CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
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stringlengths 3
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|---|---|---|
84,302,010 | O=C(OCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)c(F)c1F | [O][=C][Branch2][Ring1][Branch1][O][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] |
101,270,049 | [S-][P+]([N-][P+](O[P+]([N-][P+]([S-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | [S-1][P+1][Branch2][=Branch1][=Branch1][N-1][P+1][Branch2][Ring2][#C][O][P+1][Branch2][Ring1][Branch2][N-1][P+1][Branch1][C][S-1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
63,636,680 | CCC(C(N)=O)n1c(CCN)nc2ccccc21 | [C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][Branch1][Ring2][C][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
116,784,298 | OC(CNc1cccc2cc(Br)cnc12)C(F)(F)F | [O][C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][O][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
118,148,750 | COc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][N][=N][Ring2][Ring1][Ring1] |
121,695,214 | CCOCCNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 | [C][C][O][C][C][N][C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S] |
134,343,335 | C=C1[C@H]2CC[C@]1(CN(CC(F)F)C(=O)c1coc(CS(C)(=O)=O)n1)C(=N)/C2=C\C(=N)c1c(F)cccc1F | [C][=C][C@H1][C][C][C@][Ring1][Branch1][Branch2][Ring1][P][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][O][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][#Branch2][C][=Branch1][C][=N][/C][Ring2][Ring1][=Branch2][=C][\C][=Branch1][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
17,270,668 | CCc1cc(C(=O)OC)c(NC(=S)NCc2cnn(C)c2)s1 | [C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=S][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][Ring2][Ring1][Ring2] |
123,367,750 | CC(=O)C(C)N=Nc1ccc(-c2nc3ccccc3s2)cc1 | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][=N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C] |
106,326,906 | COC(=O)c1cc(NCCN2CCSCC2)ccc1N | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][N][C][C][S][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N] |
64,475,548 | NC(=S)CN(C1CCCC1)C1CCOC1=O | [N][C][=Branch1][C][=S][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][O][C][Ring1][Branch1][=O] |
65,760,552 | CNCc1ccccc1S(=O)(=O)N(C)CC(C)C | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][C] |
131,620,966 | O=C(CBr)c1ccc(O)c(C(F)(F)F)c1Cl | [O][=C][Branch1][Ring1][C][Br][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][Cl] |
78,840,877 | CCS(=O)(=O)N1CCC(C(=O)Nn2cnc3ccccc32)(c2ccccc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
7,459,925 | CCC(CC)[NH+]1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 | [C][C][C][Branch1][Ring1][C][C][NH1+1][C][C][NH1+1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][C][C][Ring2][Ring1][Ring1] |
61,931,588 | CCNC(C)(COc1ccc(F)cc1)C(N)=O | [C][C][N][C][Branch1][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O] |
97,417,456 | CO[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)s1 | [C][O][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] |
63,048,482 | CCCNc1cc(-c2cccc(OC(F)F)c2)[nH]n1 | [C][C][C][N][C][C][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][NH1][N][=Ring1][#C] |
112,720,858 | O=C(O)/C(=C\c1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCCC2 | [O][=C][Branch1][C][O][/C][=Branch2][Ring1][Ring1][=C][\C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] |
115,176,477 | CC(=O)CC(=O)N(C)Cc1ccc2c(c1)CCCO2 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1] |
65,776,840 | CCCN(CC)S(=O)(=O)c1n[nH]c(C)c1CCl | [C][C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Cl] |
162,173,119 | CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ncnc3cc(-c4cccc5ccccc45)ccc23)c2sc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4ccccn4)ccc23)c2sc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4cocn4)ccc23)c2sc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-n4ccnc4)ccc23)c2sc3cccc(C)c3c2c1.[Ir].[Ir].[Ir].[Ir] | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C].[C][C][=C-1][C][Branch2][Ring1][S][C][=N][C][=N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S][=C][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring2][Ring2][C].[C][C][=C-1][C][Branch2][Ring1][=Branch2][C][=N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring1][N][=C][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][=C].[C][C][=C-1][C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][C][Branch1][Branch2][C][=C][O][C][=N][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring1][O][=C][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][=N].[C][C][=C-1][C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring1][O][=C][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][=N].[Ir].[Ir].[Ir].[Ir] |
143,833,974 | CC(C)CNC(=O)CON(C)C(=O)C1=CC=CCC=C1C=O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][Ring1][#Branch1][C][=O] |
3,852,515 | Cc1c(C(N)=O)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)n1Cc1ccc2c(c1)OCO2 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C][N][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
81,031,197 | CC(C)C1CCC(CNC2CC2)C(Cc2cccs2)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][P] |
2,106,089 | Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccc(C)cc3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][=N][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch2] |
33,594,846 | COC(=O)c1ccc(OC[C@H](O)CN2CCCc3cc(F)c(F)cc32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][O][C][C@H1][Branch1][C][O][C][N][C][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
107,070,598 | Cc1cccc(S(=O)(=O)N2CCCC(C)C2N=C=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][=O][=C][Ring2][Ring1][Ring1] |
121,446,643 | CCC(C)(C)C(=O)OCCC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O)C(C)O | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][=Branch2][=O][C][Branch1][C][C][O] |
135,674,704 | CCCC(=O)Nc1ccc(O)c(/C(C)=N/NC(=O)COc2ccccc2Cl)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][/C][Branch1][C][C][=N][/N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch1] |
63,127,129 | CCC1(C(=O)O)CCN(C(=O)N(CCO)CCO)CC1 | [C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][C][Ring2][Ring1][C] |
90,096,682 | C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3cc(CCCO)[nH]c3c2)CC1)c1ccc(F)cc1 | [C][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch1][C][C][C][O][NH1][C][Ring1][=Branch2][=C][Ring1][=N][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
135,820,681 | O=C(CC[NH+]1CCOCC1)N/N=C/c1cc(I)cc(I)c1O | [O][=C][Branch1][O][C][C][NH1+1][C][C][O][C][C][Ring1][=Branch1][N][/N][=C][/C][=C][C][Branch1][C][I][=C][C][Branch1][C][I][=C][Ring1][Branch2][O] |
24,434,396 | CC/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(OC)c(OC)c1 | [C][C][/C][=Branch2][Ring1][P][=N][\N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
102,188,019 | O=C1C([P+]([O-])([O-])O)CC(O)N1O | [O][=C][C][Branch1][=Branch2][P+1][Branch1][C][O-1][Branch1][C][O-1][O][C][C][Branch1][C][O][N][Ring1][#Branch2][O] |
90,929,867 | O=C1c2c(O)cc(O)cc2[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21 | [O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@@][Branch1][C][O][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][C][O][=C][Ring1][=Branch2][Ring2][Ring1][#C] |
87,918,639 | Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N(C)C)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][S][N][Branch1][Ring1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][=C][Ring2][Ring1][#Branch2] |
58,157,978 | C=CCn1c(=O)[nH]c2cccc(OC)c2c1=O | [C][=C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O] |
11,841,725 | CC(c1ccc(-c2ccccc2)c(F)c1)c1nn2c(COc3ccc(F)cc3)nnc2s1 | [C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][C][=N][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][Ring1][P] |
40,104,073 | CN(C)S(=O)(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3C[C@@H]3CCCO3)o2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C@@H1][C][C][C][O][Ring1][Branch1][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
87,709,632 | COc1ccc(C(C=O)c2ccc(O)c(OC)c2)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][Ring1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] |
65,884,425 | CCc1nn(CC)c(CC(C)C(CC)NC)c1Br | [C][C][C][=N][N][Branch1][Ring1][C][C][C][Branch1][=N][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][N][C][=C][Ring1][#C][Br] |
21,733,460 | CS(=O)(=O)c1ccc(C(=O)c2cc(C3CC3)on2)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][P] |
162,386,901 | CS(=O)(=O)N1CCN(C2CCC(C(=O)Nc3nc(-c4ccccc4Cl)cs3)CC2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
136,713,356 | Cc1cc(=O)[nH]c(N/N=C\c2ccc(O)cc2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][#C][N][/N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][Ring1][P] |
25,284,262 | CCCCc1ccc(NC(=O)Cn2cnc3c(nnn3C)c2=O)cc1 | [C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][#Branch1][N][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] |
103,505,707 | CCNC(=O)c1sc(NCC(F)F)c(SC)c1N | [C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][C][C][Branch1][C][F][F][=C][Branch1][Ring1][S][C][C][=Ring1][N][N] |
9,270,475 | COc1ccc(C)cc1CC(=O)NCc1ccc(F)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
138,657,036 | C=C/C(CCCCCOC)=N\OC | [C][=C][/C][Branch1][Branch2][C][C][C][C][C][O][C][=N][\O][C] |
144,314,013 | CN1[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(O)Nc1ccc(C(=O)O)cc1 | [C][N][C@@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C@][Branch1][Ring1][C][#N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C@@H1][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C@@H1][Ring2][Ring1][N][C][Branch1][C][O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
12,523,519 | CCn1cc(-c2ccc3c(c2)OCO3)cnc1=O | [C][C][N][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][C][Ring1][#C][=O] |
168,603,126 | NC(N)=NC(N)=Nc1c(Cl)cccc1OC(F)(F)F | [N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F] |
132,999,795 | CCCCCCCCCCCCCCCC(=O)OCC(COCCC(C(=O)O)[N+](C)(C)C)OC(=O)CCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C] |
116,959,535 | CNC(C1CCCC1)C1(CO)COC1 | [C][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][C][O][C][O][C][Ring1][=Branch1] |
138,961,526 | O=C(Cc1ccccc1Br)Oc1ccc(C=C2SC(=O)NC2=O)cc1Br | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][C][=C][C][=C][Branch1][=N][C][=C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][Br] |
113,414,400 | COC1CCC(Nc2c(Cl)cccc2Cl)CC1 | [C][O][C][C][C][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] |
140,635,834 | N#CC(=CC1CCNCC1)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 | [N][#C][C][=Branch1][#Branch2][=C][C][C][C][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][F][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch2][C][Ring2][Ring1][=C] |
91,718,657 | CCCCC(NC(=O)OC)C(=O)OCC(C)C | [C][C][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
79,710,763 | CN(C)CCN(C)Cc1cc(F)cc(C#CCCO)c1 | [C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch1][C][#C][C][C][O][=C][Ring1][N] |
89,507,627 | COC[C@@H]1OC(CO)[C@@H](COC[C@@H]2O[C@@H](CO)[C@@H](C)C(O)C2O)[C@@H](COC[C@H]2OC(COC(C)=O)[C@@H](O)[C@@H](O)C2COC[C@@H]2OC(C(=O)O)[C@@H](COC[C@@H]3OC4COC(C)(OC=O)O[C@H]4[C@@H](O)C3O)[C@@H](O)C2O)C1O | [C][O][C][C@@H1][O][C][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][#Branch1][C][O][C][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][C][Branch1][C][O][C][Ring1][#Branch2][O][C@@H1][Branch2][#Branch1][C][C][O][C][C@H1][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][=N][C][O][C][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][=C][C][O][C][C@@H1][O][C][C][O][C][Branch1][C][C][Branch1][Ring2][O][C][=O][O][C@H1][Ring1][#Branch2][C@@H1][Branch1][C][O][C][Ring1][#C][O][C@@H1][Branch1][C][O][C][Ring2][Ring1][=N][O][C][Ring2][=Branch1][#Branch1][O] |
17,272,343 | COc1cc(OC)cc(C(=O)NNC(=S)Nc2cc(F)cc(F)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1] |
79,997,429 | Cc1cc(C(O)C2=CCCC2)sc1Br | [C][C][C][=C][Branch1][N][C][Branch1][C][O][C][=C][C][C][C][Ring1][Branch1][S][C][=Ring1][N][Br] |
111,374,976 | CCNC(=NCc1cccc(C(N)=O)c1)NCc1ccccc1CN1CCOCC1.I | [C][C][N][C][=Branch2][Ring1][C][=N][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Ring1][=Branch1].[I] |
159,134,760 | CC1=[N+](Cc2ccccc2)CC(C)c2ccccc21 | [C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] |
84,209,895 | CN1CCCNCC1(C)c1ccc(Br)cc1 | [C][N][C][C][C][N][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
101,893,075 | CCN(CC)C(=O)c1ccc(/C=C/c2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
65,209,798 | CCCNCc1snnc1-c1ccc(C(C)(C)C)cc1 | [C][C][C][N][C][C][S][N][=N][C][=Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
159,100,586 | Cc1ccncc1-c1c(C)cc(CS(C)(=O)=O)cc1C | [C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C] |
55,012,956 | CN(C)CCOc1cc2c(cc1C(=O)O)OCO2 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][O][C][O][Ring1][#Branch2] |
57,976,880 | Cc1cc(-c2ccc(-c3nnc(-c4ccccc4)n3C)cc2)cc(-c2nnc(-c3ccccc3)n2C)c1 | [C][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring2][Ring2] |
18,919,658 | CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCO)cc2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
45,133,063 | CCOc1ccc(-c2cc(C(=O)NCC(C)N3CCN(C)CC3)no2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
160,106,610 | [C-]#[N+]CCSC1=C(C)S/C(=C2\SC(C)=C(SCCC)S2)S1 | [C-1][#N+1][C][C][S][C][=C][Branch1][C][C][S][/C][=Branch1][P][=C][\S][C][Branch1][C][C][=C][Branch1][Branch1][S][C][C][C][S][Ring1][#Branch2][S][Ring1][S] |
44,667,818 | COc1cc2c(cc1OC)C1(CCCCC1)C[NH2+]C2.[Cl-] | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][NH2+1][C][Ring1][#C].[Cl-1] |
4,383,881 | O=P(Nc1ccc(Br)cc1)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F | [O][=P][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F] |
5,938,997 | Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C\c1ccccc1C(=O)O | [N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Branch1][C][=O][N][/N][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
100,451,639 | CSc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O | [C][S][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=C][Ring2][Ring1][#Branch1][N][C][Branch1][C][C][=O] |
1,712,409 | O=C([O-])[C@H]1OC12CCCC2 | [O][=C][Branch1][C][O-1][C@H1][O][C][Ring1][Ring1][C][C][C][C][Ring1][Branch1] |
70,220,314 | CC(=O)Oc1ccc2c3c1OC1C(N(CC(C)C)C(=O)/C=C/c4cc(Br)cs4)CC[C@@]4(OC(C)=O)[C@@H](C2)N(CC2CC2)CC[C@]314 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][#Branch2][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][C][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][Branch1][C][Ring2][Ring1][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@][Ring2][Ring2][Branch1][Ring2][Ring2][C][Ring1][#C] |
18,656,604 | FC(F)Oc1ccc(-c2ccc(CCC3CCC(C4CCC(/C=C/Cl)CC4)CC3)cn2)cc1 | [F][C][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][C][C][Branch1][=C][C][C][C][C][Branch1][Ring2][/C][=C][/Cl][C][C][Ring1][=Branch2][C][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
142,476,050 | CC(C)(C(=O)N1CCOc2cc(C#N)ccc2C1)C(F)F | [C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][Ring1][=N][C][Branch1][C][F][F] |
137,117,681 | C=C(Oc1ccc([N-]C(N)=O)cc1F)C1=[S+]C(=C2C=CCC=C(CN(C)CCN(C)CC)C=C2)C=C1N=CC | [C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][#Branch1][N-1][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][F][C][=S+1][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][C][=C][Branch1][=C][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch1][N][=C][C] |
10,212,456 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O].[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C] |
142,945,065 | C=CC1(C)CCC2c3cc(CC)c(O)cc3CCC2C1CCCC.C=CCCC.CC | [C][=C][C][Branch1][C][C][C][C][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][C][Ring1][=N][C][Ring2][Ring1][C][C][C][C][C].[C][=C][C][C][C].[C][C] |
168,652,823 | COc1ccc(S(=O)(=O)CCO)cc1NC=O | [C][O][C][=C][C][=C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][=C][Ring1][N][N][C][=O] |
144,743,616 | Cc1cc(F)c2c(c1)[C@H](N(C(=O)c1cccnc1)[C@@H](C(N)=O)c1ccccc1C)CC2 | [C][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][P][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][#Branch2] |
59,721,559 | CCc1cnc(C2CCc3ccccc3N2C(=O)C(C)N)[nH]1 | [C][C][C][=C][N][=C][Branch2][Ring1][Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][N][NH1][Ring2][Ring1][Ring2] |
59,979,060 | CC(=Nc1ccccc1)c1cccc(C(C)=Nc2c(C)c(C)c(N=C(C)c3cccc(C(C)=Nc4ccccc4)n3)c(C)c2C)n1.Cl[Fe]Cl.Cl[Fe]Cl | [C][C][=Branch1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][Branch1][C][C][=N][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch2][Ring1][=N][N][=C][Branch1][C][C][C][=C][C][=C][C][Branch1][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][O][C][=N][Ring2][Ring2][Branch1].[Cl][Fe][Cl].[Cl][Fe][Cl] |
82,287,180 | CC(Cc1n[nH]c(=S)o1)c1ccn(C)c1 | [C][C][Branch1][N][C][C][=N][NH1][C][=Branch1][C][=S][O][Ring1][=Branch1][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1] |
156,335,689 | CC(C)N1CC2C(C1)C2C(=O)N(C)C(C)C | [C][C][Branch1][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C] |
32,338,546 | COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch2] |
104,609,699 | COC1(c2noc(CC(C)C3CCCNC3)n2)CCCC1 | [C][O][C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][C][Branch1][C][C][C][C][C][C][N][C][Ring1][=Branch1][=N][Ring1][=C][C][C][C][C][Ring2][Ring1][Ring1] |
21,075,744 | CN(C)Nc1c(N)cnc2ccccc12 | [C][N][Branch1][C][C][N][C][=C][Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
102,040,936 | O[C@@H]1CCCC[C@H]1NCCN[C@H]1CCCC[C@@H]1O | [O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][C][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O] |
154,142,297 | COc1cc2c(cc1OC)N(C(=O)CCl)c1ccccc1S2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C] |
118,187,770 | C[C@@H](CC#N)c1nn[nH]n1 | [C][C@@H1][Branch1][Ring2][C][C][#N][C][N][=N][NH1][N][=Ring1][Branch1] |
132,640,188 | CCC(C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O | [C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
144,267,931 | C1=C(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)cc2)c2sc3ccccc3c2CC1 | [C][=C][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring2][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Ring2][Branch1][O] |
169,101,922 | Cn1cc(NC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)cn1 | [C][N][C][=C][Branch2][Ring1][N][N][C][C@H1][C][C@@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][O][Ring1][=N][C][=N][Ring2][Ring1][Ring2] |
139,611,507 | CC=CO[C@H]1O[C@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2N2C(=O)c3ccccc3C2=O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | [C][C][=C][O][C@H1][O][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Branch1][Branch1][O][C@@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |