CID
int64 8
172M
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large_stringlengths 1
3.78k
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stringlengths 3
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|---|---|---|
67,740,497 | C=CCc1c(C#CC2(O)CN3CCC2CC3)ccc(C(=O)OC(C)OC)c1C(C)C | [C][=C][C][C][=C][Branch2][Ring1][C][C][#C][C][Branch1][C][O][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1][C][=C][C][Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][O][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][C][C] |
89,178,873 | C=CC1COC(/C=C/C)O1 | [C][=C][C][C][O][C][Branch1][Ring2][/C][=C][/C][O][Ring1][Branch2] |
84,423,270 | O=C(Nc1ccc(NCc2ccccc2F)nc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
157,341,262 | CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1.CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1.CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1.Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=N][C][C][=C][C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1][O][=C][Branch1][C][O][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring2][Ring2][=Branch2].[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][S].[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2].[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][P][N][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Branch1][C][O][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2].[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Branch1][C][O][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1].[C][C][=C][C][Branch1][P][N][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] |
15,314,172 | O=C1CC[C@@H](Cc2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 | [O][=C][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
23,967,996 | C(=Nc1ccc2cn[nH]c2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | [C][=Branch1][#C][=N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
90,293,557 | Brc1csc(-c2c(-c3ccncc3)nc(-c3ccc(Br)s3)c3nonc23)c1 | [Br][C][=C][S][C][Branch2][Ring2][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][=N][O][N][=C][Ring2][Ring1][Branch1][Ring1][Branch1][=C][Ring2][Ring1][#Branch2] |
108,767,379 | Cc1ccc(Nc2ccccc2NC(=O)CCCOc2ccccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][O] |
112,716,458 | CCc1cc2c(o1)C(O)(C(=O)O)C(C)C2 | [C][C][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Ring1][O] |
96,020,402 | O=C1C[C@]2(C(=O)O)CCCc3cccc1c32 | [O][=C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][Ring1][=C][=C][Ring1][=Branch1][Ring1][=N] |
210,528 | O=c1c(-c2ccccc2)c(OCCN2CCCCCC2)nc2cnccn12 | [O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=N][O][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][C][=N][C][=C][N][Ring2][Ring1][#Branch2][Ring1][=Branch1] |
124,862,030 | Cc1ccc([C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
87,024,952 | CCc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
107,154,547 | CC(C)(C)CC1CN=C(NCCC(=O)NC2CC2)S1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][N][=C][Branch1][=C][N][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][=C] |
133,599,871 | Cc1cc(C)cc(OCCN(C)C(=O)COC(=O)C(C)OCC2CCCO2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][O] |
86,299,624 | Nc1cc(F)ccc1NC(=O)c1ccc2nn(Cc3ccc(F)c(F)c3)cc2c1 | [N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Ring2][Ring1][C] |
32,378,032 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1nnc2ccccn12 | [C][C][Branch1][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] |
16,845,360 | CCc1cnc2c(c1Nc1ccc(C)cc1C)c(=O)n(C)c(=O)n2C | [C][C][C][=C][N][=C][C][=Branch1][P][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C] |
135,247,335 | Cc1ccccccc(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=C][C][C][=C][C][=C][C][=Ring1][=Branch1][O][C][Ring1][=Branch2][=C][C][=C][C][=C][C][=Ring1][P][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Branch1][Ring1] |
100,693,178 | COC1(c2noc(-c3cccc(N4CCCNC4=O)c3)n2)CCC1 | [C][O][C][Branch2][Ring1][#C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][N][C][Ring1][=Branch1][=O][=C][Ring1][=N][=N][Ring2][Ring1][C][C][C][C][Ring2][Ring1][=Branch1] |
160,684,182 | N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)O)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc4ncccc4c3)cc2)cc1.Oc1ccc2ncccc2c1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1].[N][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][P].[O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
90,198,288 | CC(C)CN(CCCNC[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(C(NC(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)cc1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=C][C][C][C][N][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P] |
21,944,682 | Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[C-]#Cc1ccccc1.[NH-]c1ccccc1.[Ti] | [C][C][C][Branch1][C][C][=C][Branch1][C][C][C-1][Branch1][C][C][C][=Ring1][Branch2][C].[C][C][C][Branch1][C][C][=C][Branch1][C][C][C-1][Branch1][C][C][C][=Ring1][Branch2][C].[C-1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1].[NH1-1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Ti] |
112,628,178 | O=C(O)/C=C/c1csc(CN2CCC(CO)C2)c1 | [O][=C][Branch1][C][O][/C][=C][/C][=C][S][C][Branch1][=N][C][N][C][C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1][=C][Ring1][=N] |
9,816,744 | CCCCN1/C(=C\C(=O)NO)Sc2ccccc21 | [C][C][C][C][N][/C][=Branch1][Branch2][=C][\C][=Branch1][C][=O][N][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
87,532,792 | N#CN1CSC=C1Oc1ccc(F)cc1-c1ccc(F)cc1 | [N][#C][N][C][S][C][=C][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
91,814,963 | O=C1COC(=O)N1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 | [O][=C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][C][Ring2][Ring1][Ring1] |
5,412,659 | CSc1ccc(/C=N\NC(=O)c2cccnc2)cc1 | [C][S][C][=C][C][=C][Branch1][S][/C][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] |
164,030,661 | CO[C@H]1O[C@@]2(CO)CC(OCc3ccccc3)C2C1CO | [C][O][C@H1][O][C@@][Branch1][Ring1][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring1][P][C][O] |
67,386,825 | O=C1N(OCc2ccccc2)CC12CCN(Cc1ccccc1)CC2 | [O][=C][N][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
86,099,050 | CCCCCCC1(CCCCCC)Cc2ccccc2C1=O | [C][C][C][C][C][C][C][Branch1][#Branch1][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] |
17,087,539 | CSc1cccc(NC(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
55,608,546 | CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC1CCCCC1C(F)(F)F | [C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
134,889,498 | C=CCB(CC=C)[C@H]1C[C@@]1(C)CC=C | [C][=C][C][B][Branch1][Ring2][C][C][=C][C@H1][C][C@@][Ring1][Ring1][Branch1][C][C][C][C][=C] |
159,028,575 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(=O)C2CN(C(=O)OC(C)(C)C)CCN2)C(C)O)CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O | [C][C][Branch1][C][C][C][C@@H1][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][=Branch1][C][=O][C@@H1][Branch2][=Branch1][Ring1][C][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][Branch2][Ring1][=N][C][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=N][C][Branch1][C][C][O][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][C][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][Branch2][#Branch2][=O] |
115,826,137 | CCNC(Cc1ccc(F)cc1F)CC(C)CC(C)(C)C | [C][C][N][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] |
97,034,998 | Cc1ccc(C[C@@H](C#N)CO)s1 | [C][C][=C][C][=C][Branch1][=Branch2][C][C@@H1][Branch1][Ring1][C][#N][C][O][S][Ring1][O] |
14,221,869 | CCCC1C(S(=O)(=O)c2ccccc2)CCC(=O)N1Cc1ccccc1 | [C][C][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
37,134,579 | Cc1nc(N)cc(-c2ccccc2)c1C | [C][C][=N][C][Branch1][C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C] |
117,244,954 | Cc1ccc(C(CN)COc2ccc(C(F)(F)F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][Ring1][C][N][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
169,028,140 | CS(=O)(=O)c1c2c(c(O)c3ccccc13)C(O)OC(O)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][O][O][C][Branch1][C][O][C][Ring1][S] |
7,169,093 | C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1ccc(F)cc1 | [C][C@@H1][Branch2][Ring1][O][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
104,443,825 | CCC(NCCCn1ccnn1)c1ccccc1OC | [C][C][C][Branch1][N][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
74,737,951 | CCc1ccc(-n2c(C)c(C)[n+]3c2N=C2C3C(=O)N(CCN3CCCCC3)C(=O)N2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][N][N][C][Branch1][C][C][=C][Branch1][C][C][N+1][=C][Ring1][#Branch1][N][=C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][Ring2][Ring1][#C] |
121,912,017 | CC(CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)CC(=O)O | [C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][C][=Branch1][C][=O][O] |
113,556,070 | CCOC(CC)C(Cc1cc(F)ccc1Br)NC | [C][C][O][C][Branch1][Ring1][C][C][C][Branch1][=C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][N][C] |
82,077,556 | Cc1ccc(OC(C)(C)CC(C)N)cc1 | [C][C][=C][C][=C][Branch1][#C][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][N][C][=C][Ring1][=C] |
138,729,192 | Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc6c(c5)c5ccc(-c7ccc(C)cc7)cc5n6-c5cc(-c6nc(C)nc(C)n6)c(-n6c7ccccc7c7ccc(-c8ccc(C)cc8)cc76)cc5C#N)ccc43)cc2C#N)cc1 | [C][C][=C][C][=C][Branch2][=C][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Branch2][#Branch2][#Branch1][N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][Branch2][Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Ring1][P][C][=C][C][Branch1][#C][C][=N][C][Branch1][C][C][=N][C][Branch1][C][C][=N][Ring1][Branch2][=C][Branch2][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][C][C][#N][=C][C][=C][Ring2][Branch1][=C][Ring2][=Branch1][N][C][=C][Ring2][Branch2][Ring2][C][#N][C][=C][Ring2][=Branch2][=Branch2] |
126,328,683 | CCOc1cc(C=Nn2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)c(Br)cc1OCc1cccc(C)c1 | [C][C][O][C][=C][C][Branch2][Ring1][=N][C][=N][N][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][=C][Branch1][C][Br][C][=C][Ring2][Ring1][=Branch2][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] |
79,355,674 | CC(C)(O)CCNC1CC2CCC1C2 | [C][C][Branch1][C][C][Branch1][C][O][C][C][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
17,018,430 | COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch2][Ring1][O][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][N] |
62,484,264 | CC(C)NCc1ccoc1COc1cccc(I)c1 | [C][C][Branch1][C][C][N][C][C][C][=C][O][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] |
121,034,346 | CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch2] |
2,042,278 | Cc1ccc(-c2nnc(SCc3ccccc3C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] |
154,527,346 | CC/C(C)=N\OC(C)(C)C | [C][C][/C][Branch1][C][C][=N][\O][C][Branch1][C][C][Branch1][C][C][C] |
154,494,819 | CCCCCCCCc1c(C(=O)[O-])cc(C(=O)[O-])c(CCCCCCCC)c1C(=O)[O-] | [C][C][C][C][C][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][C][C][C][C][C][C][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O-1] |
143,929,147 | CC[C@@H](CC1COC(N)=N1)Oc1ccc(F)c(F)c1 | [C][C][C@@H1][Branch1][N][C][C][C][O][C][Branch1][C][N][=N][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
154,705,555 | NCc1cccc(N2CN(C(=O)CCl)Cc3ccccc32)c1 | [N][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][Ring2] |
7,179,366 | CCS(=O)(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
2,661,926 | CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)ccc1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=Branch1][C] |
9,872,462 | O=C(NCCNC1=NCCCN1)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)s1 | [O][=C][Branch1][=N][N][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][S][Ring2][Ring1][#Branch1] |
4,574,727 | CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)sc2cc(C)ccc21 | [C][C][N][C][=Branch2][Ring2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][S][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
132,292,364 | CCOc1ncc(C(=O)N2CCCCCCC2)cc1Cl | [C][C][O][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch2][C][=C][Ring1][S][Cl] |
100,065,946 | O=C(CCc1ccc(F)cc1F)N(Cc1ccncc1)C[C@@H]1CCCO1 | [O][=C][Branch1][#C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@@H1][C][C][C][O][Ring1][Branch1] |
132,722,667 | CCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
67,730,534 | C/C=C/CCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCC)c(F)c4F)cc3)cc2F)CC1 | [C][/C][=C][/C][C][C][C][C][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][C][C][Branch1][C][F][=C][Ring1][=N][F][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][F][C][C][Ring2][Ring1][P] |
88,562,970 | CC[C@H](C(C)=O)N(CC)CC | [C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][N][Branch1][Ring1][C][C][C][C] |
27,231,412 | CCn1nnc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)ccc21 | [C][C][N][N][=N][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N] |
146,653,705 | N#Cc1ccc(-c2cc(-c3ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc4c3)cc3ccccc23)cc1 | [N][#C][C][=C][C][=C][Branch2][Branch1][#Branch2][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][=C][C][=C][C][=C][C][=C][Ring2][Ring2][C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2] |
124,885,850 | CC(C)(C)CS(=O)(=O)N[C@H]1CCO[C@]2(CCSC2)C1 | [C][C][Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][O][C@][Branch1][#Branch1][C][C][S][C][Ring1][Branch1][C][Ring1][#Branch2] |
135,642,568 | COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O | [C][O][C][=C][C][Branch2][Ring2][=Branch1][/C][=N][/N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][O] |
83,100,236 | CCNCC1COCCN1CC1Cc2ccccc2O1 | [C][C][N][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
104,673,960 | CCCCCCOC1CC(Br)C1OC | [C][C][C][C][C][C][O][C][C][C][Branch1][C][Br][C][Ring1][Branch1][O][C] |
133,984,620 | CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(C)CCCC1 | [C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
156,975,367 | CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][=Branch1][C][=O][C][=C][C@@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@@H1][Branch1][C][O][C][O] |
106,369,120 | Cc1cnc(CNS(=O)(=O)c2ccc(N)nc2)o1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][O][Ring1][P] |
87,785,994 | CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4N4CCC[C@@]4(C)C(N)=O)ncn3)cccc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring2][#C][O][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][Branch1][C][N][=O][=N][C][=N][Ring2][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][S][S][Ring2][Ring2][Ring1] |
70,318,860 | COC1=NC(N)C(C)(Cl)C=C1C(=O)N[C@H]1CCN(CC(=O)OCc2ccc(OC)c(OC)c2OC)C[C@H]1OC | [C][O][C][=N][C][Branch1][C][N][C][Branch1][C][C][Branch1][C][Cl][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][C][C@H1][Ring2][Ring1][#Branch1][O][C] |
8,322,823 | Cc1ccc2n1CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H]2C | [C][C][=C][C][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@H1][Ring2][Ring1][Ring2][C] |
124,712,830 | O=C1[C@H]2[C@@H](C(=O)[C@@H]3O[C@H]13)[C@H]1C=C[C@H]2C1 | [O][=C][C@H1][C@@H1][Branch1][N][C][=Branch1][C][=O][C@@H1][O][C@H1][Ring1][Branch2][Ring1][Ring1][C@H1][C][=C][C@H1][Ring1][O][C][Ring1][Branch1] |
161,495,625 | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)c4O)n3)n2)c1O.[Mn+3] | [C][C][=Branch1][C][=O][O-1].[C][C][=Branch1][C][=O][O-1].[C][C][=Branch1][C][=O][O-1].[C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][=N][Ring1][=C][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][O].[Mn+3] |
12,642,965 | Clc1ccc(N=NOc2ccc(Cl)cc2)cc1 | [Cl][C][=C][C][=C][Branch1][#C][N][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S] |
146,597,950 | O=C(O)CCN(C(=O)C(F)(F)F)c1ccc(O)c(O)c1 | [O][=C][Branch1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
29,053,362 | CCOc1ccc(CNc2ccc(OC(F)F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
165,005,901 | CN(C(=O)Cc1cccc(N)c1)C1CCC(=O)CC1=O | [C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=O] |
6,719,491 | COc1cc(C=O)cc(I)c1O[C@H]1C=C(C(=O)NCCO)C[C@@H](N(C(=O)C2CCCC2)C2CCCCC2)[C@@H]1O | [C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][C][I][=C][Ring1][=Branch2][O][C@H1][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Branch2][Ring1][#Branch1][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Ring2][Ring1][#Branch2][O] |
160,348,017 | O=[N+]([O-])c1ccccc1-c1ccc2c(ccn2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3ccc4c5[nH]c6ccccc6c5ccc43)n2)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][N][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][O].[C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=C][Ring1][=N][Ring1][S][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
100,817,989 | Cc1cc([N+](=O)[O-])cc2nc(-c3cc(Br)c[n+](C)c3)oc12 | [C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][N][=C][Branch1][#C][C][=C][C][Branch1][C][Br][=C][N+1][Branch1][C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][Ring2][=Ring1][=N] |
46,590,862 | CNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)ccc2F)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C] |
113,234,791 | CC(NCc1cnn(C(C)C)c1)c1ccc(Cl)s1 | [C][C][Branch1][P][N][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
147,828,064 | C[C@H]1NC(=O)CCC(=O)[C@H](Cc2c[nH]c3cccc(Br)c23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@@H](C)CC(=O)CN(C)C(=O)/C(=C/c2ccccc2)NC1=O | [C][C@H1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Branch1][=C][=O] |
116,483,800 | CCCc1nc(Br)cc(-c2cccc3cnccc23)n1 | [C][C][C][C][=N][C][Branch1][C][Br][=C][C][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][P] |
117,740,049 | C=CC(=O)OCCN(CO)CCO | [C][=C][C][=Branch1][C][=O][O][C][C][N][Branch1][Ring1][C][O][C][C][O] |
98,293,991 | Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 | [C][N][C][=C][N][=C][Ring1][Branch1][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@H1][C][C@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
99,773,530 | CCO[C@@H]1CCCN(C(=O)c2cc(CC(C)C)[nH]n2)C1 | [C][C][O][C@@H1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][NH1][N][=Ring1][=Branch2][C][Ring1][P] |
65,495,483 | CC(c1cccc(Cl)c1)N(C)CC1(CC(=O)O)CC1 | [C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][#Branch1] |
143,187,204 | CC1=CCc2cccnc2N2CCN(C)CC12 | [C][C][=C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][S][Ring1][#Branch1] |
145,139,175 | CC.CCCN.CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(N(N)/C=C\N)cc2)CC1.Fc1ccc(C2CC2)cc1 | [C][C].[C][C][C][N].[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][Branch1][C][N][/C][=C][\N][C][=C][Ring1][O][C][C][Ring2][Ring1][#Branch1].[F][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2] |
57,361,071 | CCOC(=O)N(C=S(=O)=O)Cc1ccc([N+](=O)[O-])cc1 | [C][C][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][=S][=Branch1][C][=O][=O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
69,711,502 | COc1ccc(OC)c(C=Cc2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][N][C][Ring1][#Branch1][=O][=C][C][=N][Ring1][S][=C][Ring2][Ring1][#Branch2] |