CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
| SELFIES
stringlengths 3
9.88k
|
|---|---|---|
57,652,782 | COc1ccc(C(=O)N[C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring1][=N][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] |
144,982,031 | CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCC(=O)Nc1ccc(C(O)C(=O)N2CCN(C)CC2)cc1 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] |
164,578,090 | Cc1cccc2c1=C1OC(=O)C(C(F)(F)F)C(c3ccccc3)=C1N=2 | [C][C][=C][C][=C][C][C][Ring1][=Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][N][=Ring2][Ring1][Ring2] |
132,330,477 | CNC(=O)C1Cn2c(C)nnc2CN1C(=O)c1ccc(C)c(C)n1 | [C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2] |
143,309,208 | C=C(NC(=C)c1cnccc1C)Nc1cccc(Cc2ccccc2)c1 | [C][=C][Branch1][#C][N][C][=Branch1][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
3,301,663 | CC(C)(C)B1OC(C)(C)C(C)(C)O1 | [C][C][Branch1][C][C][Branch1][C][C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
171,455,214 | Sc1cc2nc(-c3ccccc3)sc2cc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccc5ccccc5c4)c3)cc2)cc1 | [S][C][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=C][Ring1][#C][C][=C][C][=C][Branch2][Branch1][O][C][=C][C][=C][Branch2][Ring2][#C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][=Branch2] |
98,120,310 | CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Branch2][Ring1][Branch1][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=O][N][Ring2][Ring2][Branch1] |
105,528,311 | CNCc1c(C)nn(C2CN(C(=O)OC(C)(C)C)C2)c1C | [C][N][C][C][C][Branch1][C][C][=N][N][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][C][=Ring1][P][C] |
1,607,712 | CC(C)[NH+](C)CCOC(=O)[C@@H]1COc2ccccc2O1 | [C][C][Branch1][C][C][NH1+1][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C@@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
21,365,848 | CN(C)C(=O)C1CCCN1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C] |
70,923,312 | CN(Cc1nccc2c3ccccc3n(CCCCNC3=NCCN3)c12)C1CCCc2cccnc21 | [C][N][Branch2][Ring2][Branch1][C][C][=N][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][C][C][N][C][=N][C][C][N][Ring1][Branch1][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2] |
133,095,981 | N#Cc1ncc(N)c(C=O)c1OC(F)(F)F | [N][#C][C][=N][C][=C][Branch1][C][N][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][O][C][Branch1][C][F][Branch1][C][F][F] |
117,404,461 | COc1c(F)cc(C(C)(F)F)cc1CC1(O)CC1 | [C][O][C][=C][Branch1][C][F][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][C][=C][Ring1][O][C][C][Branch1][C][O][C][C][Ring1][Ring2] |
7,163,478 | C[C@H](Sc1ncnc2c1nnn2-c1cccc(Cl)c1)c1ccccc1 | [C][C@H1][Branch2][Ring1][#Branch2][S][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
70,788,629 | COc1ccc(C)cc1NC(=O)Cn1ccnc1C1CCOC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][O][C][Ring1][Branch1] |
70,700,671 | Fc1cccc(N=Cc2cc(F)c(F)c(F)c2)c1 | [F][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=C][Ring1][P] |
30,864,633 | Cn1c([C@@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)N2CCCc3ccccc32)c1=O | [C][N][C][Branch2][Ring1][Ring1][C@@H1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][=N][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring2][Ring1][N][=O] |
160,882,319 | CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C3CC3)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cccnc4Cl)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cccnc4Cl)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccc(C)n4)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4Cl)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC3CCOCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCS(C)(=O)=O)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OC3CCOCC3)ccc12 | [C][C][Branch1][C][C][N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][#C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][Ring2][Ring1][S].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][=N].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][=N][O][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][O][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N].[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][O][O][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N].[C][C][N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][Ring1][=N][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][#C].[C][C][N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][Ring1][=N][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][N][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=N][Ring2][Ring1][#C].[N][#C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][Ring1][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][S][Ring1][=N] |
140,849,313 | Cc1ccc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c3[Sb]3c5c(cccc5Oc5c(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc2c53)O4)cc1 | [C][C][=C][C][=C][Branch2][#Branch2][#Branch1][N][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C][Sb][C][=C][Branch2][=Branch1][Branch1][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][C][=C][C][Ring2][=Branch1][=Branch1][=C][Ring2][Ring1][#C][Ring2][Ring2][#Branch1][O][Ring2][Ring2][#Branch2][C][=C][Ring2][=Branch1][=C] |
118,805,402 | O=C(Cl)c1cc(Cl)c(OC(F)(F)F)c(I)n1 | [O][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][I][=N][Ring1][=N] |
80,109,886 | COC(=O)CNC(=O)NCC(CC(C)C)C(=O)O | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
126,078,480 | O=C1N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 | [O][=C][N][/C][=Branch2][Ring1][#C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
68,038,048 | CC(C)[C@@H]1CC(=O)N[C@@H]1C | [C][C][Branch1][C][C][C@@H1][C][C][=Branch1][C][=O][N][C@@H1][Ring1][=Branch1][C] |
860,871 | CCN(CC)C(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C] |
133,633,229 | CC[C@@H](C)C(=O)c1ccc(O)cc1O | [C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
103,708,069 | CC(C)(CCO)CNCc1cn2cc(Cl)ccc2n1 | [C][C][Branch1][C][C][Branch1][Ring2][C][C][O][C][N][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2] |
88,062,079 | Cc1cc(C)c(C)c(C(=O)O)c1.[Ga] | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O].[Ga] |
113,597,988 | CC1CN(C(=O)C(N)CC(N)=O)CC(C)N1C | [C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][N][=O][C][C][Branch1][C][C][N][Ring1][#C][C] |
24,585,147 | COc1ccccc1-c1cc(CN2C(=O)NC(C)(c3ccco3)C2=O)on1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N][=O][O][N][=Ring2][Ring1][Ring1] |
1,382,551 | O=c1cc(CO)oc([C@H](Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1O | [O][=C][C][=C][Branch1][Ring1][C][O][O][C][Branch2][Ring1][N][C@H1][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2][O] |
71,410,978 | NC(=S)C=C(N)c1ccccc1 | [N][C][=Branch1][C][=S][C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
111,134,229 | CCNC(=NCC1CCN(Cc2cccs2)CC1)NCCc1ccccc1 | [C][C][N][C][=Branch2][Ring1][Branch1][=N][C][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
120,961,872 | Cl.OC1CNCC1CNCc1cc(Cl)ccc1OCc1cccnc1 | [Cl].[O][C][C][N][C][C][Ring1][Branch1][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
64,712,614 | OC(c1cccc(Cl)c1F)c1cccc(Cl)c1Cl | [O][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
113,874,118 | COc1ccc(Br)cc1NC(C)c1ccnn1C | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][C][=C][C][=N][N][Ring1][Branch1][C] |
121,118,564 | CCSc1nnc(NC(=O)C2CCCN(c3ccc(C)nn3)C2)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch1] |
64,198,546 | COc1cccc(C(CNc2ccncc2C)N(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][N][C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] |
89,916,483 | CC(=O)SCCC(F)C(F)(F)C(F)C(C)F | [C][C][=Branch1][C][=O][S][C][C][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][C][Branch1][C][C][F] |
100,301,049 | CCOc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N] |
116,678,839 | CSCC(C)N(C)C(=O)C(C)=C1CNC1 | [C][S][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][N][C][Ring1][Ring2] |
135,745,991 | CC(C)CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1 | [C][C][Branch1][C][C][C][S][C][=N][NH1][C][Branch1][P][N][/N][=C][/C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][P] |
69,276,280 | O=C(O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)N(Cc1ccc(F)cc1)c1ccccc1F | [O][=C][Branch2][Ring1][=N][O][C@H1][C][N+1][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][#C][C][C][Ring1][#C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
6,667,512 | C[C@]12CC[C@H]3[C@]4(C=C[C@@]5(C=C4C(=O)c4cc6ccccc6s4)CC(O)CC[C@]35C)[C@@H]1CC[C@@]2(O)CN(C[C@H](O)CO)C[C@H]1CCCO1 | [C][C@][C][C][C@H1][C@][Branch2][Ring2][O][C][=C][C@@][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Branch1][C][O][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][C][C@@H1][Ring2][Ring1][=N][C][C][C@@][Ring2][Ring1][S][Branch1][C][O][C][N][Branch1][Branch2][C][C@H1][Branch1][C][O][C][O][C][C@H1][C][C][C][O][Ring1][Branch1] |
148,021,880 | CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4c(c3)C(C(=O)NC3CC3)=NC4)CC1)C2 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][C][Ring1][N][C][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=C] |
9,853,045 | NCc1ccc(CNC(=O)N2CCN(OC(=O)C3CCCC(C(=O)ON4CCN(C(=O)NCc5ccc(CN)cc5)CC4)CCC3)CC2)cc1 | [N][C][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][#Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][S] |
55,809,812 | O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)C2CC3CCC2C3)CC1 | [O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring1][#C] |
124,133,692 | CCC(COC(F)(F)F)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](C)NC3=O)ccc2c1=O | [C][C][C][Branch1][O][C][O][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][=N][C][Branch1][N][N][C][C@@H1][Branch1][C][C][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=N][C][Ring2][Ring1][#Branch2][=O] |
104,685,994 | CC(CCCN)C(=O)OC(C)(C)C | [C][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
63,435,050 | COc1ccc(C(Cl)c2ccc(Cl)cc2)c(Br)c1 | [C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Br][=C][Ring1][S] |
112,657,333 | CSCCN(C)C(c1ccc(Br)s1)C(C)N | [C][S][C][C][N][Branch1][C][C][C][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][Branch1][C][C][N] |
112,069,104 | CCNC(=NCc1cccc(OC)c1OC1CCCC1)NCc1ncc(CC)s1 | [C][C][N][C][=Branch2][Ring1][#Branch1][=N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][C][C][Ring1][Branch1][N][C][C][=N][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1] |
45,901,843 | O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)N2CCCC2)CC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] |
153,847,810 | CC(=O)n1c(C)c(Br)c(=O)n(C(C)CC(C)C)c1=O | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring1][#C][=O] |
140,982,299 | O=CNc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 | [O][=C][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
141,382,157 | CCC(F)(CC)CN1CCC(COC(C)OC(=O)c2ccc(-c3ccccc3)cc2F)CC1 | [C][C][C][Branch1][C][F][Branch1][Ring1][C][C][C][N][C][C][C][Branch2][Ring1][#C][C][O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][F][C][C][Ring2][Ring1][#Branch2] |
114,462,474 | CCC(N)C(c1cccc(Br)c1)N1CC=C(C)CC1 | [C][C][C][Branch1][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1] |
109,468,615 | CCNC(=O)c1cccc(CNC(=NC)NCC2(CC)CCC2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][Ring1][=N][C][N][C][C][Branch1][Ring1][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
131,211,540 | O=[N+]([O-])c1cc(Cl)ncc1I | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][I] |
101,231,267 | CCCCC(=O)O[C@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | [C][C][C][C][C][=Branch1][C][=O][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
79,401,817 | CCn1ccnc1NCCCC(=O)NC1CC1 | [C][C][N][C][=C][N][=C][Ring1][Branch1][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] |
143,482,590 | CC.Cc1cnc2ccc(C(C)C)cc2n1 | [C][C].[C][C][=C][N][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Ring1][=Branch2][=N][Ring1][=N] |
23,872,507 | CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H]([Si](C)(C)F)[C@@H]2C)c2cc(N3C(=O)COc4ccccc43)ccc21 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][N][C][=Branch1][C][=O][C@][Branch2][Ring2][Ring1][O][C@H1][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][O][C@@H1][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][F][C@@H1][Ring2][Ring1][Ring1][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][=C][Ring1][P][Ring2][Ring2][Branch2] |
90,616,589 | COC1CCN(C2CCN(S(=O)(=O)CC(C)C)CC2)CC1 | [C][O][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring1] |
138,486,006 | C[C@@H]1CC2CC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC1N2c1nc2c(F)cc(C(=O)NCC(=O)O)cc2s1 | [C][C@@H1][C][C][C][C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][N][N][Ring2][Ring1][O][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][S][Ring1][P] |
168,964,798 | CSN1CCC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C(F)F)n2)CC1 | [C][S][N][C][C][C][Branch2][Ring2][Ring2][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][N][=Ring1][Branch2][C][C][Ring2][Ring1][O] |
171,590,890 | C#Cc1ccc2cc(O)ccc2c1C(C)(C)C | [C][#C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C] |
104,024,734 | ClCc1ccc(N2CCCOc3ccccc32)nc1 | [Cl][C][C][=C][C][=C][Branch1][S][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][=C][Ring1][P] |
103,936,316 | CCOC1CC(Nc2ccc3ncsc3c2)C1(C)C | [C][C][O][C][C][C][Branch1][#C][N][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][=C][Branch1][C][C][C] |
60,393,083 | Cc1cc(NC(=O)CSCc2nc(-c3cccs3)oc2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][C][=Ring1][#Branch2][C][=N][O][Ring2][Ring1][=Branch1] |
114,614,457 | Cc1cccnc1CNS(=O)(=O)c1ccc(C(N)=S)nc1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=S][N][=C][Ring1][=Branch2] |
10,540,202 | CNC(=O)c1ccccc1S(=O)c1ccccc1C | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
71,038,996 | Cc1c(C(=O)NC(c2ccccc2)C2(C)CCC(C)CN2)cccc1C(F)(F)F | [C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][C][C][N][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
86,822,627 | Cc1nc(C2(NC(=O)c3cc(-c4ccco4)[nH]n3)CCCC2)no1 | [C][C][=N][C][Branch2][Ring1][P][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring1][#Branch2][C][C][C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch1] |
161,061,003 | CCCCCCCCC(CCC)(CCC)C(=O)O.[Nd] | [C][C][C][C][C][C][C][C][C][Branch1][Ring2][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O].[Nd] |
61,467,635 | CCC1CSC(NC(C)C(=O)NC)=N1 | [C][C][C][C][S][C][Branch1][N][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][Ring1][N] |
10,153,647 | Cc1cn(CCCN(Cc2ccccc2)C(=O)[C@H]2CN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)OC(C)(C)C)cn1 | [C][C][=C][N][Branch2][=Branch1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][P][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring2][Ring2][S] |
9,743,612 | COC(=O)c1ccc(/C=N/OCCCCN2C(=O)c3ccccc3C2=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=N][/O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch2] |
79,396,789 | CC1C(N)CCN(c2ccccc2Br)C1C | [C][C][C][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][=C][C] |
123,887,265 | COC(=O)C(CC(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2C1=O | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=N][=O] |
23,902,071 | C[C@H](/C=C/CC(=O)N1Cc2ccccc2C[C@H]1CO)[C@@]1(O)C(=O)N(Cc2cccc(N3C(=O)COc4ccccc43)c2)c2ccc(N3C(=O)COc4ccccc43)cc21 | [C][C@H1][Branch2][Ring1][Branch2][/C][=C][/C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][O][C@@][Branch1][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring1][P][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring1][P][Ring2][Ring2][Branch2] |
102,374,894 | CCO[C@@H]1C[C@]2(C(=O)OC)C(C(=O)OC)=C[C@@]1(c1ccccc1)C21OCC(C)(C)CO1 | [C][C][O][C@@H1][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C@@][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2] |
104,948,264 | CCC1(C)CC2(CCO1)C[C@@H](O)c1cc(F)ccc1O2 | [C][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#C] |
108,902,042 | COc1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
107,255,114 | CC(C)(C)OC(=O)N1CCc2cccc(NC3COC3)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=C][Ring1][O][C][Ring1][#C] |
55,655,752 | CS(=O)(=O)N1CCCC1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] |
60,646,172 | C#CCNC(=O)COCC | [C][#C][C][N][C][=Branch1][C][=O][C][O][C][C] |
59,819,544 | CCCCN(C)C(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2C=CC3=CC(=O)CC[C@@]3(C)[C@@H]21 | [C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][C@][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C@H1][Ring1][=Branch2][C@@H1][C][=C][C][=C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C@@H1][Ring1][N][Ring2][Ring1][#Branch1] |
44,541,207 | O=c1ccn(O)c(=O)n1Cc1ccccc1 | [O][=C][C][=C][N][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
154,334,956 | CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N(C(=O)[C@H](N)CC1CCCCC1)[C@@H](Cc1ccccc1)C([O-])=NCCc1c[nH]c2ccccc12 | [C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O-1][=N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
114,074,113 | Cc1ccc(CN(C)c2nc(N)c(F)cc2F)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][O][Ring1][P] |
138,548,943 | Fc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4ccccc45)cc32)cc1 | [F][C][=C][C][=C][Branch2][=Branch1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Branch1][Branch1][N][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][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][=C][C][=C][Ring2][Branch1][Ring2] |
84,755,233 | NCC(=O)N1CCCC(SCc2ccccc2F)C1 | [N][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][#C] |
306,922 | Cc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)ccc1O | [C][C][=C][C][Branch2][Ring1][=C][C][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring2][Ring1][O][O] |
57,429,311 | COC1=CC2=C(C=C1)C=[C]C=C2 | [C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=CH0][C][=C][Ring1][Branch2] |
82,715,939 | COCCONS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F | [C][O][C][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][F][C][=C][Ring1][#Branch2][F] |
140,740,744 | [3H]c1csc(OCc2[nH]cnc2-n2nnn(C)c2=O)n1 | [3H][C][=C][S][C][Branch2][Ring1][Branch1][O][C][C][NH1][C][=N][C][=Ring1][Branch1][N][N][=N][N][Branch1][C][C][C][Ring1][=Branch1][=O][=N][Ring2][Ring1][Ring1] |
111,517,775 | CCNC(=NCc1ncc(C)s1)N1CCN(Cc2ccc(OC)c(F)c2)CC1 | [C][C][N][C][=Branch1][=N][=N][C][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][N][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][Ring1][S] |
152,754,598 | O=C(O)CSc1ccc(C(=O)[O-])cc1 | [O][=C][Branch1][C][O][C][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
169,433,224 | N[13c]1[13cH][13c](=O)[nH]c(=O)[nH]1 | [N][13C][=13CH1][13C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2] |