CID
int64 8
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58,527,081 | CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)OCC(NC(=O)COCC(=O)NCCOCCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1)C(C)C | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][O][C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C][Ring1][=C][N][=N][Ring2][Ring1][#Branch1][C][Branch1][C][C][C] |
169,740,946 | COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)NC4C5CN(C(=O)[C@@H]6C[C@@H](O)CN6)CC54)c(Cl)c3)n2C)c(F)c1F | [C][O][C][=C][C][=C][Branch2][Branch1][S][C][=C][N][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][C][Ring1][=N][Ring1][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2][N][Ring2][Ring1][S][C][C][Branch1][C][F][=C][Ring2][Ring2][Branch2][F] |
148,726,720 | Nc1nc(O[C@H](c2ccc3c(c2)CCCN3)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 | [N][C][=N][C][Branch2][Ring1][=N][O][C@H1][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=N][Ring2][Ring2][Ring1] |
100,559,633 | Cc1cccc2nc(CN3C[C@H](C)OC[C@H]3C)cn12 | [C][C][=C][C][=C][C][=N][C][Branch1][=C][C][N][C][C@H1][Branch1][C][C][O][C][C@H1][Ring1][#Branch1][C][=C][N][Ring2][Ring1][C][Ring1][=C] |
142,212,067 | CNC(=O)C(C)(C)CCC(=O)CCC(=O)CCC(C)(C)C(=O)NC | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C] |
134,851,644 | COc1ccc2c(c1)CC(C(=O)C(=O)OC(C)(C)C)C2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][=O] |
68,450,464 | CCCC(F)OC(=O)NCc1cccc(C(CP(=O)(OCC)C(NS(=O)(=O)CCCc2ccccc2)C(C)C)C(=O)O)c1 | [C][C][C][C][Branch1][C][F][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][S][C][Branch2][Ring2][#Branch1][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][P] |
53,362,860 | CC1(C)CCc2c(nc3c(Cl)cccc3c2Cl)C1 | [C][C][Branch1][C][C][C][C][C][=C][Branch1][P][N][=C][C][Branch1][C][Cl][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][Cl][C][Ring1][P] |
99,818,434 | CC(=O)c1ccc(NCc2csc(-c3ccccc3F)n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
6,648,875 | COC(=O)N1C(=O)[C@H]2[C@H](CC=C3[C@H]2C[C@H]2C(=O)N(Nc4ccc(F)cc4)C(=O)[C@@]2(c2ccc(Cl)cc2)[C@H]3c2cccc(C)c2O)C1=O | [C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][C@H1][Branch2][Branch1][S][C][C][=C][C@H1][Ring1][=Branch1][C][C@H1][C][=Branch1][C][=O][N][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C@@][Ring1][#C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring2][#Branch2][=O] |
121,932,518 | Cn1nccc1COCC(=O)Nc1cccc(CCC(=O)O)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring1][O] |
154,404,684 | Cc1ccccc1N1CCN(c2ccc(C([O-])=NC3CC3)cc2N)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][Branch1][C][O-1][=N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][C][Ring2][Ring1][Ring1] |
133,510,134 | CC(C)c1nccc(NC2CCN(Cc3ccc(F)cc3)C2=O)n1 | [C][C][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][=N][Ring2][Ring1][Branch1] |
91,671,222 | CSc1ncc(CNC(CC(C)C)C(=O)O)cn1 | [C][S][C][=N][C][=C][Branch1][P][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=N][Ring1][S] |
73,057,372 | Cc1ccc(C(=O)c2c(CC(C)(C)C)csc2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][=Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] |
65,060,953 | CCN(C(C)CC(=O)O)C1CCOC(C)C1 | [C][C][N][Branch1][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1] |
60,278,860 | CN(C)c1nnc(SCc2c(F)cccc2Cl)s1 | [C][N][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][#C] |
8,056,591 | CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC | [C][C][S][C][=N][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] |
107,190,089 | CN(Cc1cccs1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)O | [C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
70,405,143 | CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)C[C@]4(C)C3=CC[C@]12C | [C][C][=Branch1][C][=O][C][=C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][=C][C][C@][Ring2][Ring1][Ring2][Ring1][P][C] |
130,245,568 | CC(NC(=O)C1CC1c1cn(C)c2ccccc12)c1ccc(OCC(F)(F)F)s1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][O] |
70,804,188 | COC(=O)CCc1ccc(C[C@@H](CCCc2ccccc2)[C@H](O)c2cc(CO)c(C)c(CO)c2)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][C][C][Branch1][Ring1][C][O][=C][Ring1][O][C][=C][Ring2][Ring1][=C] |
7,539,389 | COc1cccc2sc(N3CCN(C(=O)c4ccccc4C)CC3)nc12 | [C][O][C][=C][C][=C][C][S][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][=N][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] |
135,830,241 | Nc1cc(=O)[nH]c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 | [N][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch2][S][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
120,194,997 | CSCCC(=O)N(C1CC1)C(C)C(=O)O | [C][S][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][O] |
49,726,203 | COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)NC2CC2)CC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N] |
113,302,336 | Cc1ccc(CCc2nnc(CBr)n2C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=N][N][=C][Branch1][Ring1][C][Br][N][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] |
3,617,411 | C=CCN(CC1OC(c2ccc(CNC(=O)NCC)cc2)OC(c2ccc(CO)cc2)C1C)C1CCCC1 | [C][=C][C][N][Branch2][Ring2][S][C][C][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][=C][Ring1][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring2][Ring1][O][C][C][C][C][C][C][Ring1][Branch1] |
142,966,880 | C=C/C(=C\CC)c1noc(C(N)C(C)(C)C)n1 | [C][=C][/C][=Branch1][Ring2][=C][\C][C][C][=N][O][C][Branch1][=N][C][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][O] |
97,030,397 | CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] |
126,055,534 | Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring2][#Branch1] |
46,704,954 | N#Cc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N] |
125,859,659 | O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 | [O][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][/C][Ring2][Ring1][Branch2][=C][/C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
9,263,192 | COc1ccc(C)cc1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
79,994,210 | CC1CC(N)CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 | [C][C][C][C][Branch1][C][N][C][N][Branch2][Ring1][=Branch1][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][C][Ring2][Ring1][Ring2] |
83,700,577 | Nc1cc(C2CCCC2)nc2ccnn12 | [N][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=N][N][Ring1][=C][Ring1][Branch1] |
51,433,388 | CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cc(C)sc1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C@H1][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][C@@H1][Ring2][Ring1][=Branch2][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C] |
47,049,753 | CCOCCCCNC(=O)Nc1ccc(N2CCCC2)c(C)c1 | [C][C][O][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][N] |
167,029,671 | C1=CC2=CC(c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c(-c6cccc7oc8ccccc8c67)cccc45)n3)=CCC2C=C1 | [C][=C][C][=C][C][Branch2][=Branch1][Ring1][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][=N][Ring2][Ring2][#Branch1][=C][C][C][Ring2][Ring2][=N][C][=C][Ring2][Ring2][P] |
24,047,377 | CC1(C)CC(Nc2ccc3c(c2[N+](=O)[O-])NC2(CCCCC2)[N+]3=O)CC(C)(C)N1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][S][N][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N+1][Ring1][=C][=O][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][N] |
5,921,814 | COCCCNC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 | [C][O][C][C][C][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2] |
141,180,906 | Cc1cc(Cl)c(O[C@@H]2CCN(c3ccccc3)C2)c(Cl)c1 | [C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][O][C@@H1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] |
135,491,306 | CCOC(=O)/C(N=Nc1nccs1)=C(\O)c1cc(F)c(Cl)nc1Cl | [C][C][O][C][=Branch1][C][=O][/C][Branch1][#Branch2][N][=N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][\O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Cl] |
116,990,006 | CNC1CCC(c2nc3cc(Br)ccn3n2)CC1 | [C][N][C][C][C][C][Branch1][P][C][N][=C][C][=C][Branch1][C][Br][C][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][C][Ring1][S] |
102,005,670 | [3H]C1=[C]C(=C(C(=C1[3H])[3H])[3H])[3H].C1=CC=[C]C=C1.C1=CC=[C]C=C1.[Bi] | [3H][C][=CH0][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][3H][3H][3H][3H].[C][=C][C][=CH0][C][=C][Ring1][=Branch1].[C][=C][C][=CH0][C][=C][Ring1][=Branch1].[Bi] |
46,175,551 | C[C@@H](Nc1ncc(F)c(Nc2cn(C)cn2)n1)c1ncc(F)cn1 | [C][C@@H1][Branch2][Ring1][#Branch2][N][C][=N][C][=C][Branch1][C][F][C][Branch1][N][N][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][=N][Ring1][=C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
163,257,955 | CC.COC1CN(C(=O)C2CCC(C)CC2)C1 | [C][C].[C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] |
23,442,728 | COc1ccc(S(=O)[O-])cc1C | [C][O][C][=C][C][=C][Branch1][=Branch1][S][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C] |
121,502,975 | CNCc1nnc(SCc2cc3ccccc3n(C)c2=O)n1C | [C][N][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][N][Ring2][Ring1][Ring1][C] |
43,416,149 | O=C(Cc1cccs1)N1CCN(CCO)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] |
170,080,771 | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)n3)cc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][=Branch1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Branch1][Branch1][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][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring1][S][=N][Ring2][Ring2][N][C][=C][Ring2][Branch1][C][Ring2][Branch1][#Branch2] |
115,188,046 | COC(=O)C(C(=O)N(C)C1CCC1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][C] |
145,436,041 | CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CCC2[C@@H]3C[C@](C)(C(=O)F)CC[C@]3(C)CC[C@]12C | [C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][Ring1][Branch2][=C][C][=C][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C][C@@H1][C][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][F][C][C][C@][Ring1][#Branch2][Branch1][C][C][C][C][C@][Ring2][Ring1][Ring2][Ring1][#C][C] |
154,108,866 | NC(=O)CCN(CCC(N)=O)S(=O)[O-] | [N][C][=Branch1][C][=O][C][C][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][O-1] |
107,370,293 | NC(=O)c1cc(Nc2cc(F)cc(Cl)c2)ccc1N | [N][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][N] |
53,136,846 | CSc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=C][=C][Ring2][Ring1][=Branch2] |
22,441,214 | COC1CC(N(CC(C)C)C(=O)c2ccccc2)CC2(c3cccc(O)c3)CCN(C)CC12 | [C][O][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][N][Branch1][C][C][C][C][Ring2][Ring1][#C][Ring1][=C] |
132,113,819 | Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCNc2ccc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c(Cl)c4)C3(C)C)cc2F)C(C)(C)C)cc1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Branch2][Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][P][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring1][S][Branch1][C][C][C][C][=C][Ring2][Ring1][O][F][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Branch1][#C] |
50,859,392 | COc1ccc(OCC(=O)N/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][C][=C][Ring2][Ring1][N] |
132,609,443 | CCCCCCCCCCCCOc1ccc2cc(C#Cc3ccc(C#Cc4ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)s3)ccc2c1 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Branch2][Branch1][#Branch1][C][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][#C][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][=C][O][C][C][C][C][C][C][C][C][C][C][C][C][=C][Ring2][Ring1][S][S][Ring2][Ring2][#Branch1][C][=C][C][Ring2][Ring2][#C][=C][Ring2][Branch1][Ring1] |
88,325,971 | CCC(C=O)N(C)C(=O)c1ccccc1 | [C][C][C][Branch1][Ring1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
44,786,311 | COc1cc2c(cc1OC)C1=C(C#N)CCC(=N)N1CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][Ring1][C][#N][C][C][C][=Branch1][C][=N][N][Ring1][=Branch2][C][C][Ring1][P] |
90,362,917 | Cc1ccc2ncc(F)c(CCC34CCC(NCc5nc6c(cc5Cl)OCC(=O)N6)(CC3)CO4)c2n1 | [C][C][=C][C][=C][N][=C][C][Branch1][C][F][=C][Branch2][Ring2][N][C][C][C][C][C][C][Branch2][Ring1][#Branch1][N][C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][=Branch1][C][=O][N][Ring1][#Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][Ring2][C][O][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#C][=N][Ring2][Ring2][Ring1] |
120,236,507 | CCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)O | [C][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=Ring1][=N][C][C][=Branch1][C][=O][O] |
139,791,767 | CCCCCCCCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] | [C][C][C][C][C][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1] |
2,603,664 | CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O | [C][C][Branch1][C][C][C][C@H1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][=O] |
145,855,703 | NC=C(S)C(=O)S | [N][C][=C][Branch1][C][S][C][=Branch1][C][=O][S] |
4,356,158 | COCc1[nH][nH]c(=O)c1C=Nc1ccc(OC(F)(F)F)cc1 | [C][O][C][C][NH1][NH1][C][=Branch1][C][=O][C][=Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
68,717,423 | O=P(O)(O)O.O=S(=O)(c1cccnc1)c1ccnc2c(C3=CCNCC3)c[nH]c12 | [O][=P][Branch1][C][O][Branch1][C][O][O].[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][=C][NH1][C][Ring1][#C][=Ring1][O] |
126,744,913 | O=C(O)Nc1nc(CCN2CCC3(CC2)CN(c2ccccc2)C(=O)C2(CC2)O3)cs1 | [O][=C][Branch1][C][O][N][C][=N][C][Branch2][Ring2][#Branch1][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][Ring1][Ring1][O][Ring1][P][=C][S][Ring2][Ring1][O] |
55,727,762 | Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nnnn3C(C)C)n21 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][#C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][N][Ring2][Ring1][=Branch1][Ring1][#C] |
8,245,618 | CC(C)CN1CCO[C@H](CN=CC2C(=O)N(c3ccccn3)C(=O)c3ccccc32)C1 | [C][C][Branch1][C][C][C][N][C][C][O][C@H1][Branch2][Ring2][Ring1][C][N][=C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][Ring2][Ring1][O] |
138,977,384 | O=C(O)/C(SC(F)(F)F)=C(\SC(F)(F)F)c1cccc2ccccc12 | [O][=C][Branch1][C][O][/C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch2][\S][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
163,453,639 | C=C(N=C(N=C(C)c1cccc2c1-c1c(-c3cc(-c4ccncc4)nc(-c4ccncc4)c3)cccc1C21C2=CCCC=C2Sc2ccccc21)c1ccccc1)c1ccccc1 | [C][=C][Branch2][#Branch1][O][N][=C][Branch2][=Branch1][=C][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][O][C][=C][C][C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
1,216,296 | CCN1C(=O)COc2ccc(C(=O)[C@H]3Oc4ccc(Cl)cc4[C@@]3(O)c3cnc4c(c3)COc3ccc(C)cc3-4)cc21 | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][C@H1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][Branch1][C][O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring2][C][Ring2][Ring2][#Branch1] |
114,830,504 | CC(Cc1ccccc1F)NC1CCCCC1C(C)C | [C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C] |
89,034,109 | CCC(=O)C(Cc1cn(C)cn1)NC=O | [C][C][C][=Branch1][C][=O][C][Branch1][N][C][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][N][C][=O] |
23,631,142 | COC(=O)C[C@]1(C(C)=O)O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | [C][O][C][=Branch1][C][=O][C][C@][Branch1][=Branch1][C][Branch1][C][C][=O][O][C@@H1][Branch1][C][C][C@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring2][Ring1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
125,587,708 | S=C(NCc1ccccc1Cl)c1ccc2c(c1)OCO2 | [S][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
115,249,214 | COc1c(C)cc(C)cc1NCC1(CN)COC1 | [C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][C][Branch1][Ring1][C][N][C][O][C][Ring1][=Branch1] |
88,907,127 | O=C(O)C1=C(Cl)CCC2C(NC(=O)[C@H](NC(=S)Nc3ccccc3)c3ccccc3)C(=O)N12 | [O][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=C][Ring2][Ring1][=Branch2] |
4,501,588 | CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 | [C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring2][Ring2] |
66,459,246 | OC(Cc1nc2ccccc2o1)c1cc2c(s1)CCC2 | [O][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] |
139,230,451 | COc1ccc(Cc2c[n+](C)c3ncccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][N+1][Branch1][C][C][=C][N][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P] |
105,558,677 | O=c1cc(-c2cc(Cl)sc2Cl)[nH]c(=S)[nH]1 | [O][=C][C][=C][Branch1][N][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl][NH1][C][=Branch1][C][=S][NH1][Ring1][=C] |
24,554,234 | Cn1cc(C(=O)NNC(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][C][Ring1][N][=S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N] |
25,910,701 | COCCCN(Cc1ccccn1)Cc1ccccc1C(F)(F)F | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
106,988,140 | CC1(C)CCCCC1C(C(=O)O)c1cccc(Cl)c1N | [C][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N] |
106,815,153 | CCOCCC(=O)CCC(=O)O | [C][C][O][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O] |
66,367,112 | OC1CC(Oc2c(Br)cc(Br)cc2Br)C12CCCC2 | [O][C][C][C][Branch1][P][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br][C][Ring1][=C][C][C][C][C][Ring1][Branch1] |
88,857,184 | CCCC(O)c1ccc(C2CCC(OC(=O)c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F | [C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][C][C][Branch2][Ring2][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][Branch1][C][F][=C][Ring2][Ring1][C][F][C][C][Ring2][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring2][Ring1][F] |
115,726,986 | Cc1cnc(C(C)NC(C)c2ccc3c(c2)OCO3)s1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring2][Ring1][Ring1] |
43,081,588 | CC(Nc1ccc(C(F)(F)F)cc1)c1ccccc1Cl | [C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
165,356,622 | COC[C@@H](O)[C@@H](O)C[C@H](O)C(=O)O | [C][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][O] |
169,006,508 | O=C(CN(CCN(CC(=O)NC(Cc1ccccc1)C(=O)[O-])CC(=O)NC(Cc1ccccc1)C(=O)[O-])CC(=O)NC(Cc1ccccc1)C(=O)[O-])NC(Cc1ccccc1)C(=O)[O-].[Na+].[Na+].[Na+].[Na+] | [O][=C][Branch2][=Branch1][P][C][N][Branch2][Branch1][Branch1][C][C][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[Na+1].[Na+1].[Na+1].[Na+1] |
61,926,122 | CCCCN(C)CC(NCC)(C(=O)O)c1ccccc1 | [C][C][C][C][N][Branch1][C][C][C][C][Branch1][Ring2][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
1,084,772 | O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring2][Ring1][C] |
125,433,871 | Cc1c(OCC(=O)Nc2ccccn2)c(=O)ccn1CCC(C)C | [C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Ring2][Ring1][C][C][C][C][Branch1][C][C][C] |
166,559,016 | CC(C)c1c(S(=O)(=O)c2ccc(C(=O)O)cc2)c2c(O)cccc2n1-c1ccc(F)cc1 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
95,204,196 | O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)C(=O)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C@H1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |