CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
| SELFIES
stringlengths 3
9.88k
|
|---|---|---|
111,911,777 | C=C(C)CNC(N)=NCc1csc(CCc2ccccc2)n1.I | [C][=C][Branch1][C][C][C][N][C][Branch1][C][N][=N][C][C][=C][S][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N].[I] |
9,851,319 | CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl | [C][C][C][=C][C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][C][Branch2][Ring2][=N][N][Branch2][Ring1][N][C][C][=C][C][=C][C][Branch1][P][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][Cl] |
7,184,341 | O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Nc1ccccc1F | [O][=C][Branch2][Ring1][=Branch2][C][NH1+1][C][C][C][C@@H1][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
46,852,000 | O=C1c2ccc(S(=O)(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)cc2C(=O)c2cc(S(=O)(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)ccc21 | [O][=C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][O][Ring2][Branch1][=Branch2] |
118,694,828 | CCCc1cc(C(=O)OCC)nn1CC(F)F | [C][C][C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=N][N][Ring1][#Branch2][C][C][Branch1][C][F][F] |
162,278,009 | CC(=O)CCC/C(=C(/c1ccc(C)cc1)c1ccc(O)cc1)C1CCCC1 | [C][C][=Branch1][C][=O][C][C][C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][N][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1] |
57,222,827 | C[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 | [C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] |
9,937,738 | COC(=O)COc1ccc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1C | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=N][S][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][C] |
115,677,718 | CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCCC1 | [C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][Branch1] |
67,934,238 | C1=CCCC=C1.Oc1ccc(O)cc1 | [C][=C][C][C][C][=C][Ring1][=Branch1].[O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
131,854,471 | Br.CC(C)N(N=Cc1c(Cl)cccc1Cl)C(C)C | [Br].[C][C][Branch1][C][C][N][Branch1][#C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][C] |
12,923,666 | O=C(NCCc1ccccc1)N1Cc2ncccc2C1=O | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] |
153,423,890 | CCCCCCCCC(C(=O)[O-])(C(=O)[O-])c1ccccc1.[Ba+2] | [C][C][C][C][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Ba+2] |
116,404,176 | CC(N)C(c1cccc(Cl)c1)N1CCSC(C)(C)C1 | [C][C][Branch1][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] |
2,766,291 | Cc1cc(Nc2ccc(Cl)cc2)nc(N)n1 | [C][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=N][Ring1][#C] |
87,959,584 | C=c1c(C(C)(C)C)cc2c(c1C1=CC=CC1)[C-]=c1ccc(C(C)(C)C)cc1=2.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Cl-].[Cl-].[Zr+2] | [C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][C][=Branch1][O][=C][Ring1][#Branch2][C][=C][C][=C][C][Ring1][Branch1][C-1][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Ring1][#Branch2][=Ring2][Ring1][Ring1].[C][C][=C][C][=C-1][C][=C][Ring1][=Branch1].[C][C][=C][C][=C-1][C][=C][Ring1][=Branch1].[Cl-1].[Cl-1].[Zr+2] |
168,835,193 | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)C3CCC(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)CC3)cc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Branch1][S][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][C][C][Branch2][Ring1][=C][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][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][N][Ring2][Branch1][Ring2] |
72,021,701 | CC(NC(=O)NCCC(=O)N1CCCCCC1)c1nccs1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][C][=C][S][Ring1][Branch1] |
31,762,202 | COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring2][Ring1][Ring1] |
95,064,567 | CC[C@@H](C(=O)NCc1cccc(F)c1)n1c2ccccc2c2cnn(C)c(=O)c21 | [C][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring1][#C] |
9,437,080 | C[C@H]1OC2=C(CC1(C)C)C1=CCCC(=O)[C@@H]1CC2 | [C][C@H1][O][C][=C][Branch1][=Branch2][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][C][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][Ring1][#C] |
70,153,228 | Oc1ccc(OC(F)(F)F)cc1[C@H]1CO[C@]2(CC[C@H]3CC[C@]2(c2ccccc2)N3Cc2ccccc2)C1 | [O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@H1][C][O][C@][Branch2][Ring1][#C][C][C][C@H1][C][C][C@][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
58,966,707 | Cc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][NH1][Ring1][=C][=C][Ring2][Ring2][=Branch1] |
10,564 | O=C([O-])[O-].[Cd+2] | [O][=C][Branch1][C][O-1][O-1].[Cd+2] |
108,651,655 | COc1ccc(OC)c(/C(O)=C2\C(=O)C(=O)N(Cc3ccncc3)C2c2ccccc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=Branch1][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
3,134,055 | O=C(NCc1ccccc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)cc1)N2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C] |
132,220,143 | O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(C2CC2)cn1 | [O][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][P][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][Branch2] |
58,894,770 | Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5s4)cc3)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][S][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring2][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1] |
82,176,799 | COCC(=O)Nc1nnc(-c2ccccc2N)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][N] |
141,289,070 | O=C1[C@H]2C[C@@H](c3cccn3C(=O)n3cccc3[C@H]3CC[C@H]4C(=O)[C@H]4C3)CC[C@@H]12 | [O][=C][C@H1][C][C@@H1][Branch2][Ring1][P][C][=C][C][=C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][Branch1][C@H1][C][C][C@H1][C][=Branch1][C][=O][C@H1][Ring1][Ring2][C][Ring1][Branch2][C][C][C@@H1][Ring2][Ring1][O][Ring2][Ring1][#Branch2] |
132,056,817 | CCCOc1c(C)c2c(c(C)c1OCC)OC(C(C)CC(=O)c1c(C)c(C)c(OC)c(OC)c1C)=C(C)C2C | [C][C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][O][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Branch2][Ring1][P][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Branch1][C][C][C][Ring2][Ring1][#C][C] |
39,738,540 | Cc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C)cc(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][=C][S][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N] |
171,483,650 | CCOC(/C=C/C(C)C(O)c1ccc(C)cc1)OCC | [C][C][O][C][Branch2][Ring1][=Branch1][/C][=C][/C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C] |
67,718,485 | Fc1ccc(C(COCCn2ccnc2)c2ccc(F)cc2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][N][C][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
55,355,889 | CCCC(=O)Nc1ccc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][O][C][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
20,920,824 | COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Nc2ccccc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][N][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=C] |
19,683,317 | COc1ccc(OC)c(S(=O)(=O)Nc2ccon2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][=C][Ring1][P] |
141,172,825 | COc1ccc2c(c1F)SN([C@@H]1CN3CCC1CC3)C2 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][S][N][Branch1][=N][C@@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Ring1][#C] |
29,858,989 | Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cnc2ccccc2n1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
7,461,734 | C=CCN1C(=O)NC(=O)C(C(C)=NCCCN(C)C)C1=O | [C][=C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][=C][C][Branch1][C][C][=N][C][C][C][N][Branch1][C][C][C][C][Ring1][P][=O] |
154,463,894 | CC(=O)NC(C(=O)[O-])(c1ccccc1)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
43,581,536 | CC(CN1CCS(=O)(=O)CC1)/C(N)=N/O | [C][C][Branch1][S][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][/C][Branch1][C][N][=N][/O] |
160,294,075 | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1ccccc12.Cc1ccc2c(cnc3ccccc32)c1.Cc1ccc2ccc3cccnc3c2n1.Cc1ccc2cnc3ccccc3c2c1.Cc1ccc2ncc3ccccc3c2c1.Cc1cccc2c1cnc1ccccc12.Cc1cccc2c1ncc1ccccc12.Cc1cnc2c(ccc3cccnc32)c1.Cc1nc2ccccc2c2ccccc12 | [C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O].[C][C][=C][C][=C][C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][=C].[C][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C].[C][C][=C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][=C].[C][C][=C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][=C].[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2].[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2].[C][C][=C][N][=C][C][Branch1][=N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][=C].[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
83,068,625 | NC1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1 | [N][C][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P] |
98,254,702 | CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3O[C@@H](C)C(=O)c3ccccc3)C(=O)[C@H]12 | [C][C][=C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
97,103,211 | CCC/C=C\c1cccc(C=O)n1 | [C][C][C][/C][=C][\C][=C][C][=C][C][Branch1][Ring1][C][=O][=N][Ring1][Branch2] |
140,556,364 | CCOCCOCCOCCOC(=O)c1ccc2c(c1)CCC1C2=NN(c2ccc(C#N)c(Cl)c2)C1C1CCCC1 | [C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring1][=C][C][C][C][C][C][Ring1][Branch1] |
132,617,583 | CC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] |
98,292,405 | CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
119,120,289 | CSc1ccc(CN=C(N)NC2CCCC2)cc1 | [C][S][C][=C][C][=C][Branch1][#C][C][N][=C][Branch1][C][N][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S] |
108,848,853 | COc1ccc(C(C)N/C=C(/C#N)C(=O)NC(C)c2ccc3c(c2)CCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][C][C][N][/C][=C][Branch1][Ring1][/C][#N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][N][O][C] |
66,157,113 | COCc1cc(C(=O)N2CCCc3cc(N)ccc32)no1 | [C][O][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][O][=N][O][Ring2][Ring1][C] |
25,183,061 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)ncn1 | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][Ring1] |
135,944,619 | Cc1nc2c(c(=O)[nH]1)CN(Cc1c(C)n[nH]c1C)CC2 | [C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][C][Ring1][P] |
69,009,824 | Cc1cc2c(nc1C(N)=O)C(C)(NC(=O)C1CCC(N3CCOCC3=O)CC1)C(C(N)=O)O2 | [C][C][=C][C][=C][Branch1][#Branch2][N][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][C][Ring1][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][O][Ring2][Ring1][=C] |
159,357,562 | CC[C@H](O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)CC1.Cc1ccc2c(N3CCNCC3)nc(-c3ccccc3O)nc2c1 | [C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2].[C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
163,303,416 | Cc1ccc(S(=O)(=O)n2c(C)cc3cc(C)cnc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
19,366,367 | O=C(O)C1NCCCC1=O | [O][=C][Branch1][C][O][C][N][C][C][C][C][Ring1][=Branch1][=O] |
113,274,229 | COc1ccc(C(=O)NC2CCC(Br)CC2)c(O)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][Br][C][C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][P] |
28,217,478 | CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Ring1][#Branch2][C@@H1][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
133,649,774 | COc1ccc(-c2cnc(N3CCOCC3)c3c(C)cccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][P][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
159,528,458 | NC1(COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)CCC1.O=CO | [N][C][Branch2][Ring1][S][C][O][C][C][=C][C][=N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Ring1][=C][N][=Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2].[O][=C][O] |
64,367,979 | Fc1ccc(CNc2nccn3cnnc23)cc1F | [F][C][=C][C][=C][Branch1][S][C][N][C][=N][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring1][P][F] |
143,893,429 | C#CC1CC(OC(=O)C2(c3ccccc3)CCCCCC2)C1CC[NH3+].CC(=O)Nc1ccccn1.CCl | [C][#C][C][C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=N][C][Ring2][Ring1][Ring2][C][C][NH3+1].[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1].[C][Cl] |
109,365,878 | Cc1nc(C(=O)NCC2CCCO2)cc(N2CCN(C(=O)c3ccco3)CC2)n1 | [C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][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][Ring2][Ring1][N] |
66,537,755 | COc1cc(CNCC2CCNCC2)c(Cl)cc1OCC(=O)NC(C)(C)C | [C][O][C][=C][C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][S][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
66,247,412 | CCN(C(=O)c1cc(Cl)ccc1Cl)C1COCC1C(=O)O | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][O][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
172,216,350 | C[C@@H]1CN(c2ncnc3c2c(-c2ccccn2)cn3S(=O)(=O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C | [C][C@@H1][C][N][Branch2][Ring2][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][N][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
140,111,877 | CO[Si](CCCOCC1CO1)(c1ccccc1)c1ccccc1 | [C][O][Si][Branch1][O][C][C][C][O][C][C][C][O][Ring1][Ring1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
167,957,139 | COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)c(C(F)(F)F)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1] |
129,448,694 | CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2nc(C)cn2C1 | [C][C][O][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][C][=N][C][Branch1][C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2] |
118,803,762 | NS(=O)(=O)c1cccc(OC(F)(F)F)n1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O] |
166,873,577 | CCOC(=O)c1[nH]c2c(F)cccc2c1-c1ccc(C#N)cc1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
45,531,128 | CCCc1sc(NC(=O)c2c(C)cnn2C)nc1-c1ccc(-c2ccccc2)cc1 | [C][C][C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][N][Ring1][=Branch1][C][=N][C][=Ring1][#C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
63,956,446 | CCN(CC1CC1)c1ccc(CNC(C)C)cc1C | [C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][C][C][=C][Ring1][O][C] |
46,666,524 | CC(OC(=O)c1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 | [C][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
80,706,290 | CC(NC1CCC(C)(C)C1)c1ccc2c(c1)OCO2 | [C][C][Branch1][#C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
69,202,400 | COc1cc2nccc(Oc3ccc4cc(N5C(C)=CSC5C)ccc4c3)c2cc1OC | [C][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][=N][O][C][=C][C][=C][C][=C][Branch1][N][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][C][C][=C][C][Ring1][=N][=C][Ring1][P][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C] |
85,748,687 | N#Cc1ccc(ON2C(=O)c3ccccc3C2(c2ccccc2)c2ccccc2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
17,822,031 | O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O] |
1,958,320 | CCCc1nnc2c(N(C)S(=O)(=O)c3ccc(C)cc3)nc3ccccc3n12 | [C][C][C][C][=N][N][=C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
153,071,396 | Cc1cnc(Cc2ccc(N3CCOCC3)cc2)nc1Sc1ccc2c(c1)CCCN2C#N | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][=C][Ring2][Ring1][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][#N] |
4,694,429 | CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
82,858,753 | COc1cc(Br)cc(-n2cnnc2Cl)c1 | [C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch2][N][C][=N][N][=C][Ring1][Branch1][Cl][=C][Ring1][=N] |
103,047,902 | CCC(N)(Cc1cc(Cl)ccc1F)c1ccccc1F | [C][C][C][Branch1][C][N][Branch1][=C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
69,286,842 | Cl[Si]C(C1CCCC1)C1CCCC1 | [Cl][Si][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
168,634,174 | COC(=O)C1=C(C(=O)OC)N(c2cccc(-c3nc(-c4ccccn4)cs3)c2)COC1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][O][C][Ring2][Ring1][O] |
161,648,987 | CC.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCCCCCCCCCCCn3cc(CCCCOP(=O)(O)OCCCOCC(COCCCOP(=O)(O)OCCCCc4cn(CCCCCCCCCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]5O[C@@H](n6cc(C)c(=O)[nH]c6=O)C[C@H]5O)nn4)(COP(=O)(O)O)OCCCOP(=O)(O)OCCCCc4cn(CCCCCCCCCCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]5O[C@@H](n6cc(C)c(=O)[nH]c6=O)C[C@H]5O)nn4)nn3)O2)c(=O)[nH]c1=O | [C][C].[C][C][=C][N][Branch3][Ring1][#Branch1][S][C@H1][C][C@@H1][Branch1][C][O][C@@H1][Branch3][Ring1][=Branch1][P][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][Branch3][Ring1][C][Branch2][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][O][C][C][Branch2][=Branch2][Ring2][C][O][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][C][=C][N][Branch2][#Branch1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@H1][Ring1][=C][O][N][=N][Ring2][Branch1][=Branch2][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][O][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][C][=C][N][Branch2][#Branch1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@H1][Ring1][=C][O][N][=N][Ring2][Branch1][=Branch2][N][=N][Ring2][N][#Branch1][O][Ring2][#C][C][C][=Branch1][C][=O][NH1][C][Ring2][#C][=Branch2][=O] |
141,368,894 | FC(F)(F)c1nc(-c2nc3ccc(-n4cncn4)cc3[nH]2)c(N2CCNCC2)s1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][NH1][Ring1][=C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2] |
153,417,257 | CCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c(CC)c1C1C(C)=C[C@H](C)C[C@@H]1C | [C][C][C][=N][N][Branch2][Branch1][C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][C][Branch1][Ring1][C][C][=C][Ring2][Ring2][Ring1][C][C][Branch1][C][C][=C][C@H1][Branch1][C][C][C][C@@H1][Ring1][Branch2][C] |
156,567,557 | c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3ccccc23)c1 | [C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Branch2][Branch1][=Branch2][N][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring2][P] |
120,902,768 | CCc1ccc(C(=O)N2CCN(CC3(C)CCNC3)CC2)cc1.Cl | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][Branch1][C][C][C][C][N][C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1].[Cl] |
64,815,778 | CCC(NC(=O)NC1CCCC1C(=O)O)C1CCCCC1 | [C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1] |
81,229,584 | CC(C)(C(=O)O)S(=O)(=O)CC(=O)NC(N)=O | [C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O] |
160,237,646 | CCOc1ccccc1C(=O)NCCCCCCCC(=O)O.CN(C)c1ccccc1C(=O)Nc1ccc(CCCC(=O)O)cc1.Cc1ccc(O)c(NC(=O)CCCCC(=O)O)c1.O=C(Nc1ccc(CCc2nn[nH]n2)cc1)c1ccccc1O.O=C(O)CCCCCCCNC(=O)CCCc1ccc(NC(=O)c2ccccc2O)cc1.O=C(O)CCCCCCCNC(=O)CCOc1ccccc1.O=C(O)CCCCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.O=C(O)CCCc1ccc(NC(=O)CCCc2ccc(NC(=O)/C=C/c3ccccc3F)cc2)cc1.O=C(O)CCc1cccc(NC(=O)c2ccccc2O)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O].[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N].[C][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][P].[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O].[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S].[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F].[O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C].[O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][S] |
66,641,061 | CCOC(=O)C1=CN(C(=O)Nc2cccc(Cl)c2)CCc2c1[nH]c1ccccc21 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
8,858,081 | O=C([O-])COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 | [O][=C][Branch1][C][O-1][C][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P] |
126,796,728 | CC(C)c1cnc(CN2CC(O)(c3ccccc3)C2)s1 | [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][S][Ring1][P] |
86,222,417 | O=C1c2ccccc2C(=O)C1C(=O)C(F)(F)F | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
8,435,396 | CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 | [C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][C][NH1+1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |