ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4943070 | O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccccc2F)o1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N] | c14ccc2[nH]c(=O)[nH]c2c1.c16ccccc1F.c15ccc6o1.O=C35.N34 |
CHEMBL4943071 | COC[C@H]1CCN1C(=O)Nc1csc(C)c1 | [C][O][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1] | c15csc(C)c1.C16CCN12.C23=O.CO4.C46.N35 |
CHEMBL1371764 | CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][#Branch2] | C6(=O)CCS(=O)(=O)c1ccc2c(c1)CCN27.N15CCN6CC1.C7(=O)CC.C45=O.CC8.O48 |
CHEMBL1371767 | COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | N16CCCc2cccc(O)c21.c17ccc(S6(=O)=O)cc1.C45=O.CO4.N57 |
CHEMBL4943126 | COc1ncccc1C(=O)N[C@@H](C)Cn1cncn1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=N][C][=N][Ring1][Branch1] | c13ncccc15.n16cncn1.C4(C)C6.C25=O.CO3.N24 |
CHEMBL1371768 | CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCn1nnc3ccccc3c1=O)n2CC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][C][S][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][Ring2][Ring1][Ring1][C][C] | S6(=O)(=O)c1ccc2c(c1)nc9n28.n17nnc2ccccc2c1=O.N456.S9C7.CC4.C5C.C8C |
CHEMBL1371769 | Cc1cccc(C(=O)NCc2ccco2)c1 | [C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C] | Cc1cccc5c1.c16ccco1.C35=O.N34.C46 |
CHEMBL1365716 | COc1ccc(N2CCN(C(=O)c3cc(N4C(=O)C5C6CCC(C6)C5C4=O)ccc3Cl)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][O][=O][=C][C][=C][Ring2][Ring1][C][Cl][C][C][Ring2][Ring1][O][C][=C][Ring2][Ri... | N1%11C(=O)C2C3CCC(C3)C2C1=O.c1%10cc%11ccc1Cl.c18ccc9cc1.N19CCN7CC1.C7%10=O.CO8 |
CHEMBL4943198 | O=C1NCC2(CCN(C(=O)C[C@H]3CCOC3)CC2)O1 | [O][=C][N][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C@H1][C][C][O][C][Ring1][Branch1][C][C][Ring1][=C][O][Ring2][Ring1][C] | O=C1NCC2(CCN4CC2)O1.C15CCOC1.C4(=O)C5 |
CHEMBL4943199 | COCCn1cncc1CN1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 | [C][O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][#C] | N14C2CCC1CC7C2.c17ccc(F)c(C)c1.n15cncc16.C3C5.CO3.C46 |
CHEMBL4943200 | O=C(c1ccc(F)cc1)N1CCN(c2nc(Cc3ccccc3)nc3cc(Cl)ccc23)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] | c15nc7nc2cc(Cl)ccc12.c16ccc(F)cc1.N14CCN5CC1.c18ccccc1.O=C46.C78 |
CHEMBL4943201 | Cn1nnc2c(N3CC(C(=O)NC4CCCCCC4)C3)ncnc21 | [C][N][N][=N][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=C][N][=C][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | Cn1nnc2c6ncnc21.C17CCCCCC1.N16CC8C1.C58=O.N57 |
CHEMBL4943202 | Cn1nnc(CN2C[C@@H]3[C@H](C2)[C@H]3NC(=O)c2cccn(C(C)(C)C)c2=O)n1 | [C][N][N][=N][C][Branch2][Ring2][=Branch1][C][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][#Branch2] | c17cccn8c1=O.N15CC2C6C2C1.Cn1nnc9n1.C8(C)(C)C.C47=O.C59.N46 |
CHEMBL4943203 | Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1][C][=C][Ring2][Ring1][N] | Cc1ccc(S(=O)(=O)c2c5cnc3ccc(F)cc23)cc1.N14CCCCC1.C45=O |
CHEMBL4943204 | COCCc1nc([C@@H]2CCCO2)n(-c2ccc(C(=O)O)cc2)n1 | [C][O][C][C][C][N][=C][Branch1][Branch2][C@@H1][C][C][C][O][Ring1][Branch1][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][=Ring2][Ring1][Ring1] | c15nc7n6n1.c16ccc4cc1.C17CCCO1.C3C5.C4(=O)O.CO3 |
CHEMBL4943205 | COCCC1(NC(=O)C(O)C(O)c2nc3ccccc3s2)CCC1 | [C][O][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2] | c17nc2ccccc2s1.C4(=O)C(O)C7O.C168CCC1.C5C8.CO5.N46 |
CHEMBL4943206 | CC(C)C(=O)NCc1csc(C2CCN(C(=O)c3ccco3)CC2)n1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][C] | C19CCN5CC1.c18csc9n1.CC(C)C4=O.c17ccco1.C57=O.N46.C68 |
CHEMBL4943207 | Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)n1 | [C][C][=C][NH1][C][Branch2][Ring2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2] | c16cccc(O)c1.c17ccccc1Cl.Cc1c[nH]c5n1.C3(=O)CC67.N34C.C45 |
CHEMBL4943208 | CN1C(=O)C2(CCN(c3nc(C(N)=O)cs3)CC2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][C][N][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | CN1C(=O)C2(CCN4CC2)c2ccccc21.c14nc5cs1.C5(N)=O |
CHEMBL4943209 | Cc1ccc(CNC(=O)Nc2ccc3oc(=O)n(C)c3c2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c17ccc2oc(=O)n(C)c2c1.Cc1ccc8c(C)c1.C45=O.C68.N46.N57 |
CHEMBL1365718 | O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.c17ccccc1F.c15ncccn1.O=C3C7.N36.N45 |
CHEMBL1365719 | COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | C17N6C(=O)C2CCCN21.c16cc(Cl)ccc15.c14ccc7cc1.CO4.O5C |
CHEMBL1365721 | COc1ccc(-c2[nH]ncc2CN(C)CC2CCCCO2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][NH1][N][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][F] | c13ccc8cc1F.c18[nH]ncc17.C16CCCCO1.N45C.CO3.C47.C56 |
CHEMBL4943262 | O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@H]1CCCO1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][=N][S][C][=Ring1][Branch1][Cl][=C][Ring1][N][C@H1][C][C][C][O][Ring1][Branch1] | c14cccc6c1.c16nnsc1Cl.C15CCCO1.O=C35.N34 |
CHEMBL4943263 | Cn1nncc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c13ccc(Br)c5c1.Cn1nncc14.C5(F)(F)F.C24=O.N23 |
CHEMBL4943264 | C=CCC1(CC=C)CCCCN1Cc1nccn1C | [C][=C][C][C][Branch1][Ring2][C][C][=C][C][C][C][C][N][Ring1][=Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C] | C134CCCCN12.c15nccn1C.C=CC3.C4C=C.C25 |
CHEMBL4943265 | Nc1nccnc1C(=O)NCC1(c2c(F)cccc2F)CCCC1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][C][C][Ring1][=N] | c17c(F)cccc1F.Nc1nccnc15.C167CCCC1.C35=O.N34.C46 |
CHEMBL1365722 | O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(O)c1 | [O][=C][Branch2][Ring1][Branch1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | O=C2NNS(=O)(=O)c1ccc(F)cc1.c12cccc(O)c1 |
CHEMBL1367558 | CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4F)CC3)cc21 | [C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=N] | N15CCOc2ccc(S7(=O)=O)cc21.N17CCC9CC1.c18ccccc1F.CC5=O.C69=O.N68 |
CHEMBL1367559 | CC(=O)NCCOC(=O)Nc1ccncc1 | [C][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c17ccncc1.CC3=O.C6C5.C24=O.N36.O25.N47 |
CHEMBL4943336 | O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | N15C(=O)c2ccccc2C1=O.c16cn2c(n1)CCCC2.c14ccccc16.O=C3C5.N34 |
CHEMBL4943337 | CCOc1ccccc1NC(=O)CS(=O)(=O)CC(=O)Nc1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)CS(=O)(=O)CC3=O.c15ccccc16.c17ccccc1.CC4.O45.N26.N37 |
CHEMBL1367560 | Cc1cc(=O)n2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2n1 | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][C][C][C][Ring1][S][S][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2] | Cc1cc(=O)n2nc8sc2n1.N18CCC9CC1.C7CC5.C49=O.C6(C)C.N47.O56 |
CHEMBL1367561 | CCOc1cc(C(C(=O)NCC2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O | [C][C][O][C][=C][C][Branch2][Branch1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][C]... | n1%14nnc2ccccc21.c19cc6ccc1O.c1%12ccc%13cc1.C%106C4=O.C15CCCO1.C7(=O)C%14.N7%10%12.C%13(C)=O.CC8.O89.N4%11.C%115 |
CHEMBL1367562 | Cc1ccc(-c2ccccc2NC(=O)C2C3C=CC(C3)C2C(=O)O)o1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O][O][Ring2][Ring1][Branch2] | C16C2C=CC(C2)C17.c18ccccc15.Cc1ccc8o1.C46=O.C7(=O)O.N45 |
CHEMBL1790837 | CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](N)C(C)C)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][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Br... | C5(=O)C%10CCC(=O)O.CCC(C)C9C7=O.C6(=O)C(N)C(C)C.c14ccc(O)cc1.C1%12CCCN15.N17CCCC13.C%11(C4)C(=O)O.C2%12=O.C83=O.N29.N6%10.N8%11 |
CHEMBL1369607 | COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch2][O][C] | c14ccc9cc15.C17CC(=O)N8C1=O.c1%10ccccc1.C9C6.C8C%10.CO4.N67.O5C |
CHEMBL1369608 | COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NC(N)=O | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O] | c17ccc(S8(=O)=O)cc19.N18CCCCCC1.C6C4=O.C39=O.C5(N)=O.CO7.O36.N45 |
CHEMBL4943400 | Cc1ccn2c(NCc3cccc(C#N)c3)nnc2c1 | [C][C][C][=C][N][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=Ring2][Ring1][Ring1] | Cc1ccn2c5nnc2c1.c16cccc(C#N)c1.N45.C46 |
CHEMBL4943401 | CS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch1] | N17CCN4CC1.N15CCN6CC1.c18ccccc1.CS7(=O)=O.C45=O.C68 |
CHEMBL4943402 | Cc1cncc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C@H1][Ring1][O][C][O][=C][Ring2][Ring1][=Branch1] | Cc1cncc7c1.C16CN5CC18.c15ccncn1.C47=O.N46.C8O |
CHEMBL4943403 | Cc1ccc(OCCN(C)C(=O)NCC2(Cn3ccnc3)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc7c(C)c1.n1%10ccnc1.C1%11%12CC1.C6C8.N48C.C45=O.O67.N59.C9%11.C%10%12 |
CHEMBL4943404 | Cc1csc(NC(=O)c2cnc(C(C)C)s2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][=N][Ring1][S] | Cc1csc4n1.c15cnc6s1.C35=O.C6(C)C.N34 |
CHEMBL4943405 | CCn1ncnc1[C@@H](NC(=O)c1ccncc1Cl)C1CC1 | [C][C][N][N][=C][N][=C][Ring1][Branch1][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring1][Ring1] | c14ccncc1Cl.n15ncnc16.C367.C24=O.C17CC1.CC5.N23 |
CHEMBL4943406 | O=C(NCCN1CCCCC1=O)c1cc(Cn2ccc3ccccc32)[nH]n1 | [O][=C][Branch1][=N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][=C][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][NH1][N][=Ring1][#C] | n17ccc2ccccc21.N18CCCCC1=O.c16cc9[nH]n1.O=C46.C5C8.N45.C79 |
CHEMBL4943407 | Cc1ccc(-c2csc3ncnc(N4CC([C@H](C)O)C4)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][S][C][=N][C][=N][C][Branch1][=C][N][C][C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][Ring1][#Branch1][=C][Ring1][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c17csc2ncnc5c12.Cc1ccc7cc1.N15CC6C1.C6(C)O |
CHEMBL1369609 | COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cn1C | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][N][Ring2][Ring1][Branch2][C] | c18cc(S7(=O)=O)cn1C.C19CCN6CC1.c1%10cccc(F)c1.C48=O.CO4.N57.C59.C6%10 |
CHEMBL1369610 | Cc1ccc2occ(C3NC(C(=O)O)CS3)c(=O)c2c1 | [C][C][=C][C][=C][O][C][=C][Branch1][#C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2occ5c(=O)c2c1.C15NC4CS1.C4(=O)O |
CHEMBL1369611 | CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1sccc1C | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][O][C][Ring1][P][C][S][C][=C][C][=Ring1][Branch1][C] | N13c2ccccc2-c2nnc4nc2OC15.c15sccc1C.CCCC3=O.S4C |
CHEMBL1371831 | CCCCCCCNC(=O)C1(CC2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)c2ccccc2)CC1 | [C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][O] | C19CC(c2cccc(Br)c2)=NO1.C17%10CCN5CC1.CCCCCCC6.c18ccccc1.C47=O.C58=O.N46.C9%10 |
CHEMBL4943489 | Cc1c(CN(C)[C@@H](C)CC(N)=O)[nH]c2ccc(Cl)cc12 | [C][C][=C][Branch1][S][C][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][Branch1][C][N][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | Cc1c5[nH]c2ccc(Cl)cc12.C4(C)CC(N)=O.N34C.C35 |
CHEMBL4943490 | Cc1ccc(OCCN)c(C(=O)NCc2cc3ccccc3s2)c1 | [C][C][=C][C][=C][Branch1][Branch1][O][C][C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c19cc2ccccc2s1.Cc1ccc6c8c1.C5CN.C48=O.O56.N47.C79 |
CHEMBL1371834 | Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.N14CCN5CC1.c15ccccc1.C46=O |
CHEMBL1371835 | CCN(CC)CCCN1C=C2C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] | N19C=C2C(=O)C5(C)C(=O)C=C2C=C1c1ccsc1.C1%10CCCC1.C8CC9.N678.C4%10=O.CC6.C7C.O45 |
CHEMBL4943577 | Cn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][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.Cn1nccc15.C35.N34 |
CHEMBL4943578 | CCCN1CCN(CCCNC(=O)CCCN2C(=O)CCn3nc(-c4cccn4C)cc32)CC1 | [C][C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][O][Ring1][S][C][C][Ring2][Ring1][#C] | C5(=O)CCCN1C(=O)CCn2nc9cc21.N16CCN7CC1.c19cccn1C.C7CC8.CCC6.N58 |
CHEMBL1371636 | Cc1c(C(=O)OC(C)C)sc2ncnc(O)c12 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][S][Ring1][#Branch1] | Cc1c5sc2ncnc(O)c12.C35=O.C4(C)C.O34 |
CHEMBL1371637 | Cc1nc2ncccn2c1-c1csc(NCc2ccco2)n1 | [C][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N] | Cc1nc2ncccn2c16.c16csc4n1.c15ccco1.N34.C35 |
CHEMBL1371638 | COc1cc2c(cc1NC(=O)COC(=O)C1CC(=O)N(Cc3ccco3)C1)oc1ccccc12 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C] | c17cc2c(cc18)oc1ccccc12.C19CC(=O)N%10C1.c1%11ccco1.C5(=O)C6.C49=O.CO7.N58.O46.C%10%11 |
CHEMBL1371664 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCc1ccc(F)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1ccccc15.c17ccc(F)cc1.c14cccn16.C6C2=O.C45=O.N23.C37 |
CHEMBL4943663 | N#CCN1CCC(CNC(=O)[C@H]2CCCOC2)CC1 | [N][#C][C][N][C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][O][C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC7CC1.C16CCCOC1.N#CC4.C36=O.C57.N35 |
CHEMBL4943664 | CCCn1cc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][N][N][C][Branch1][C][C][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring2][Ring1][=Branch1] | C19COCCN14.n18cc7cn1.C6(C)C9.C5(C)(C)C.CCC8.C34=O.N67.O35 |
CHEMBL4943665 | Cc1cnc(OC2CCN(Cc3cnc4ccnn4c3)CC2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][Branch1][#C][C][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring1][S][N][=C][Ring2][Ring1][#Branch1] | c18cnc2ccnn2c1.Cc1cnc5nc1.C16CCN7CC1.O56.C78 |
CHEMBL1371665 | Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | n14ccc(O)c6c1=O.Cc1ccc5cc1.c17ccccc1.C45.C67 |
CHEMBL1371666 | O=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccc3cnccc23)C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][P] | c17cccc2cnccc12.c16ccc(Cl)cc1.C15CCCN4C1.O=C56.C47 |
CHEMBL1371667 | CC(C)OC(=O)NC(c1ccccc1)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C56C(Cl)(Cl)Cl.c16ccccc1.CC4C.C23=O.O24.N35 |
CHEMBL1371668 | CCCCN(C)CCNC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 | [C][C][C][C][N][Branch1][C][C][C][C][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][=N][S][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring1][C] | S8(=O)(=O)c1cccc2nsnc12.C19CCCN8C1.CCCC5.N56C.C6C7.C49=O.N47 |
CHEMBL4943713 | NC(=O)N1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 | [N][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][Ring1][P] | N13CCCC5C1.c14ccc6cn1.C6(F)(F)F.NC3=O.N45 |
CHEMBL4943714 | CC(C)c1nn(C)c(Cl)c1CNc1cccc(F)c1F | [C][C][Branch1][C][C][C][=N][N][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] | c14nn(C)c(Cl)c15.c13cccc(F)c1F.CC4C.C25.N23 |
CHEMBL4943715 | CCCOc1cccc2c(NC3CCN(CCOC)CC3)ccnc12 | [C][C][C][O][C][=C][C][=C][C][=C][Branch1][S][N][C][C][C][N][Branch1][Branch1][C][C][O][C][C][C][Ring1][#Branch2][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P] | c16cccc2c8ccnc12.C19CCN7CC1.CCC4.C7C5.O46.N89.O5C |
CHEMBL4943716 | CC(Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(C)C1CCS(=O)(=O)C1 | [C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] | c15ccc2c(c1)OC1(CCCCC1)O2.C16CCS(=O)(=O)C1.CC4C3=O.N36C.N45 |
CHEMBL4943717 | C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)OCCO2 | [C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | C3(=O)C1=NN(C)C(=O)CC1.c15ccc2c(c1)OCCO2.CC45.N34 |
CHEMBL4943718 | Cc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)O3)C1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][Ring1][=Branch2][C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc2c(c1)NC(=O)C(C)O2.Cc1ccc(Cl)cc16.C17CCCN5C1.C47=O.N46 |
CHEMBL4943719 | COc1cc(OC)c(C(=O)N2CC(O)(c3ccccc3)C2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc6c8cc17.N14CC9(O)C1.c19ccccc1.C48=O.CO5.O6C.O7C |
CHEMBL4943720 | Cc1cccc(-n2nc(C3CCOCC3)nc2-c2ccc3c(c2)OCO3)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] | c16ccc2c(c1)OCO2.Cc1cccc4n1.n14nc5nc16.C15CCOCC1 |
CHEMBL4943721 | Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1-c1ccc(F)cc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc4c(C#N)c16.c16ccc(F)cc1.c15cccs1.C3(=O)C5.N34 |
CHEMBL1371669 | O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)cc1 | [O][=C][C][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nc2ccccc2[nH]1.O=C1CC7C(=O)N16.c16ccc(F)cc1.S47.C45 |
CHEMBL1371670 | S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCCCC1 | [S][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][C][Ring1][=Branch1] | S=C(c1ccc3o1)N1CCCCC1.c13ccc(Br)cc1 |
CHEMBL1371680 | CC1(C(=O)O)CCC(C(=O)N2CCCCC2)C1(C)C | [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][Branch1][C][C][C] | CC14CCC5C1(C)C.N13CCCCC1.C4(=O)O.C35=O |
CHEMBL4943786 | Cc1cnccc1CNC(=O)COC1CCCCC1C | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][Ring1][=Branch1][C] | Cc1cnccc16.C14CCCCC1C.C2(=O)C3.C56.N25.O34 |
CHEMBL4943787 | Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring2][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#C] | c19oc2cc(C)c(Cl)cc2c1C.S6(=O)(=O)c1ccc8cc1.Cc1ccnc7n1.C59=O.N67.N58 |
CHEMBL4943788 | Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC(OC(=O)Nc2ccccc2)C1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S] | Cc1onc%10c19.c1%10ccccc1Cl.C18CCCC6C1.c17ccccc1.C49=O.C35=O.N48.O36.N57 |
CHEMBL4943789 | COCCO[C@H]1CCC12CCN(S(=O)(=O)c1c(C)noc1C)CC2 | [C][O][C][C][O][C@H1][C][C][C][Ring1][Ring2][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][S] | C15CCC12CCN6CC2.S6(=O)(=O)c1c(C)noc1C.C3C4.CO3.O45 |
CHEMBL4943790 | O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CCCC[C@H]1c1nccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][N][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][N][=Ring1][=Branch2][O][Ring1][=C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | O=S3(=O)c1ccc6o1.N13CCCCC15.c16cc4[nH]n1.c15nccs1.C4(F)(F)F |
CHEMBL4943791 | Cc1ccc(-n2nc3c(=O)n(CCCC(=O)N4CCc5ccccc5C4)nc(C)c3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#C][N][N][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][Branch1][C][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2][C][C][=C][Ring2][Ring1][P] | n18nc2c(=O)n7nc(C)c2c1C.N16CCc2ccccc2C1.Cc1ccc8cc1.C7CCC6=O |
CHEMBL4943792 | O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@@H]1CCCN2CCCC[C@H]12 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Ring1][N][=O][N][C][C@@H1][C][C][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1] | C16CCCN2CCCCC12.n15cc7ncc1=O.c17ccccc1.O=C3C5.N34.C46 |
CHEMBL4943793 | Cc1c(C(=O)NCc2ccc(OC(C)C)cc2)cccc1-n1nnc2cccnc21 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring2][N][N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n19nnc2cccnc21.Cc1c7cccc19.c18ccc5cc1.C37=O.C4(C)C.N36.C68.O45 |
CHEMBL4943794 | CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccccn3)n2n1 | [C][C][Branch1][C][C][O][C][C][=C][C][=N][N][=C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][S][N][=Ring2][Ring1][Ring2] | c16ccc2nnc8n2n1.c17ccccn1.C8CC4=O.CC5C.O56.N47 |
CHEMBL4943795 | CN(C)Cc1cc(NC(=O)N[C@@]2(C)CCOc3ccccc32)ccn1 | [C][N][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][=N][Ring2][Ring1][Branch1] | C17(C)CCOc2ccccc21.c19cc8ccn1.CN6C.C45=O.C69.N48.N57 |
CHEMBL4943796 | NC(=O)c1cc([C@@H]2CCCCN2C(=O)Cn2cnc3ccccc32)n[nH]1 | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][NH1][Ring2][Ring1][#Branch1] | n16cnc2ccccc21.C17CCCCN14.c15cc7n[nH]1.C4(=O)C6.NC5=O |
CHEMBL4943797 | CCC1=Nc2ccccc2N=C(NC(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC1=Nc2ccccc2N=C(N3)C15.N14CCN(C)CC1.c15ccccc1.C3(=O)C4 |
CHEMBL4943798 | CC(C)c1ccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][S][N][N][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] | n1%11nc6c(=O)n7c1=O.c18ccc%11cc1.c19cccc%10c1.C%10(F)(F)F.CC8C.C46=O.C15CC1.N45.C79 |
CHEMBL4943799 | CC1CCCCC1N(C)C(=O)Cn1cnnc1Nc1cccnc1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC1CCCCC15.n16cnnc13.c14cccnc1.C2(=O)C6.N25C.N34 |
CHEMBL1364292 | O=C(O)c1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] | N14CCc2c([nH]c3ccccc23)C1C(F)(F)F.c15ccccc16.O=C5O.C46=O |
CHEMBL1364293 | Cc1ccc2nc3c(O)n(CC(=O)N4CC(C)CC(C)C4)ncc-3c2c1 | [C][C][C][=C][C][=N][C][=C][Branch1][C][O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2] | Cc1ccc2nc3c(O)n6ncc-3c2c1.N15CC(C)CC(C)C1.C6C5=O |
CHEMBL1364294 | Clc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][O][C][Branch2][Ring1][N][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] | Clc1ccc%11cc1.c1%10nnc7n19.c1%11noc6n1.c19ccccc1.c18cccs1.C56.S5%10.C78 |
CHEMBL1364295 | O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1][=Branch1][C][=O][=O] | c15ccc2c(c1)N(C6)C(=O)c1ccccc1S2(=O)=O.c14cccc(Cl)c1Cl.c16cccc(Cl)c1.O=C35.N34 |
CHEMBL4943876 | N#Cc1nc(NC(=O)[C@@H]2Cc3ccccc3O2)[nH]c1C#N | [N][#C][C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][NH1][C][=Ring1][P][C][#N] | N#Cc1nc5[nH]c1C#N.C16Cc2ccccc2O1.C46=O.N45 |
CHEMBL4943877 | Cc1cccc2c(-c3cc(N)nc(N)n3)c[nH]c12 | [C][C][=C][C][=C][C][C][Branch1][#C][C][=C][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2][=C][NH1][C][Ring1][P][=Ring1][=N] | Cc1cccc2c4c[nH]c12.c14cc(N)nc(N)n1 |
CHEMBL4943878 | Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][N][Branch1][C][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][=Branch2] | N14CCN(C)C2CS(=O)(=O)CC21.Cc1ccc(C)c6c1.c16n[nH]cc15.C45 |
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