CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
| SELFIES
stringlengths 3
9.88k
|
|---|---|---|
30,854,245 | CC(C)SCC(=O)Nc1ccccc1N1CCCC1 | [C][C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] |
95,716,964 | COC(=O)c1ccc(CN2CCC[C@]3(CC2)CN(C)C(=O)O3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][C@][Branch1][Branch1][C][C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] |
68,284,673 | CCc1cc(C)cc(CC)c1-c1c(O)c(CO)nn(C)c1=O | [C][C][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=N][N][Branch1][C][C][C][Ring1][#Branch2][=O] |
123,811,110 | CC=Cc1cncc2nn(C)cc12 | [C][C][=C][C][=C][N][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
167,918,227 | CC(C)n1nnnc1CNc1cccc2c(=O)n(C)ccc12 | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Ring1][N][=Ring1][Branch2] |
60,791,017 | CC(C)NC1(C(=O)O)CCN(CCc2ccccc2)CC1 | [C][C][Branch1][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] |
67,335,966 | O=C(O)Cn1c(=O)n(C2CCNCC2)c2ncc(F)cc21 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][P] |
81,135,027 | CCCOc1nc(NC)nc(NCC2(O)CCOCC2)n1 | [C][C][C][O][C][=N][C][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][=N][Ring1][P] |
144,415,719 | CCNC(=O)Nc1nc2c(C3(CC(CO)CC4CC4)CC3)c(F)c(-c3cnc(C(C)(C)O)nc3)cc2[nH]1 | [C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=N][C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][Branch1][C][F][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][N][NH1][Ring2][Ring1][#C] |
87,084,899 | CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2cccc(C(=O)NCCS(=O)(=O)O)c21 | [C][C][Branch1][C][C][C][Branch2][Ring2][N][/C][=C][/C][=C][/N][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][Branch1][C][C][C][=N+1][Branch1][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][#C][Ring2][Branch1][Ring2] |
56,953,092 | C=CC(C)(C)c1ccc2c3c(c[nH]c13)C[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H]([C@H](C)CC)N2C | [C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][C][=Branch1][Branch2][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@@H1][Branch2][Ring1][=Branch1][C][O][C@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][Ring2][Ring1][=C][C] |
23,337,683 | O=C(c1ccccc1)c1ccc(O)cc1O.[Pb] | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O].[Pb] |
88,737,269 | CCCCCCCN1CCSC1=S | [C][C][C][C][C][C][C][N][C][C][S][C][Ring1][Branch1][=S] |
55,231,992 | OC1CNCC1Oc1ccc(-c2ccccc2)cc1 | [O][C][C][N][C][C][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
153,814,302 | CCCS(=O)(=O)Nc1ccc(CCOCCCCCCNCc2ccccc2)cc1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][O][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
142,446,291 | Cc1cccc2c3c([nH]c12)C(CC(C)C)N(C(=O)C1CCC(CN(C)C(=O)OCC(C)(C)C)CC1)CC3 | [C][C][=C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][P][C][C][Ring2][Ring1][#C] |
91,275,390 | C=C(C)CN(C)Cc1nc2c(O)c(Cl)cc(Cl)c2c(=O)n1CC1CC1 | [C][=C][Branch1][C][C][C][N][Branch1][C][C][C][C][=N][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][C][Ring1][Ring1] |
130,420,309 | N[C@H]1CCCNC(=O)C1O | [N][C@H1][C][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][O] |
139,677,626 | CC(C)C=C(C#N)[Si](C)(C)C | [C][C][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][Si][Branch1][C][C][Branch1][C][C][C] |
139,218,233 | CCOC(=O)CN1C(=O)C2(OC(C#N)=C(C#N)C3CCCCC32)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][O][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][C][C][C][C][C][C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
23,880,887 | COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2cc(OC)ccc2OC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring2][#Branch1] |
155,416,530 | CCCC(c1ccc2cc(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)ccc2n1)N1CC(C)NC(C)C1 | [C][C][C][C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][S][C][=C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2] |
61,181,316 | COC1CC(C(=O)O)N(C(=O)NCc2ccccc2)C1 | [C][O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
158,779,412 | CC(=O)CBr.Cc1nc2cc(F)ccc2c(C(=O)O)c1O.Cc1nc2cc(F)ccc2cc1O.O.O=C1Nc2cc(F)ccc2C1=O.[K+].[OH-] | [C][C][=Branch1][C][=O][C][Br].[C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=C][O].[C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][O].[O].[O][=C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=O].[K+1].[OH1-1] |
11,958,849 | N/C(COc1ccc(Cl)cc1)=N\NS(=O)(=O)c1ccccc1 | [N][/C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][\N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
89,095,371 | CC1(C)C(N)=N[C@](C)(c2nc(-c3cccc(C#N)c3)ccc2F)CS1(=O)=O | [C][C][Branch1][C][C][C][Branch1][C][N][=N][C@][Branch1][C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][F][C][S][Ring2][Ring1][Branch2][=Branch1][C][=O][=O] |
63,720,182 | C=CCN(CC=C)C(=O)CN1CC(C)C(C(=O)O)C1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2] |
123,624,549 | CC1CC(NC(=O)OC(C)(C)C)CN(c2ccncc2N=C=S)C1 | [C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][N][Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][=S][C][Ring2][Ring1][#Branch1] |
118,368,830 | CCOC(=O)C(C)(CCN1Cc2cc(I)cn2C1=O)S(C)(=O)=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch2][Ring1][Ring1][C][C][N][C][C][=C][C][Branch1][C][I][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][S][Branch1][C][C][=Branch1][C][=O][=O] |
12,880,950 | CCC12CC3NC(Cc4ccccc41)C2CC3C(C)=O | [C][C][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Ring1][=N][C][C][Ring1][=N][C][Branch1][C][C][=O] |
39,404,420 | COc1cc(C[NH+](CC(=O)[O-])C2CC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][C][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] |
9,474,685 | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
70,801,374 | Cc1ccc(-c2cc3sc(Cc4nnc(CC(=O)O)o4)nc3cc2F)s1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][S][C][Branch1][P][C][C][=N][N][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][Ring1][=Branch2][=N][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][F][S][Ring2][Ring1][=Branch2] |
162,979,289 | CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]4(C)C3=CC[C@H]2C1(C)C | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C@@H1][Branch1][=N][C@H1][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][C][C@@][Ring1][=C][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][C][C@H1][Ring2][Ring1][Branch2][C][Ring2][Ring1][N][Branch1][C][C][C] |
112,268,497 | CCCC1(CN=C(N)NCCC(C)C)CCC1.I | [C][C][C][C][Branch1][#C][C][N][=C][Branch1][C][N][N][C][C][C][Branch1][C][C][C][C][C][C][Ring1][=C].[I] |
154,412,734 | CN(C)S(=O)(=O)N1CCN([n+]2cc(=N)o[n-]2)C(C(=O)C=Cc2ccccc2)C1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][N+1][=C][C][=Branch1][C][=N][O][N-1][Ring1][=Branch1][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
103,460,552 | CCC(C)(C)CNCc1ccc(F)c(-c2cccs2)c1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][N] |
46,521,807 | CCC(C)NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
120,248,643 | O=C(O)CCC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 | [O][=C][Branch1][C][O][C][C][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][Ring2][Ring1][Ring2] |
104,299,955 | Cc1cc(C(=O)NC2(CCl)CCCCC2)ccc1Br | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][Cl][C][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][Br] |
102,311,388 | CC(=O)/C=C/C=C(/C)C(=O)NCc1ccccc1 | [C][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
92,221,755 | CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](OS(C)(=O)=O)[C@H]1O | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C@H1][Ring2][Ring1][Branch1][O] |
79,136,764 | Cn1cc(C(O)C2(C#N)CCCc3ccccc32)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=N][Ring2][Ring1][Ring1] |
65,657,068 | N#CC1CC(=O)N(c2c(F)cc(F)cc2F)C1 | [N][#C][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][Ring1][#C] |
140,513,030 | CC(C)(C)OC(=O)NC1CCCCC/C=C\C2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)c3cnccn3)CN2C1=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][/C][=C][\C][C][C][Ring1][Ring1][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][N][Ring1][=C][C][Ring2][Ring2][=Branch1][=O] |
56,385,853 | COc1ccc(-c2noc(=O)n2Cc2nnc(C(=O)NCc3ccccc3)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=N][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C][C][=C][Ring2][Ring1][N][O][C] |
170,262,514 | CC1(c2c(-c3ccc(C4C=CC(N(C5=c6ccccc6=CCC5)c5ccccc5)=CC4)cc3)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21 | [C][C][Branch2][=Branch1][=Branch2][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][=C][C][=C][Ring2][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Branch1][#Branch1] |
56,473,455 | CCCCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 | [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][P] |
87,305,280 | COC(=O)C(N)(C(C)=O)P(=O)(OC)OC | [C][O][C][=Branch1][C][=O][C][Branch1][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C] |
146,631,736 | CNc1ccccc1COc1cccc(-c2ccccc2)c1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] |
59,967,939 | Cc1ccc(N(c2ccc(C=NN(c3ccccc3)c3ccccc3)cc2)c2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=C][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][C] |
171,792,265 | Cc1ccc(N2CCC3(CCCCN3)C2=O)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)nc2ccccc12 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][C][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
24,088,722 | CCOc1ccc(N2CC=C[C@H]3S[C@]45C=CCN(c6ccccc6Cl)C(=O)C4N([C@@H](CO)C(C)C)C(=O)[C@@H]5[C@H]3C2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Branch1][N][N][C][C][=C][C@H1][S][C@][C][=C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][Ring1][#C][N][Branch1][O][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch2][C@H1][Ring2][Ring1][N][C][Ring2][Ring1][P][=O][C][=C][Ring2][Ring2][Branch2] |
80,178,565 | CCC1(CC)CCN(CC(=O)Nc2cc(Cl)ccc2N)C1 | [C][C][C][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1] |
154,817,930 | CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC[C@H]2OCCN[C@@H]2C1 | [C][N][Branch1][S][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C][C@H1][O][C][C][N][C@@H1][Ring1][=Branch1][C][Ring1][#Branch2] |
161,614,179 | C1CCNCC1.Nc1ccc(CN2CCCCC2)cc1.O=[N+]([O-])c1ccc(CCl)cc1.O=[N+]([O-])c1ccc(CN2CCCCC2)cc1 | [C][C][C][N][C][C][Ring1][=Branch1].[N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N].[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2].[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
140,995,658 | CO.N.O | [C][O].[N].[O] |
113,084,527 | CCC(=O)NCC(C)(C)c1c[nH]c2cc(Cl)ccc12 | [C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
39,350,861 | NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2ccccc21 | [N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
143,804,085 | CNCc1cc(C2=CCCC=C2)ccc1O | [C][N][C][C][=C][C][Branch1][=Branch2][C][=C][C][C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O] |
53,862,011 | CCn1c2cc(N3CC(C)C(N)C3)c(F)cc2c(=O)c2c(=O)[nH]oc21 | [C][C][N][C][=C][C][Branch1][=C][N][C][C][Branch1][C][C][C][Branch1][C][N][C][Ring1][#Branch1][=C][Branch1][C][F][C][=C][Ring1][=C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][NH1][O][C][=Ring1][=Branch1][Ring2][Ring1][#Branch1] |
66,921,456 | Cl.O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cnc2ccccc2n1 | [Cl].[O][=C][Branch2][Ring1][=Branch2][N][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Ring1][=C][Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
166,249,807 | Cn1nc2c(c1NC(=O)C(=O)NCC1CCN1C1CC1)CCCC2 | [C][N][N][=C][C][=Branch2][Ring1][#Branch2][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][N][Ring1][Ring2][C][C][C][Ring1][Ring1][C][C][C][C][Ring2][Ring1][Branch1] |
145,890,933 | CC(=O)NC1CCC(NC(=O)c2cn(-c3cccc(Cl)c3)cn2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring1][N][C][C][Ring2][Ring1][Branch1] |
20,503,687 | NC(N)=N/C=C/C1CCC(/C=C/N=C(N)N)CC1 | [N][C][Branch1][C][N][=N][/C][=C][/C][C][C][C][Branch1][=Branch2][/C][=C][/N][=C][Branch1][C][N][N][C][C][Ring1][N] |
97,839,145 | COc1cc(CN2CCC[C@H]([C@@H](C)N)C2)cc([N+](=O)[O-])c1O | [C][O][C][=C][C][Branch1][P][C][N][C][C][C][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][N][C][Ring1][=Branch2][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1][O] |
124,220,321 | COC(=O)c1cc(OC)c(F)cn1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][=N][Ring1][=Branch2] |
156,880,930 | CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1c(F)ccc(OC)c1OC | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][S][N][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C] |
70,795,683 | CC(C)(CCC(COc1ccc(OC(F)(F)F)cc1)Cn1cc([N+](=O)[O-])nc1Br)[Si](C)(C)O | [C][C][Branch1][C][C][Branch2][Ring2][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][Ring1][Branch2][Br][Si][Branch1][C][C][Branch1][C][C][O] |
125,727,964 | N#CCC[C@H]1CCCC/C1=N/NC(=O)CCSc1ccc(Cl)cc1 | [N][#C][C][C][C@H1][C][C][C][C][/C][Ring1][=Branch1][=N][/N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
19,894,167 | COc1cc(C2CC2CN(O)C(N)=O)ccc1C | [C][O][C][=C][C][Branch1][S][C][C][C][Ring1][Ring1][C][N][Branch1][C][O][C][Branch1][C][N][=O][=C][C][=C][Ring1][#C][C] |
83,168,432 | Cc1cc(Br)cn2c(N)c(-c3cncn3C3CC3)nc12 | [C][C][=C][C][Branch1][C][Br][=C][N][C][Branch1][C][N][=C][Branch1][=N][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][Ring1][Ring1][=C] |
58,059,622 | CC(=O)NC1[C@H](C)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)C1O[C@@H]1OC(C)[C@H](O)[C@@H](O)C1O | [C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C@@H1][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][O][C@@H1][O][C][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][=Branch2][O] |
83,090,209 | CNC(c1nc2c(s1)CCC2)c1cn(C)nc1C | [C][N][C][Branch1][#C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C] |
110,324,253 | COc1ccc(-c2noc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][O][C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
15,529,140 | Cc1ccc([C@@]2(O)C[C@@H](C)[C@@H]2NC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C@@][Branch1][C][O][C][C@@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
4,491,211 | CCc1cc(Br)c(O)c(N=Nc2ccccc2)c1 | [C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] |
136,101,575 | O=C(CCCCCN=C1NS(=O)(=O)c2ccccc21)Nc1nc(N2CCCCC2)n[nH]1 | [O][=C][Branch2][Ring1][#Branch2][C][C][C][C][C][N][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring1][O] |
82,379,424 | CN1CCCC(=O)c2cc(Br)cc(N)c21 | [C][N][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][N][=C][Ring1][Branch2][Ring1][=C] |
24,640,260 | CCc1ccc(C(CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)N(C)C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][=Ring1][N][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][N] |
67,397,970 | O=C1CC[C@H](/C=C(/c2ccc(OC3CCCC3)c(Cl)c2)c2ccc(C3CC3)c(=O)[nH]2)N1 | [O][=C][C][C][C@H1][Branch2][Ring2][=N][/C][=C][Branch2][Ring1][=Branch1][/C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][N][Ring2][Ring1][=C] |
18,315,352 | CCC(O)c1ccc(OCc2ccccc2)cc1 | [C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
58,811,206 | CC(=O)Oc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2[nH]1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][Cl][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1] |
126,721,780 | COc1nc(NCc2ccccc2)c(F)cc1CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C | [C][O][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
135,800,708 | O=C1N/C(=C\c2ccc(O)cc2)C(=S)N1Cc1ccc(Cl)cc1 | [O][=C][N][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=S][N][Ring1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
119,194,747 | CC1CN(S(=O)(=O)c2cccc(C(=O)N(CC(=O)O)C3CC3)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][=C][Ring1][S][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2] |
161,392,545 | COc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CBr)cccc3C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CC#N)cccc3C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CC(=O)O)cccc3C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CC2=Nc3c(CO)cccc3C2)c(C)c1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][Branch1][Ring1][C][Br][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2].[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][Branch1][Ring2][C][C][#N][C][=C][C][=C][Ring1][=Branch2][C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2].[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][O].[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][Branch1][Ring1][C][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
46,932,106 | N#Cc1cccc(N2CCn3cc(-c4ccccn4)nc3C2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C][=C][Ring2][Ring1][Branch1] |
158,377,425 | c1ccc(-c2ccc3c(c2)-c2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc2C32c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3C43c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc43)cc2)cc1 | [C][=C][C][=C][Branch2][#Branch2][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][S][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][C][=C][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Branch2][Ring1][S][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][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring2][=N][C][=C][Ring2][#Branch1][C].[C][=C][C][=C][Branch2][N][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][#Branch2][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][Branch2][Ring1][S][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][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Branch1][Ring1][C][=C][Ring2][#Branch1][Branch2][C][=C][Ring2][Branch2][Branch1] |
4,769,149 | O=C(O)C(=Cc1ccc(OCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)NC(=O)c1ccccc1 | [O][=C][Branch1][C][O][C][=Branch2][Ring2][#Branch1][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
1,916,159 | Cc1ccc(-c2ccc(/C=C3/SC(N4CC[NH+](Cc5ccccc5)CC4)=NC3=O)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][P][/C][=C][/S][C][Branch2][Ring1][Ring2][N][C][C][NH1+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][Ring2][Ring1][C][=O][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
129,484,719 | Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c(F)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C@H1][C][C][N][Branch1][C][C][C][C@@H1][Ring1][#Branch1][Ring1][O][C][Branch1][C][F][=C][Ring2][Ring1][Branch1] |
108,392,856 | Clc1ccc(Br)cc1CNCCC1CC1 | [Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][C][C][C][C][Ring1][Ring1] |
10,587,206 | CCCCCC(CCCC)C(CCCCC)OC | [C][C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][Branch1][=Branch1][C][C][C][C][C][O][C] |
53,387,341 | C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO)[C@@H](C=C)O[Si](C)(C)C(C)(C)C | [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][Branch1][=Branch1][O][C][C][C][O][C@@H1][Branch1][Ring1][C][=C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
87,000,211 | CCCN(Cc1ccccc1)C(=O)NC(C)c1ccco1 | [C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1] |
120,841,521 | c1cc2c(cc1-c1nc(CC3CC3)no1)CCNCC2 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][O][Ring1][=Branch2][C][C][N][C][C][Ring2][Ring1][C] |
80,133,655 | NC1CC(c2ccccn2)C1 | [N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#Branch2] |
164,895,618 | CCCOc1cc(I)cc(OC(F)(F)F)c1 | [C][C][C][O][C][=C][C][Branch1][C][I][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N] |
117,139,171 | CN1CCCCC1c1nnc2ccc(Cl)cn12 | [C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][#Branch2][Ring1][#Branch1] |