CID
int64
8
172M
SMILES
large_stringlengths
1
3.78k
SELFIES
stringlengths
3
9.88k
158,615,042
BrB(Br)Br.C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1ccc(-c2c(C)ncnc2C)c2cc[nH]c12.COc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12.COc1ccc(Br)c2cc[nH]c12.Cc1ncnc(C)c1-c1ccc(O)c2[nH]ccc12.Cc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)c2[nH]ccc12.Cc1ncnc(C)c1Br.Clc1nccc2occc12.O=CO[O-].[Cs+].[Cs+].[H-]
[Br][B][Branch1][C][Br][Br].[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].[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].[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][C].[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][O][C][Ring1][#C][Branch1][C][C][C].[C][O][C][=C][C][=C][Branch1][=N][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][C][C][C][=C][NH1][C][Ring1][P][=Ring1][Branch1].[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][=C][NH1][C][Ring2][Ring1][C][=Ring1][Branch1].[C][O][C][=C][C][=C][Branch1][C][Br][C][C][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1].[C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][NH1][C][=C][C][Ring1][#Branch2][=Ring1][Branch1].[C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][NH1][C][=C][C][Ring2][Ring1][Ring1][=Ring1][Branch1].[C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][Br].[Cl][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1].[O][=C][O][O-1].[Cs+1].[Cs+1].[H-1]
160,492,049
C=CCCCCCCCOC(C)=O.CCC/C=C\CCCCCCCOC(C)=O
[C][=C][C][C][C][C][C][C][C][O][C][Branch1][C][C][=O].[C][C][C][/C][=C][\C][C][C][C][C][C][C][O][C][Branch1][C][C][=O]
53,378,475
Cc1ccc2c(c1)c1c3n2CC(c2ccncc2)S(=O)(=O)C3CN(C)C1
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=C][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1]
103,805,581
CCNCCCNC(=O)c1cc(Cl)sc1Cl
[C][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl]
105,759,584
CC(CCC(=O)O)NC(=O)NCC1(C)CCC1
[C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][Branch1]
96,368,953
O=c1cc(CN2CCCC[C@H]2CN2CCOCC2)nc2c(O)cccn12
[O][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][C][Branch1][C][O][=C][C][=C][N][Ring2][Ring1][=Branch2][Ring1][#Branch1]
85,522,029
BrCCOCCOc1ccc(OCCOCCBr)cc1
[Br][C][C][O][C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][O][C][C][Br][C][=C][Ring1][=N]
163,886,538
c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
[C][=C][C][=C][Branch2][#Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][=Branch1][Ring1][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][#Branch1][=C][C][=C][Ring2][Ring2][=N][Ring2][Branch1][Ring2][C][=C][Ring2][Branch1][#Branch2]
141,101,266
CCOC(=O)c1ccccc1C(=O)/C=C/N(C)C
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/N][Branch1][C][C][C]
106,421,622
Cc1noc(CCN2CCCNC(c3ccccc3)C2)n1
[C][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][N][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][Ring2]
155,794,966
Cc1c(Nc2nccc3cc(CNC4([C@H](C)O)CC4)cnc23)cccc1-c1cccc(Nc2nccc3cc(CNC4([C@H](C)O)CC4)cnc23)c1C
[C][C][=C][Branch2][Ring1][P][N][C][=N][C][=C][C][=C][C][Branch1][#C][C][N][C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][C][Ring1][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=N][C][=C][C][=C][C][Branch1][#C][C][N][C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][C][Ring1][=C][=C][Ring2][Ring1][=Branch2][C]
108,655,165
Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2c2ccco2)cc1Cl
[C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2][Cl]
157,228,226
CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)C1.C[C@H](CC(=O)OCc1ccccc1)c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2].[C][C@H1][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][O][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
228,095
O=C(O)CC(Cc1ccccc1Cl)C(=O)O
[O][=C][Branch1][C][O][C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][O]
166,504,536
Cc1c(F)c(F)c(C(=O)Nc2cccc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)c(F)c1F
[C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][NH1][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring2][#Branch1][F]
21,523,274
COP(=S)(NC(C)C)Oc1cccc(Cl)c1Cl
[C][O][P][=Branch1][C][=S][Branch1][#Branch1][N][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
129,392,425
CNC(=O)c1ccc([C@@H](CCN)c2ccc(F)cc2)cc1
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C@@H1][Branch1][Ring2][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P]
5,768,469
CCOc1cc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)ccc1O
[C][C][O][C][=C][C][Branch2][Ring2][#Branch1][C][/C][=Branch1][S][=C][Branch1][C][/O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][O]
103,189,276
CCN(c1ccc(F)c(N)c1C(=O)O)C(C)CN(C)C
[C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Branch1][C][C][C]
141,214,876
CCCCC1=C(c2ccc(N(C)C3CCCNC3)cc2)CN2C=CC=CC2=N1
[C][C][C][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][C][C][C][C][N][C][Ring1][=Branch1][C][=C][Ring1][=C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2]
1,535,013
Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccccc2)cc1
[C][C][=C][C][=C][Branch2][Ring1][#C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C@@H1][Branch1][#Branch1][C][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
10,025,663
Cc1nc(NCC2CCN(C(=O)OC(C)(C)C)CC2)cc(Nc2ncc(C#N)s2)n1
[C][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][Branch1][=N][N][C][=N][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1][=N][Ring2][Ring1][=N]
8,758,347
COC(=O)[C@@H]1Cc2ccccc2C[NH+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C
[C][O][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH1+1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][O][Branch1][C][C][C]
138,995,719
CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C3CCOC3)c2)c1
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=C][Ring1][O][=C][Ring2][Ring1][Branch1]
130,629,028
Cc1nnc(Sc2cccs2)s1
[C][C][=N][N][=C][Branch1][=Branch2][S][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][O]
103,297,350
Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCOCC2)c1F
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][F]
103,798,613
O=C(NC1CCCCC1CO)c1cccc(Cl)c1
[O][=C][Branch1][N][N][C][C][C][C][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
22,419,323
CCN1CNC(C)C1
[C][C][N][C][N][C][Branch1][C][C][C][Ring1][=Branch1]
88,285,385
CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(NCCNC)nc4ccccc34)cc2)CC1C(=O)NO
[C][C][O][C][=Branch1][C][=O][C@@][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][C][Branch1][=Branch1][N][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][O][C][=Branch1][C][=O][N][O]
42,462,899
Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)cc1C
[C][C][=C][C][=C][Branch2][Ring1][N][N][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1][C]
102,872,951
O=C(c1cccc2ccccc12)N(CCBr)C1CCC1
[O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Branch1][Ring2][C][C][Br][C][C][C][C][Ring1][Ring2]
117,660,327
[2H]c1c(F)c(F)c(F)c([2H])c1-c1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2)cc1F
[2H][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][2H][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][C][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][F]
90,739,952
CC.CC.Cc1ccc2cnccc2c1
[C][C].[C][C].[C][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
159,314,375
CC(C)(C)C1[C@H]2CNC[C@@H]12.CC(C)C1(C)CCN(CC(C)(C)C#N)CC1.CC(C)C1(C)CCN(CC(F)(F)F)CC1.CC(C)C1(C)CCN(CCC#N)CC1.CC(C)C1CC2CCC1O2.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCCC1.CC(C)C1CCCCN(C(=O)CC#N)C1.CC(C)C1CCN(C)CC1(F)F.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1.CC(C)C1CCN(CCF)CC1.CC(C)C1CCOC1.CC(C)C1CNCCOC1.CCN1CCC(C(C)C)C(F)(F)C1.CCN1CCC(C(C)C)[C@@H](F)C1.[2H]C1C([2H])([2H])C([2H])C([2H])([2H])C([2H])(C(C)C)C1([2H])[2H].[C-]#[N+]CN1CCC(C)(C(C)C)CC1
[C][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][N][C][C@@H1][Ring1][=Branch1][Ring1][Branch1].[C][C][Branch1][C][C][C][Branch1][C][C][C][C][N][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][Ring1][=N].[C][C][Branch1][C][C][C][Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N].[C][C][Branch1][C][C][C][Branch1][C][C][C][C][N][Branch1][Branch1][C][C][C][#N][C][C][Ring1][O].[C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1].[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][Branch2].[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][Branch2].[C][C][Branch1][C][C][C][C][C][C][C][Ring1][Branch1].[C][C][Branch1][C][C][C][C][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][Ring1][N].[C][C][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][F][F].[C][C][Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O].[C][C][Branch1][C][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2].[C][C][Branch1][C][C][C][C][C][N][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2].[C][C][Branch1][C][C][C][C][C][O][C][Ring1][Branch1].[C][C][Branch1][C][C][C][C][N][C][C][O][C][Ring1][#Branch1].[C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][O].[C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][F][C][Ring1][#Branch2].[2H][C][C][Branch1][C][2H][Branch1][C][2H][C][Branch1][C][2H][C][Branch1][C][2H][Branch1][C][2H][C][Branch1][C][2H][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#C][Branch1][C][2H][2H].[C-1][#N+1][C][N][C][C][C][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch2]
103,235,211
NC(=O)CNC/C=C/C(=O)O
[N][C][=Branch1][C][=O][C][N][C][/C][=C][/C][=Branch1][C][=O][O]
62,935,527
N#CCC(c1ccccc1)N1CCC2(CCCCC2)CC1
[N][#C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][O]
116,345,980
Cc1nn(C)c(C)c1C(=O)NC(C)(C)CCN
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][N]
25,071,905
CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cn2)ncc1C(F)(F)F
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
91,141,569
NC(=O)C(CCO)c1cccc([N+](=O)[O-])c1
[N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
56,643,068
CN(C)c1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
7,378,882
CC[NH2+]Cc1cc(OC)c(OC)cc1Cl
[C][C][NH2+1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Cl]
136,678,476
Cc1cc(/C(N)=N/O)nc(Sc2nc(C)c(C)c(C)n2)n1
[C][C][=C][C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][=N][C][Branch2][Ring1][Ring1][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][=Branch2][=N][Ring2][Ring1][Ring2]
8,543,381
COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C)CC2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][NH1+1][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
135,766,396
O=C(CN=C1NS(=O)(=O)c2ccccc21)OCc1nnc(-c2ccccc2)o1
[O][=C][Branch2][Ring1][=Branch1][C][N][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
161,741,032
Cc1ccc(-n2cnc(C(F)(F)F)n2)c(C)c1.Cc1ccc(N(C=N)NC(=O)C(F)(F)F)c(C)c1.Cc1ccc(NNC(=O)C(F)(F)F)c(C)c1.[OH-]
[C][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S].[C][C][=C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Ring1][C][=N][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring1][P].[C][C][=C][C][=C][Branch1][#C][N][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring1][#C].[OH1-1]
141,549,799
O=C(O)C1=C(/C=C/Cl)CS[C@@H]2C(NC(=O)[C@H](O)c3ccccc3)C(=O)N12
[O][=C][Branch1][C][O][C][=C][Branch1][Ring2][/C][=C][/Cl][C][S][C@@H1][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring1][S]
113,500,490
C=CCN(CCO)C(=O)N[C@@H](CC(=O)O)C(=O)O
[C][=C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
164,795,172
COc1ccc(Oc2ccc(C3=NN(C=O)C(c4cc(O)c(O)c(Br)c4)C3)cc2)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][S][C][=N][N][Branch1][Ring1][C][=O][C][Branch2][Ring1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
20,992,195
COc1ccc(C(Cc2ccc(Oc3c(C)cccc3C)cc2)C(=O)O)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][#C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2]
167,360,104
CN(C(=O)C1C2CC(F)(F)CN2C2(C(=O)Nc3c(Cl)cc(Cl)cc32)C1C(=O)O)C12CC3CC(CC(C3)C1)C2
[C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N][C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
20,891,848
COc1ccc(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][N][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch2]
88,555,763
CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c3cc21
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=N][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring2][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=N][C][Branch2][Ring2][Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][=Branch1][#C][C][=C][Ring2][#Branch1][Ring1][Ring2][=Branch2][C]
49,202
CCCCC1(CC=C(C)C)C(=O)NC(=O)NC1=O
[C][C][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O]
9,978,939
COc1ccc(N2CCN(CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
133,529,796
Fc1cccc2c(Nc3ccc4[nH]ncc4c3)ncnc12
[F][C][=C][C][=C][C][=C][Branch1][#C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][=C][N][=C][Ring2][Ring1][Ring2][Ring1][S]
118,468,411
COc1cc2c(cc1Cc1ccc(-n3cccn3)cc1)C(=O)N(C1CCCCC1O)C2
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][C][Ring2][Ring1][O]
11,316,317
CCOC(=O)C(C(=O)c1ccccc1)C(C(=O)OCC)C(O)c1ccc2c(c1)OCO2
[C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
154,406,240
CC1CC(C)CN(C(=O)CC[NH-])C1
[C][C][C][C][Branch1][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][NH1-1][C][Ring1][N]
60,889,400
CNC(C)c1ccc2ccccc2c1OCC#N
[C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][#N]
58,250,258
COC(C)CC(OC)C(C)(C)C
[C][O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C]
94,217,840
COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccco2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
56,693,002
Cc1nn(C(=N)n2ncc([N+](=O)[O-])c2C)cc1[N+](=O)[O-]
[C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=N][N][N][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2][C][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1]
4,009,932
NCCCCc1c(-c2cccc3cccnc23)[nH]c2ccc(OC(F)(F)F)cc12
[N][C][C][C][C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2][Ring1][O]
68,570,548
COC(=O)O[C@@H]1CCc2ccccc2N1[C@H]1c2cc([N+](=O)[O-])ccc2O[C@](C)(C(OC)OC)[C@@H]1O
[C][O][C][=Branch1][C][=O][O][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C@H1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C@][Branch1][C][C][Branch1][Branch2][C][Branch1][Ring1][O][C][O][C][C@@H1][Ring2][Ring1][Ring1][O]
123,866,132
CC(C)N(CCC[Si](C)(OC(C)(C)N)C(C)(C)N)CC(O)CO
[C][C][Branch1][C][C][N][Branch2][Ring1][O][C][C][C][Si][Branch1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O]
16,687,396
O=S(=O)(O)c1ccc(Pc2ccccc2)cc1
[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
145,870,703
CCCc1nc(C2CN(S(=O)(=O)c3ccc(C)c(F)c3)CC23CCC3)n[nH]1
[C][C][C][C][=N][C][Branch2][Ring2][Branch1][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][S][C][C][C][Ring1][Ring2][=N][NH1][Ring2][Ring1][Branch2]
165,522,303
COC(C)C(=O)c1ncc(C2OCCO2)s1
[C][O][C][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][S][Ring1][#Branch2]
66,181,945
CCN(CC1CCC1)C1CNC1
[C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][N][C][Ring1][Ring2]
39,781,816
C[C@@H]1CCc2c(sc3ncn([C@@H](C)Cc4cnccn4)c(=O)c23)C1
[C][C@@H1][C][C][C][=C][Branch2][Ring1][#C][S][C][N][=C][N][Branch1][=C][C@@H1][Branch1][C][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][S][C][Ring2][Ring1][#Branch1]
64,601,602
CNCc1sc2ccccc2c1COc1cncc(Cl)c1
[C][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
43,683,337
CSc1ccccc1NC1CCCCCC1
[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1]
141,605,117
CC(Oc1nc(-c2cnc3ccccn23)sc1CC(N)=O)c1ccccc1Cl
[C][C][Branch2][Ring1][=C][O][C][N][=C][Branch1][=C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
70,917,228
CC1CC2(C)CC([C@H](N)C(=O)N3CCCC3)CC(O)(C1)C2
[C][C][C][C][Branch1][C][C][C][C][Branch1][S][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][O][Branch1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][C]
9,652,471
Nc1nnnn1/N=C/c1cccc2nsnc12
[N][C][=N][N][=N][N][Ring1][Branch1][/N][=C][/C][=C][C][=C][C][=N][S][N][=C][Ring1][=Branch2][Ring1][Branch1]
91,437,252
C=[N+](CCNc1ccc(NC(C)=O)cn1)C(=O)c1ccc(C)c2c1N=C(c1cccs1)[N+]2=C
[C][=N+1][Branch2][Ring1][Ring2][C][C][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N+1][Ring1][#Branch2][=C]
140,848,028
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)CC(N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)CN[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][O][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][N][C@H1][Branch1][C][C][C@H1][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][=N][Ring1][N][C][=Branch1][C][=O][O][C@][Ring2][Branch1][=Branch2][Ring2][Ring1][=Branch1][C]
106,089,987
CNCC1CCCCN1S(=O)(=O)NCC1CCC(C)C1
[C][N][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1]
157,031,945
C1CC1.CCc1ccccc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.FC1(F)CCCCC1
[C][C][C][Ring1][Ring1].[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][N][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][S][=N][Ring2][Ring1][Ring1].[F][C][Branch1][C][F][C][C][C][C][C][Ring1][#Branch1]
140,687,309
CCCCCCc1ccsc1-c1ccnc(-c2cccs2)c1
[C][C][C][C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][O]
111,602,670
CN=C(NCc1oc2ccccc2c1C)NCC(C(=O)N1CCOCC1)c1ccccc1.I
[C][N][=C][Branch1][P][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[I]
117,395,251
COc1c(Cl)cc(CO)cc1OC1CCCC1
[C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][O][C][C][C][C][C][Ring1][Branch1]
22,907,218
COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C(=O)NO)C(O)C(C)C)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Branch1][C][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O]
104,703,280
Cc1[nH]c(-c2cc(Br)cc3c2OCC3)nc1C(=O)O
[C][C][NH1][C][Branch1][P][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1][=N][C][=Ring1][#C][C][=Branch1][C][=O][O]
145,130,126
CC(C)(C)OC(=O)N1CCC(CNc2ncnc(N)c2C(=N)c2ccc3cc(O)ccc3c2)CC1
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Ring1][C][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][C][Ring2][Ring1][N]
171,970,716
CC(C)(C)OC(=O)N1C2C=C(c3ccnc(C(F)(F)F)c3)CC1CC2
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][C][Ring1][P]
57,903,485
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)CC)cc3)cc2C)cc1
[C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][C][C][=C][Ring2][Ring2][Branch1]
91,163,701
CCCCC(=O)NNC(=O)CN(C)C
[C][C][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C]
112,094,073
CN=C(NCCNC(C)(C)C)NCC1CCCOC1c1ccc(C)cc1
[C][N][=C][Branch1][=N][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
44,913,906
O=C(NCc1nnc(SCc2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1)c1cccc(F)c1
[O][=C][Branch2][Ring2][O][N][C][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
100,097,412
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1
[C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][Branch1][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
120,935,214
CC(CNC(=O)C1(CN)CCOCC1)Oc1ccccc1Br.Cl
[C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][N][C][C][O][C][C][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br].[Cl]
166,863,415
CC[C@H](C)C1NC(=O)[C@H](C[C@H]2CN=C(N)N2)NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCc2ccccc2)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@H](C)OC1=O
[C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C][C@H1][C][N][=C][Branch1][C][N][N][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][=Branch1][P][=O]
4,924,006
O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1
[O][=C][Branch2][Ring1][Ring2][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
115,726,368
CC(C)=CCCC(C)NCc1ccon1
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][N][C][C][C][=C][O][N][=Ring1][Branch1]
382,451
Cl.O=[N+]([O-])c1ccc(C[N+]([O-])(CCCl)CCCl)cc1
[Cl].[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=C][C][N+1][Branch1][C][O-1][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][#C]
144,710,049
CCc1oc(C)c(C2=CN[C@]3(C)C(=C2)CCC(CC2CCCCC2)C=C3c2ccc(CC(=O)O)cc2)c1C
[C][C][C][O][C][Branch1][C][C][=C][Branch2][Ring2][S][C][=C][N][C@][Branch1][C][C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Ring2][Ring2][Ring1][C]
104,838,697
O=[N+]([O-])c1c(Cl)cccc1Nc1cccc(Cl)c1F
[O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F]
28,307,898
CC[C@H](CNc1ccccc1OC[C@H]1CCCO1)Oc1ccccc1C
[C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][C][C][C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
93,194,125
CCN(CC)c1ccc(C(=O)CCN2CCC(C)CC2)cc1C
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][C]