | [C][=C][C][=C][N][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=N][C][Ring1][O][=C][Ring1][#C] | c1ccc2nc(C3=NCCN3)cnc2c1 |
CHEMBL1368512 | N#CCCCc1cc2ccccc2cn1 | [N][#C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#Branch2] | c13cc2ccccc2cn1.N#CCCC3 |
CHEMBL4943111 | CC1(C)C[C@@]1(NC(=O)Nc1ccnnc1)c1ccccc1 | [C][C][Branch1][C][C][C][C@@][Ring1][Ring2][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(C)CC146.c15ccnnc1.c16ccccc1.C23=O.N24.N35 |
CHEMBL4943112 | CCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] | c18cc6cc(=O)[nH]1.N14CCN5CC1.C=7c1ccccc1.C46=O.C5C=7.CC8 |
CHEMBL4943113 | Oc1cccc2c1C[C@@H](NCc1ccncc1Cl)C2 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][N][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C] | Oc1cccc2c1CC4C2.c15ccncc1Cl.N34.C35 |
CHEMBL4943114 | CC(Cc1ccccc1)(NC(=O)C1CCCN(C(=O)c2ccoc2)C1)C(=O)O | [C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N][C][=Branch1][C][=O][O] | CC5(C8)C(=O)O.C16CCCN4C1.c18ccccc1.c17ccoc1.C36=O.C47=O.N35 |
CHEMBL1368514 | CCCCN=C(S)N=Nc1c(O)[nH]c2ccccc12 | [C][C][C][C][N][=C][Branch1][C][S][N][=N][C][=C][Branch1][C][O][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | CCCCN=C(S)N=Nc1c(O)[nH]c2ccccc12 |
CHEMBL1368642 | COc1ccccc1-c1nnn(CC(=N)NO)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][Branch2][C][C][=Branch1][C][=N][N][O][N][=Ring1][#Branch2] | c12ccccc14.c14nnn3n1.C3C(=N)NO.CO2 |
CHEMBL1368643 | COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C)c2n1 | [C][O][C][=N][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | c14ncc2nc5c(=O)n(C)c2n1.c15ccc(Cl)cc1.CO4 |
CHEMBL1368644 | O=C(O)c1ccccc1OCc1nc2ccccc2s1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.c15ccccc14.O=C5O.O34.C36 |
CHEMBL1368645 | Cc1cc(C)c(OCCCCCNCCO)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][O][O][C][C][C][C][C][N][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c3c(C)c1.C2CCCC4.C5CO.O23.N45 |
CHEMBL1368646 | Cc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)coc2c1C | [C][C][=C][C][=C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][=C][O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N][C] | Cc1ccc2c9coc2c1C.c1%10ccc7cc1.c18ccco1.C9C4=O.N456.N7(C)C.C5%10.C68 |
CHEMBL1368647 | CC(C)(C)c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)no1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][=N][O][Ring2][Ring1][Ring2] | c18ccc6cc1.c19cc7no1.C15CCCC1.CC9(C)C.C48=O.N47.O56 |
CHEMBL1790838 | CC[C@@H](C)[C@@H](NC(=O)C1(NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O | [C][C][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][Branch1][C][C][C][C][C][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][R... | C6(=O)C%12CCC(=O)O.CCC(C)C%10C8=O.C7(=O)C(N)C(C)C.c15ccc(O)cc1.C1%114CCCC1.N18CCCC13.C%13(C5)C(=O)O.C24=O.C93=O.N2%10.N6%11.N7%12.N9%13 |
CHEMBL1369616 | Cc1nc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc1C(=O)N(C)C | [C][C][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][S][C][=Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc7sc19.N16CCN8CC1.c18cccc(Cl)c1.C4(=O)C6.C59=O.N5(C)C.N47 |
CHEMBL4943241 | COCc1nc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cs1 | [C][O][C][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][S][Ring2][Ring1][C] | c18c(C)cc(C)[nH]c1=O.c17nc6cs1.C36=O.CO4.C47.N35.C58 |
CHEMBL4943242 | CCCCNC(=O)CN(C)C(=O)c1cnc(NCC)nc1 | [C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring2][N][C][C][N][=C][Ring1][=Branch2] | c18cnc7nc1.CCCC4.C2(=O)C5.N35C.C38=O.N24.N67.C6C |
CHEMBL4943243 | O=C(Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O)NCCCO | [O][=C][Branch2][Ring1][S][C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][=O][N][C][C][C][O] | n15c7nn6c1=O.c16ccc(Cl)cc1.c17ccco1.O=C3C5.C4CCO.N34 |
CHEMBL4943244 | Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2c1ccc(C(=O)O)cc1 | [C][C][=N][N][C][=Branch1][=Branch1][=N][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | Cc1nn2c(nc1=O)-c1ccccc1NC2c1ccc3cc1.C3(=O)O |
CHEMBL1369617 | Cc1cccc(C)c1OCc1cc(=O)n2ccsc2n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=Branch1][C][=O][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][#Branch2] | c15cc(=O)n2ccsc2n1.Cc1cccc(C)c14.O34.C35 |
CHEMBL1369618 | O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NNC(=O)c1ccccc1O | [O][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][S][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | O=C(C5)NNC3=O.N15C(=O)SC=4C1=O.C=4c1ccc(Cl)cc1.c13ccccc1O |
CHEMBL1369619 | CCc1ccc2oc(=O)cc(CN3CCCCC3C)c2c1 | [C][C][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2oc(=O)cc6c2c1.N14CCCCC1C.CC5.C46 |
CHEMBL1370756 | C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1cnccn1)c1ccccc1 | [C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@H1][C][C@][Ring1][Ring1][Branch1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc2ccccc2c1.c17cnccn1.c1%10ccccc1.CC8C3=O.C18CC19C.C59%10.C47=O.N36.N45 |
CHEMBL1370757 | N#CC1=C(N)Oc2cc(O)ccc2C1C1CCCCC1 | [N][#C][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] | N#CC1=C(N)Oc2cc(O)ccc2C1C1CCCCC1 |
CHEMBL1370759 | Fc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1 | [F][C][=C][C][=C][C][Branch2][Ring2][O][C][C][=C][N][=C][C][=Branch2][Ring1][O][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][Ring1][S][N][=Ring2][Ring1][Ring1][C][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=N] | c18cc2nc3c(c7n2n1)CCCC3.N17CCC2(CC1)OCCO2.Fc1cccc8c1 |
CHEMBL1370760 | CCOc1ccccc1OCCCOc1ccc(C)cc1Cl | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl] | c17ccc(C)cc1Cl.c15ccccc16.C3CC4.CC2.O25.O36.O47 |
CHEMBL1370761 | CC1(C)CC(=O)c2cnc3nc4ccccc4n3c2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][=N][C][Ring2][Ring1][Ring1] | CC1(C)CC(=O)c2cnc3nc4ccccc4n3c2C1 |
CHEMBL1370886 | COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][S][O][C] | c15ccc(S%11(=O)=O)cc1.c18ccc%12cc1%10.c1%13ccccc19.C6(=O)C7.C45=O.N%11%13C.CO8.N6%12.O47.O9C.O%10C |
CHEMBL4943385 | CCc1nc(-c2cc3ccccc3o2)n(CC(C)(C)O)n1 | [C][C][C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][N][=Ring2][Ring1][Ring1] | c16cc2ccccc2o1.c15nc6n4n1.C4C(C)(C)O.CC5 |
CHEMBL4943386 | CCN(C(=O)CCn1c(=O)cc(C(F)F)c2c(C)n(CC)nc21)c1ccccc1 | [C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Branch1][C][C][N][Branch1][Ring1][C][C][N][=C][Ring1][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c(=O)cc8c2c(C)n7nc21.c15ccccc1.C3(=O)CC6.N345.C8(F)F.CC4.C7C |
CHEMBL4943387 | Nc1c2c(nn1-c1ccccc1)-c1ccccc1CC21CCCC1 | [N][C][=C][C][=Branch1][=N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][C][C][Ring1][Branch1] | Nc1c2c(nn13)-c1ccccc1CC21CCCC1.c13ccccc1 |
CHEMBL4943388 | c1ccc(CN2CCC(NC3(c4ccccc4)CCC3)CC2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][C][Branch2][Ring1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] | N15CCC7CC1.c1ccc8cc1.c19ccccc1.C169CCC1.C58.N67 |
CHEMBL4943389 | CC(C)C1CN(C(=O)NC2CCOC(c3ccnn3C)C2)C1C(C)C | [C][C][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring1][C][Branch1][C][C][C] | C16CCOC9C1.C18CN4C17.c19ccnn1C.CC8C.C45=O.C7(C)C.N56 |
CHEMBL1370887 | CCn1c(C)c(C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21 | [C][C][N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring2][Ring1][#Branch1] | n18c(C)c7c2cc5ccc21.c16ccc4cc1.C37=O.CC8.N36.O4C.O5C |
CHEMBL1371025 | COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N] | S7(=O)(=O)c1cccc2cccnc12.c16cccc8c1.C19CCCN7C1.C59=O.CO6.N58 |
CHEMBL1371026 | Cc1ccc(C(=O)NCCNC(=O)c2ccc(C)o2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | Cc1ccc7o1.c18ccc(C)o1.C37=O.C5C6.C48=O.N35.N46 |
CHEMBL1371027 | N#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1 | [N][#C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1nc5oc14.c16ccccc1.c17ccccc1.C56.N34.C37 |
CHEMBL4943461 | C[C@@H]1CN(CC(=O)NCCCc2nccs2)C[C@H](C)O1 | [C][C@@H1][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C@H1][Branch1][C][C][O][Ring2][Ring1][Ring1] | CC1CN4CC(C)O1.c16nccs1.C4C3=O.C5CC6.N35 |
CHEMBL4943463 | CCOc1ncccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.c15ncccc16.N13CCCC17.C36=O.CC4.O45 |
CHEMBL1371028 | CCCCN1C(=O)/C(=C/C=C/C=C/Nc2ccccc2)SC1=S | [C][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][#C][=C][/C][=C][/C][=C][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][C][=S] | N16C(=O)C=4SC1=S.c13ccccc1.C=5C=CN3.CCCC6.C=4C=5 |
CHEMBL1371029 | CCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O | [C][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][=C][=C][\N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch1][=O] | N14C(=O)C(=CN3)C(=O)N5C1=O.c13ccc(Cl)cc1.c16ccco1.CCCC4.C56 |
CHEMBL1371031 | C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O | [C][/C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][\C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O] | C1=4C(=O)NC(=O)N6C1=O.c16ccccc1.c15ccco1.CC=4N3.C35 |
CHEMBL4943543 | Cc1conc1CNc1ccc(Br)c(C(F)(F)F)n1 | [C][C][=C][O][N][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O] | c13ccc(Br)c5n1.Cc1conc14.C5(F)(F)F.C24.N23 |
CHEMBL4943544 | CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1cccnc1Oc1ccccc1F)C2 | [C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Ring1][#Branch1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Branch2] | CN1C(=O)C2CCC1CN3C2.c17cccnc15.c16ccccc1F.C34=O.N47.O56 |
CHEMBL4943545 | CN1CCC(n2nccc2NC(=O)c2nn(C)c(=O)c3ccccc23)CC1 | [C][N][C][C][C][Branch2][Ring1][P][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2] | c16nn(C)c(=O)c2ccccc12.CN1CCC7CC1.n17nccc15.C46=O.N45 |
CHEMBL4943546 | CCOc1ncc(C)cc1NC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 | [C][C][O][C][=N][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | N14CCN5C2(CCCCC2)C1.c17ncc(C)cc18.C34=O.C5(C)=O.CC6.O67.N38 |
CHEMBL4943547 | CCn1ccnc1CNc1nc2cc(Cl)ccc2n1C | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C] | c14nc2cc(Cl)ccc2n1C.n15ccnc16.CC5.C36.N34 |
CHEMBL4943548 | O=C(OCc1cccnc1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC(S(=O)(=O)C7)CC1.c16cccnc1.c17ccccc1.O=C34.O35.C56 |
CHEMBL4943549 | C[C@@]1(C(=O)N2CCN(c3ccccn3)CC2)CCCCC(=O)N1 | [C][C@@][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][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC16CCCCC(=O)N1.N14CCN5CC1.c15ccccn1.C46=O |
CHEMBL1365340 | COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C)C2 | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#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][Ring1][#C][S][C][=C][Ring2][Ring1][#Branch1][C][C][N][Branch1][C][C][C][Ring1][#Branch1] | c18c7sc2c1CCN(C)C2.c19ccc(S6(=O)=O)cc1.N16CCOCC1.C48=O.C59=O.CO4.N57 |
CHEMBL1365341 | CCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][O] | S8(=O)(=O)c1ccc2c(c1)CCC(=O)N2.c19ccc%10c(C)c1.C4(=O)CC7.N569.CC5.C6C.N4%10.N78 |
CHEMBL1365342 | COC(=O)C(CCSC)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 | [C][O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][N][N][=C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring1][=C] | n18ncc2c(=O)oc3ccccc3c21.C4(=O)C6CC7.C5(=O)C8.CO4.S7C.N56 |
CHEMBL4943633 | O=C(COc1ccc2c(c1)OCO2)NCc1ccccn1 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c17ccccn1.O=C3C4.O45.N36.C67 |
CHEMBL4943634 | Cc1nn(CC(=O)N2C[C@H](C)[C@@](O)(C3CC3)C2)cc1Cl | [C][C][=N][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][Cl] | N14CC(C)C(O)(C2CC2)C1.Cc1nn5cc1Cl.C5C4=O |
CHEMBL4943635 | N#Cc1cccc(S(=O)(=O)N2C(C(N)=O)CC3CCCCC32)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][Branch1] | N#Cc1cccc(S4(=O)=O)c1.N14C5CC2CCCCC21.C5(N)=O |
CHEMBL4943636 | CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1cccc(C#N)c1 | [C][N][Branch2][Ring1][#Branch1][C][C][C][=N][O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | S6(=O)(=O)c1cccc(C#N)c1.c14ccccc1F.c17noc8n1.CN56.C5C7.C38.O34 |
CHEMBL4943637 | COc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][C@@][Ring1][#C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][P] | N1%10C(=O)c2cc%11nn2CC18C.c16cccc%10c1.c19ccc(Cl)cc1.c1%11ccco1.C58=O.CO6.N57.C79 |
CHEMBL4943638 | COc1cc(OC)cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c15cc6cc8c1.C17CCN4C1.C38=O.C4(N)=O.CO5.O6C.N37 |
CHEMBL4943640 | Cc1cc(=O)[nH]c(NCCNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][N][N][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][=N][Ring2][Ring1][Branch2] | Cc1cc(=O)[nH]c7n1.c19ccc(Cl)cc1.C189CCC1.C5C6.C48=O.N57.N46 |
CHEMBL4943641 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc(Cc3cccc(F)c3)nc(N3CCOCC3)c2C1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][=N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Br... | N15CCc2nc8nc6c2C1.c17ccc9cc1.c1%10cccc(F)c1.N16CCOCC1.C9(F)(F)F.O=C45.N47.C8%10 |
CHEMBL1365343 | COC(=O)C1=C(c2ccccc2)c2ccccc2S(=O)(=O)N1CC(=O)Nc1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C3(=O)C1=C(c2ccccc2)c2ccccc2S(=O)(=O)N15.c16ccccc1Cl.C5C4=O.CO3.N46 |
CHEMBL1365344 | CCC1(c2ccc(Cl)cc2)N=C(S)N(c2ccccc2)N1 | [C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Branch1][C][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] | C134N=C(S)N(c2ccccc2)N1.c14ccc(Cl)cc1.CC3 |
CHEMBL1365345 | Cc1nc2c(C(=O)NCCC3=CCCCC3)cnn2c(O)c1Cl | [C][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][N][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][Cl] | Cc1nc2c6cnn2c(O)c1Cl.C5CC1=CCCCC1.C46=O.N45 |
CHEMBL4943700 | O=C(NCC1CCN(C(=O)c2ccc[nH]2)CC1)c1ccoc1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=N][C][C][=C][O][C][=Ring1][Branch1] | C18CCN4CC1.c16ccc[nH]1.c17ccoc1.O=C37.C46=O.N35.C58 |
CHEMBL1366780 | CCOc1ccccc1N1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O][C][C][Ring2][Ring1][Branch1] | c16ccccc19.N19CCN7CC1.c18nc(C)c%10s1.C7C3=O.C4%10=O.N4(C)C.CC5.O56.N38 |
CHEMBL1366905 | Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16ccc2ccccc2c1.Clc1ccc7cc1.c17ccnc5n1.O56 |
CHEMBL1366907 | Cc1ccc(-c2noc(=O)n2CC(=O)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c15noc(=O)n14.c13ccc(Cl)cc1.C4C3=O |
CHEMBL4943765 | O=C(NCc1cncc(-c2ccco2)c1)c1cccc(Oc2ccc(F)cc2)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C] | c18cncc9c1.c17cccc4c1.c15ccc(F)cc1.c19ccco1.O=C37.N36.C68.O45 |
CHEMBL4943766 | O=C1C[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C2(CCCC2)O1 | [O][=C][C][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][=Branch2] | O=C1CC7C2(CCCC2)O1.C16CCN5CC1.c18cccnc1.C47=O.N46.C58 |
CHEMBL4943767 | O=C(NCC1CCN(C(=O)[C@H]2CCOC2)CC1)c1ccoc1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][O][C][Ring1][Branch1][C][C][Ring1][=N][C][C][=C][O][C][=Ring1][Branch1] | C18CCN4CC1.C16CCOC1.c17ccoc1.O=C37.C46=O.N35.C58 |
CHEMBL4943768 | Cc1nn(C)cc1[C@H](C)n1ccnc1-c1coc(-c2ccccc2)n1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | Cc1nn(C)cc14.n13ccnc15.c15coc6n1.c16ccccc1.C34C |
CHEMBL4943769 | COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2] | c14cc2c(cc15)C(c1ccc(F)cc1)N3CC2.c16cccc(F)c1.C36=O.CO4.O5C |
CHEMBL4943770 | O=C(c1ccc[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][P] | N13CCC4CC1.c15cccc7c1.c16ccc[nH]1.C7(F)(F)F.O=C36.O45 |
CHEMBL1366908 | CCc1ccc(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | c16nn2c(=O)cc(C)nc2s1.c19ccc7cc1.C18CCN6CC1.C58=O.CC9.N57 |
CHEMBL1366909 | Cc1[nH]c2ccc(F)cc2c1CCN1C(=O)OC(C)(C)C1(C)O | [C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][O] | Cc1[nH]c2ccc(F)cc2c14.N13C(=O)OC(C)(C)C1(C)O.C4C3 |
CHEMBL1368248 | Cc1c(C(=O)c2ccc(F)cc2F)c2ccccn2c1CCC#N | [C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][C][C][C][#N] | Cc1c3c2ccccn2c15.c14ccc(F)cc1F.C5CC#N.C34=O |
CHEMBL4943860 | COCC1CN(C(=O)NCCc2ccco2)CC(C)O1 | [C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][C][O][Ring1][P] | C17CN3CC(C)O1.c18ccco1.C34=O.C6C8.CO5.C57.N46 |
CHEMBL4943861 | C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)n1ccnc1 | [C][C@@H1][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][N][C][=C][N][=C][Ring1][Branch1] | N13CCN4CC1.CC5CC3=O.c14ccccc1.n15ccnc1 |
CHEMBL4943862 | COCCOC[C@H](C)Nc1cc(OC)c(Cl)cc1OC | [C][O][C][C][O][C][C@H1][Branch1][C][C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | c18cc5c(Cl)cc16.C4C7C.C2C3.CO2.O34.N78.O5C.O6C |
CHEMBL4943863 | O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCC(N2CCCCC2)C1 | [O][=C][Branch1][#C][N][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O] | C15CC1C1CCCCC1.N14CCC6C1.N16CCCCC1.O=C34.N35 |
CHEMBL1368249 | Cc1cc2cc(CNC(=O)CCC(=O)O)ccc2n1C | [C][C][=C][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#C][N][Ring2][Ring1][C][C] | Cc1cc2cc5ccc2n1C.C3(=O)CCC(=O)O.C45.N34 |
CHEMBL1368380 | CCN(CC)CCNC(=O)COc1ccc(OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14ccc5cc1.C2(=O)C3.N678.C8C9.CC6.C7C.N29.O34.O5C |
CHEMBL1368381 | CCC(Oc1ccccc1)C(=O)NC1CCSC1=O | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][S][C][Ring1][Branch1][=O] | CCC3C2=O.c14ccccc1.C15CCSC1=O.O34.N25 |
CHEMBL1368382 | O=C(COc1ccccc1)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S] | c17cccc8c1.c19ccccc1Cl.c16ccccc1.N3C(=S)N7.O=C3C5.C49=O.O56.N48 |
CHEMBL4943997 | Cc1cc(C(=O)N2CCN(C)C[C@@H]2C)c2n[nH]cc2c1 | [C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Ring2][Ring1][Ring1] | Cc1cc4c2n[nH]cc2c1.N13CCN(C)CC1C.C34=O |
CHEMBL1368383 | O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccnc1Cl | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl] | c17nc2cccnc2s1.c15ccc7cc1.c16cccnc1Cl.O=C46.N45 |
CHEMBL1368385 | Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3O)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch1] | Cn1c(=O)n(C)c2cc(S4(=O)=O)ccc21.c15ccccc1O.N45 |
CHEMBL1370342 | O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccccc1OC(F)F | [O][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] | c17ncc(Cl)c(Cl)c1Cl.c16ccccc15.O=C3C4.O5C(F)F.C27=O.O24.N36 |
CHEMBL4944023 | CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)CCN1CCCC1 | [C][N][Branch1][#C][C@H1][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C][C][C][Ring1][Branch1] | CN4C1CCCc2c1cnn2C.S4(=O)(=O)CC3.N13CCCC1 |
CHEMBL4944025 | CCc1nnc2c(=O)n(CC(=O)NCc3cccc(Cl)c3)c3cccnc3n12 | [C][C][C][=N][N][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1] | c17nnc2c(=O)n6c3cccnc3n12.c18cccc(Cl)c1.C6C4=O.CC7.N45.C58 |
CHEMBL4944026 | O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)C1CC2CCC1C2 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=C][S][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c17ccc2c(c1)COC2.C16CC2CCC1C2.c15nc7cs1.O=C46.N45 |
CHEMBL4944027 | CCCCn1nc(-c2c[nH]c3ccccc23)nc1C1(O)CCN(C)CC1 | [C][C][C][C][N][N][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Ring1][=C][C][Branch1][C][O][C][C][N][Branch1][C][C][C][C][Ring1][Branch2] | c16c[nH]c2ccccc12.C15(O)CCN(C)CC1.n14nc6nc15.CCCC4 |
CHEMBL4944028 | O=C1[C@@H]2CCCN2[C@@H](c2ccccc2Cl)N1c1ccccn1 | [O][=C][C@@H1][C][C][C][N][Ring1][Branch1][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C1C2CCCN2C4N13.c14ccccc1Cl.c13ccccn1 |
CHEMBL1370343 | Clc1cccc(Cl)c1CSc1nnc(-c2sccc2-n2cccc2)o1 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][#C][C][S][C][=C][C][=Ring1][Branch1][N][C][=C][C][=C][Ring1][Branch1][O][Ring1][#C] | Clc1cccc(Cl)c14.c16nnc7o1.c17sccc15.n15cccc1.C34.S36 |
CHEMBL1370344 | Nc1cccc(-c2nnc3n2CCCCC3)c1 | [N][C][=C][C][=C][C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c14nnc2n1CCCCC2.Nc1cccc4c1 |
CHEMBL1370346 | COc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.c16c(C)noc17.c17snnc1C.C36=O.CO4.N35 |
CHEMBL1370347 | CN1CCN(CCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 | [C][N][C][C][N][Branch2][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][Ring2][Ring2][Ring2] | CN1CCN8CC1.c1%10cnn%11c1%12.c1%11ccc(Cl)cc1.C1%12CCN6CC1.C7(C)(C)C.C8C9.C5%10=O.C46=O.N59.O47 |
CHEMBL1370348 | Nc1c(NCc2ccccc2)c(=O)c1=O | [N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O] | Nc1c4c(=O)c1=O.c15ccccc1.N34.C35 |
CHEMBL4944072 | O=C(Cn1nnc2ccccc21)N1CCc2ccccc21 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n14nnc2ccccc21.N13CCc2ccccc21.O=C3C4 |
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