O=C1OC=2C=C(C=CC2C(=C1)C)N3C(=O)C=CC3=O	M0117
[H][C@]12CC[C@@]3(CS(=O)(=O)N4O[C@]34C1(Cl)Cl)C2(C)C	D0021
OC1=C2C(O[C@@H](C3=CC=C(O)C(O)=C3)[C@H](O)C2)=CC(O)=C1	C0453
O=C1C=CC=C2[C@@H]3CNCC(C3)CN12	C0228
[H][C@@]12CC[C@]3(CS(=O)(=O)N4O[C@@]34C1(Cl)Cl)C2(C)C	D0031
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCCC[C@@H]2SC[C@@]3([H])[C@]2([H])NC(N3)=O	B0308
[H][C@@]12CN(C)C[C@@]([H])(C1)C1([H])CCCCN1C2	S0045
C=C1[C@@]2([H])C(C)(C)[C@@](CC[C@H]3C)([H])[C@@]3(CC1)C2	C0866
O=C1C(O)C(C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3	D0442
O[C@H](CO)COC1=CC=CC2=CC=CC=C21	N0073
C[Si](C)(C)C(F)F	D0301
CC(C)/C=C/CCCCC(O)=O	M0209
CCCCCCCCCCC[C@@H](O)CC(O)=O	H0114
COC[C@@H](O)[C@H](O)COC	D0341
O=C(O)C(C1=CC=C2C(Br)=C(OC)C=CC2=C1)C	N0272
C[C@H](C(O)=O)C1=CC2=CC=C(O)C=C2C=C1	D0390
OC1=CC=C(CCC(C[C@@H](O)CCCCCCCCC)=O)C=C1OC	G0198
O=C(CCl)NC1=CC2=CC=C[N]3=C2C4=C1C=CC=[N]4[Ru]56([N]7=C(C8=CC=CC=[N]85)C=CC=C7)3[N]9=C(C%10=CC=CC=[N]%106)C=CC=C9	R0028
O=C(CI)NC1=CC2=CC=C[N]3=C2C4=C1C=CC=[N]4[Ru]56([N]7=C(C8=CC=CC=[N]85)C=CC=C7)3[N]9=C(C%10=CC=CC=[N]%106)C=CC=C9	R0029
CC1=C(Cl)C(C(C)=O)=C(C)C(Cl)=C1	D0269
N(=NC1=CC=CC=N1)C=2C3=C(C=CC2O)C=CC=C3	P0720
CN(C)C1=CC=C(C=C1)C(=O)CC1=C2C=CC=CC2=C2C=CC=CC2=N1	D0313
C(C)(O)C1=CC2=C(C=C(OC)C=C2)C=C1	M0758
C(CN1C=NC=N1)N1C=NC=N1	E0066
OC(C(F)(F)F)C(F)(F)F	H0311
N=1C=CC=C2C=CC=3C=CC=NC3C12	P0153
CCCCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.[O-]Cl(=O)(=O)=O	D0997
CCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O	D1022
CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O	D1132
CC1(C)C=2C([N+](C)=C1C=CC=CC=CC=C3N(C)C=4C(C3(C)C)=CC=CC4)=CC=CC2.Cl(=O)(=O)(=O)[O-]	D0884
O=Cl(=O)(=O)[O-].C=1C=CC2=C(C1)N(C(=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C2(C)C)C	D1109
[B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C	D1107
CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O	D0230
CC1(C)C2=C(C=CC=C2)N(CCCCCCCCCCCCCCCCCC)C1=CC=CC=CC=CC3=[N+](CCCCCCCCCCCCCCCCCC)C4=C(C3(C)C)C=CC=C4.[I-]	D1020
CC1(C)O[I](O)C2=CC=CC=C12	D0255
CN(C)C(=O)C12C3C4C1C1C2C3C41C(=O)N(C)C	C0238
OC(=O)C12C3C4C1C1C2C3C41C(O)=O	C0236
CC(=O)N1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2	A0022
O=C(N1C=2C=CC=CC2OC=3C=CC=CC31)C	A0694
CN(C)C1=CC=C2C([N+](CCCCCCCCCCCC)=C(C=C(N(C)C)C=C3)C3=C2)=C1.[Br-]	D0120
OC(/C=C(C)\C=C\C=C(C)\C=C\C(C(C)(CC1)C)=C(C)C1=O)=O	O0048
O[I]1OC(=O)C2=CC=CC=C12	H0103
CN1C=C(CCN)C2=CC=CC=C12	M0138
O=C(NN)CCCC1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34	P0049
[H]C(=O)C1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34	P0093
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)C)([H])/C(CCC1)=C/C=C3C([C@H](C[C@@H](C\3)O)O)=C	H0262
OC1=C(OC2=CC=CC=C2C1=O)C1=CC2=C(O1)C=CC=C2	B0069
CCCCCOC(C#N)C1=CC=C2C=CC=CC2=C1	N0053
CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1=CC=C(N)C=C1	M0118
CC1=CC=C(C=C1)S(=O)(=O)OC1CCCCCC1=O	T0128
SCC([NH3+])C[NH3+].[Br-].[Br-]	D0138
C1(C2=NC=CC=C2)=NC(C3=CC=CC=N3)=NC(C4=CC=CC=N4)=N1	T0458
C1=CC(=C(C(=C1O)Cl)O)Cl	D0334
CC1=C(C=C(C)C(Cl)=C1)Cl	D0267
CCC(ON1C(CCC1=O)=O)=O	D0489
OC1=CC2=C(C=C1F)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C(F)=C1	D0087
O=C(O1)C2=C(C=CC=C2)C31C4=C(C=C(OC(C)=O)C(F)=C4)OC5=CC(OC(C)=O)=C(F)C=C53	D0150
CC1=CC(OCCOC2=C(N)C=CC=C2)=C(N)C=C1	A0254
ClS(=O)(=O)C1=CC2=CC3=CC=CC=C3C=C2C=C1	A0062
OC(C=C1)=C(Cl)C(O)=C1OC	C0764
CC(C)([NH3+])C1CC1.CC1=CC=C(C=C1)S([O-])(=O)=O	C0145
CCOC(C#N)C1=CC=C2C=CC=CC2=C1	E0031
CCCCCCCC1=C(O)C(=O)C2=C(N1)C=CC=C2	H0077
FC1=C2C(C(OI2O)=O)=C(F)C(F)=C1F	I0027
O[I]1(=O)OC(=O)C2=C(F)C(F)=C(F)C(F)=C12	I0028
CS(=O)(=O)OCCN1C(=O)C=CC1=O	M0078
COC(C#N)C1=CC=C2C=CC=CC2=C1	M0072
CC1=NC=C(N1CC(O)=O)[N+]([O-])=O	M0091
[C-]#[N+]CCN1CCOCC1	M0701
CC/C=C(CCC)/C(O)=O	P0155
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=CC1=O	T0085
[H]C(=O)C1=NC2=CC=CC=C2C=C1C(=O)C1=CC=CO1	F0001
CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-]	D0130
[H]C(=O)C1=C(O)C(F)=C(O)C(F)=C1	D0330
CC(C(C(C)=C/1)=O)=CC1=N/C(C)=O	A0163
OC(C1=C(C(Cl)=CC(C(O)=O)=C1Cl)C(O)=O)=O	D0268
O=C(C)NC1=C2C(C(OC2=O)=O)=CC=C1[N+]([O-])=O	A0246
O=C1[C@@]([C@](CC2)(C)[C@@]([C@@](C)(C(O)=O)[C@@H]2OC(C)=O)([H])CC3)([H])[C@]3(C)[C@@]4(C)C([C@@]([C@@H](C)[C@H](C)CC5)([H])[C@@]5(C)CC4)=C1	A0327
O=C1OC2=C(C=C1C(C)=O)C=CC(O)=C2	A0003
CC(Br)C#C	B0250
OC1=C(F)C2=C(C=C1F)C=C(C(=O)ON1C(=O)CCC1=O)C(=O)O2	C0036
ClC1=C(/C=N/C2=CC=CC=C2)CCC/C1=C\[NH2+]C3=CC=CC=C3.[Cl-]	B0056
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@H](C3)O	H0030
CCOC1=CC2=C(C=C1)C=C(C#N)C(=O)O2	C0092
O=C1OCCC1NC(=O)CC(C)O	H0076
CCCCCCCCCC(=O)CC(=O)NC1CCCCC1=O	O0034
O=[N+](C1=CC=C(NCC2=CC=C(OC)C=C2)C3=NON=C13)[O-]	M0121
CC1=CC=C2N=C(SC2=C1)C1=CC=C(N)C=C1	M0119
OC1=CC=C(C(C2=CC=CC=C2C(O)=O)=C(C=C3)C(O4)=C(CN)C3=O)C4=C1.Cl	A0075
CCN(CC)CC1=CC(=O)OC2=C1C=CC(OC)=C2	D0018
CCCOC1=CC2=C(C=C1)C(CN(CC)CC)=CC(=O)O2	D0019
CCCOC1=CC2=C(C=C1)C(CN(C)C)=CC(=O)O2	D0020
[Na+].[Na+].[O-]P([O-])(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F	T0007
CC1=NC(=CS1)C1=CC=C(O)C=C1	M0006
O=C(O1)C2=CC([N+]([O-])=O)=C(NC(C)=O)C=C2C1=O	A0245
C(=N)(N)C1=CC=C(N)C=C1.Cl	A0920
ClC1=CC=CC2=NON=C21	C0577
[I-].CCN(CC)C1=CC=C(\C=C\C2=CC=[N+](C)C=C2)C=C1	D0012
O=C1C2=C(C=CC=C2)OC(C3=CC=C(N(CC)CC)C=C3)=C1O	D0202
O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3CC2C(C1O)N(C)C.N	E0592
FC1=CC=CC2=NON=C12	F0213
CC/C(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)/C3=CC=C(OCCN(C)C)C=C3	H0150
COC1=CC=C([N+]([O-])=O)C2=NON=C21	M0520
CC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2	M0010
CC=1C=2C(=CC(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC(=O)C1	M0583
O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O[C@@H]1CO	M0580
CC(C1=CC=C(OC(CCCCCCCC)=O)C=C1O2)=CC2=O	M0219
CC(C1=CC=C(OC(CCCCCCC)=O)C=C1O2)=CC2=O	M0218
C[C@@H]1O[C@@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)[C@@H](O)[C@H](O)[C@@H]1O	M0587
O=C(C1=CC=C([N+]([O-])=O)C2=C1C3=CC=C2)OC3=O	N0517
O[C@H]1[C@H](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)[C@H](O)C[C@@](O)(C(O)=O)C1	C0702
NC1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2	A0039
CC(=O)ON1C(=O)CCC1=O.CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=CC=C(OC(C)=O)C=C1O2	C0037
CC(O)=O.CN(C)C1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=CC=C(C=C1O2)N(C)C	C0038
CN(C)C1=CC=C(C(C2=CC=CC=C2C([O-])=O)=C(C=C/3)C(O4)=CC3=[N+](C)\C)C4=C1.O=C(C)ON5C(CCC5=O)=O	C0027
CN(C)C1=CC2OC3=CC(=CC=C3C3(OC(=O)C4=C3C=CC(N)=C4)C2C=C1)N(C)C	A0156
ClC1=C(OC(C)=O)C=C2C(C3(C(C=CC(C(O)=O)=C4)=C4C(O3)=O)C(C=C(Cl)C(OC(C)=O)=C5)=C5O2)=C1	C0333
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)C(=O)NCC(=O)SCC1=CC=CC=C1)C1=CC=C(OC(C)=O)C=C1O2	C0051
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CCl)O3	C0345
Cl.OC(=O)C1=C(C=CC(NC2=NC(Cl)=NC(Cl)=N2)=C1)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12	D0123
OC(=O)C1=CC=C(C(=C1)C(O)=O)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12	C1009
O=C(ON1C(CCC1=O)=O)C(C=C2)=CC(C(O)=O)=C2C(C3=CC=C(O)C=C3O4)=C5C4=CC(C=C5)=O	C0015
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)N=C=S)C1=C(O2)C=C(OC(C)=O)C=C1	F0006
NC(C(F)=CN1)=NC1=O	F0077
OCC(C=C1)=CC2=C1C3(OC2=O)C4=C(C=C(OC(C)=O)C=C4)OC5=CC(OC(C)=O)=CC=C53	H0145
OC(=O)C1=CC(=CC=C1C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C(Br)C(O)=C(Br)C=C12)N1C(=O)C=CC1=O	M0013
OC(=O)C1=CC=C(C(=C1)C([O-])=O)C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C3CCCN4CCCC(C=C12)=C34	C0004
[O-]C(=O)c1cc(ccc1-c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78)C(=O)ON9C(=O)CCC9=O	C0019
OC1=CC2=C(C(C3=CC=C(C(NCCCCCC(ON4C(CCC4=O)=O)=O)=O)C=C3C(O)=O)=C(C=C5)C(O2)=CC5=O)C=C1	F0035
OC1=CC2=C(C(C3=CC=C(C(NCCCCCC(ON4C(CCC4=O)=O)=O)=O)C=C3C(O)=O)=C(C=C5)C(O2)=CC5=O)C=C1	F0035
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C([O-])=O)C(O)=O)=[N+](C)C)=C1	C0055
CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC=C(C=C3C([O-])=O)N=C=S)=C2C=C1)N(C)C	T0034
CC(C=C1)=CC=C1NC2=CC3=C(C=C2)C=C(S(=O)([O-])=O)C=C3.[Na+]	T0071
CCOC1=CC2=C(C=C1OCC)C(=CC(=O)O2)C(F)(F)F	D0027
CCOC1=CC2=C(C=C1OCC)C(C)=CC(=O)O2	D0028
OC(=O)CC1=CC(=O)OC2=C1C=C(O)C(O)=C2	D0029
COC1=CC2=C(C=C1OC)C(=CC(=O)O2)C(F)(F)F	D0033
COC1=CC2=C(C=C1OC)C(CC(O)=O)=CC(=O)O2	D0034
FC1=C2C(C(C)=CC(O2)=O)=CC(F)=C1OCC	D0164
FC1=C2C(C(C)=CC(O2)=O)=CC(F)=C1O	D0059
CN(C)C1=CC2OC3=CC(=CC=C3C3(OC(=O)C4=C3C=C(N)C=C4)C2C=C1)N(C)C	A0157
NC1=CC=C2C(SC(C3=N[C@@H](C(O)=O)C[Se]3)=N2)=C1	A0307
O=C(O1)C2=C(C=C(C(O)=O)C=C2)C31C4=C(C=C(OC(C)=O)C(Cl)=C4)OC5=CC(OC(C)=O)=C(Cl)C=C53	C0334
O=C(C1=C2C=C(C(ON3C(CCC3=O)=O)=O)C=C1)OC42C5=C(C(Cl)=C(O)C(OC)=C5)OC6=C(Cl)C(O)=C(OC)C=C64	C0098
OC1=CC=C2C(OC(C=C(O)C=C3)=C3C24OC(C5=C4C=C(C(ON6C(CCC6=O)=O)=O)C=C5)=O)=C1	C0017
O=C(C1=C2C=C(N=C=S)C=C1)OC32C4=C(C=C(O)C=C4)OC5=CC(O)=CC=C53	F0111
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(C=C3)N=C=S)C1=CC=C(OC(C)=O)C=C1O2	F0028
OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(NC(=O)CI)C=C3)C1=C(O2)C=C(O)C=C1	I0021
OC(=O)C1=CC=C(C([O-])=O)C(=C1)C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C3CCCN4CCCC(C=C12)=C34	C0084
[O-]C(=O)c1ccc(cc1-c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78)C(=O)ON9C(=O)CCC9=O	C0090
OC1=CC2=C(C(C3=CC=CC(C(NCCCCCC(ON4C(CCC4=O)=O)=O)=O)=C3C(O)=O)=C(C=C5)C(O2)=CC5=O)C=C1	F0048
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC(=CC=C2C([O-])=O)C(=O)ON2C(=O)CCC2=O)=[N+](C)C)=C1	C0058
CC(C)(C)C(=O)OC1=CC2=C(C=C1Cl)C1(OC(=O)C3=C1C(Cl)=C(C=C3Cl)C(O)=O)C1=CC(Cl)=C(OC(=O)C(C)(C)C)C=C1O2	C0186
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC(=CC=C2C([O-])=O)N=C=S)=[N+](C)C)=C1	T0035
O=C(CC1)NC2=C1C=CC(OCCCCBr)=C2	B0697
CCN(CC)C1=CC2=C(C=C1)C(C)=C(C(=O)O2)C1=CC=C(C=C1)N=C=S	D1035
CCN(CC)C1=CC=C2C=C(C(=O)N3C=CN=C3)C(=O)OC2=C1	D0071
CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO	D1014
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)NN)C(=O)O2	D0035
O=C1C=C(C(F)(F)F)C2=C(C=C(OCC3=CC=CC=C3)C=C2)O1	B0299
C[C@@]1([C@]([C@H](C)CCCC(C)C)([H])CC2)[C@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC1	H0116
ClC1=CC=C(S(=O)(Cl)=O)C2=NON=C12	C0442
ClC1=CC=C(C2=NON=C12)N	C0942
O=S(=O)(N)C1=CC=C(Cl)C2=NON=C21	C0730
ClC1=CC=C(S(=O)([O-])=O)C2=NON=C21.[NH4+]	A0052
C[C@@]12[C@@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])=CC=C1C[C@@H](OC(C)=O)CC2)[H]	D1226
O=C1C(C2=CC=C(N)C=C2)=C(C)C3=CC=C(N(CC)CC)C=C3O1	A0718
CCN(CC)C1=CC2=C(C=C1)C(C(O)=O)=C(C(O)=O)C(=O)O2	D0039
O=C1OC2=CC(N(CC)CC)=CC=C2C=C1C([H])=O	D0517
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)ON1C(=O)CCC1=O)C(=O)O2	D0037
CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F	E0003
NS(=O)(=O)C1=CC=C(F)C2=NON=C12	F0016
CC1=CC(=O)NC2=C1C=CC(O)=C2	H0010
CC1=C(C(OC2=C1C=CC(O)=C2)=O)CC(O)=O	H0032
OC1=CC=C2C(OC(C(C(O)=O)=C2)=O)=C1	H0015
O=C1OC=2C=C(O)C=CC2C=C1C(=O)OC	H0928
COC1=CC2=C(C=C1)C=C(C(O)=O)C(=O)O2	M0016
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3(C)[C@@H](OC(CCC(O)=O)=O)C=C4C[C@@H](OC(CCC(O)=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C.NCCO	H0123
[Na+].[Na+].[Na+].CC(=O)OC1=CC(=C2C=CC3=C4C(C=CC1=C24)=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O	A0172
[Na+].[Na+].[Na+].CCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O	B0025
CN(C)S(=O)(=O)C1=CC(O)=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C	H0043
COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O	M0836
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	M0156
[Na+].[Na+].[Na+].CCCCCCCC(=O)Oc1cc(c2ccc3c(cc(c4ccc1c2c34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O	O0001
ClC1=CC=C(C(N)=C(C=C(OC)C=C2)C2=N3)C3=C1	A0099
O=C1N[C@@H]([C@H](NC(=O)C2=CC(=CC=C2)C(=O)N[C@@H]([C@H](NC(=O)C2=CC=CC1=C2)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1	A0209
CC(=O)NC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O	A0712
CN(C)C1=CC2=[N+](CCCCCCCCC)C3=CC(N(C)C)=CC=C3C=C2C=C1.[Br-]	A0103
CC(C)[C@@H]1NC(=O)[C@H](NC(=O)C2=CC=C(C)C3=C2N=C2C(O3)=C(C)C(=O)C=C2C(=O)N[C@@H]2[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]3CCCN3C(=O)[C@@H](NC2=O)C(C)C)[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2CCCN2C1=O	A0043
NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O	A0279
O=C(C(C1=O)=CC2=C(O1)C=C(N(CC)CC)C=C2)NC(CO)(CO)CO	D0169
[Cl-].[Cl-].[Cl-].[Cl-].CN(C)C(SCC1=CC2=C(C=C1)\C1=N\C3=C4C=C(CSC(N(C)C)=[N+](C)C)C=CC4=C4\N=C5/N=C(/N=C6\N([Cu]N34)\C(=N/C2=N1)C1=C6C=C(CSC(N(C)C)=[N+](C)C)C=C1)C1=C5C=C(CSC(N(C)C)=[N+](C)C)C=C1)=[N+](C)C	A0201
CC1=C(CC(=O)NCCCCCC(O)=O)C(=O)OC2=CC(N)=CC=C12	A0073
CC1=C(CC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)C(=O)OC2=CC(N)=CC=C12	A0074
O=S(NC1=CC=C(Cl)C=C1C(OC)=O)(C(F)(F)F)=O	A0212
O[C@@H]1[C@@H](CN)O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](N)[C@H](O)[C@@H](CO)O3)[C@H](NC([C@H](CCN)O)=O)C[C@@H]2N)[C@H](O)[C@H]1O	A0287
C[C@H]1C[NH+](CC(C)CC2=CC=C(C(C)(C)CC)C=C2)C[C@@H](C)O1.[Cl-]	A0301
[I-].CC(=O)OC1=CC=C2C=CC=[N+](C)C2=C1	A0036
[Cl-].[H][C@@]1(C2CC3=C(C)C4=C(C(O)=CC=C4)C(O)=C3C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O)[NH+](C)C	A0197
[Na+].[Na+].[O-]C(=O)CCC1=C2C=CC=CC2=C(CCC([O-])=O)C2=CC=CC=C12	A0116
OC1=CC=C2C(C3=C(F)C(F)=C(F)C(F)=C3C4=O)(O4)C5=CC=C(O)C=C5OC2=C1	A0585
O=C(NC1=CC=C2N=CC=CC2=C1)ON1C(=O)CCC1=O	A0057
CC1=CSC(C(OC)=O)=C1NC(C(NCCC)C)=O.Cl	A0564
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O	A0575
CCN(CCO)C1=CC=C(\C=C\C2=CC=[N+](C)C=C2)C=C1.C1=CC=C(C=C1)[B-](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	E0006
O[C@H]1C[C@@]2(C)[C@]3([H])C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]5([H])C(C)(C)[C@@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]57[C@]3(C7)CC[C@]2(C)[C@H]1[C@]8(C)O[C@H](C(C)(O)C)CC8	A0577
Cl.NCCO\C=C\[C@H](N)C(O)=O	A0185
COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=C(C=NN2C)C2=NN(C)N=N2)=N1	A0203
O=C(OCC)CN(CC(OCC)=O)C1=C(OCCOC2=C(N(CC(OCC)=O)CC(OCC)=O)C=CC=C2)C=CC=C1	B0287
CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]	B0279
CC(=O)OCOC(=O)CCC1=CC2=C(OC3=CC(OCOC(C)=O)=C(CCC(=O)OCOC(C)=O)C=C3C22OC(=O)C3=C2C=CC(=C3)C(=O)OCOC(C)=O)C=C1OCOC(C)=O	C0003
CC(=O)OCOC(=O)CCC1=CC2=C(OC3=CC(OCOC(C)=O)=C(CCC(=O)OCOC(C)=O)C=C3C22OC(=O)C3=C2C=CC(=C3)C(=O)OCOC(C)=O)C=C1OCOC(C)=O	C0603
CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C1=NC2=CC=C(F)C=C2S1	B0243
C12=CC=CC=C1C=C3C(C4=CC=CC5=CC=CC3=C45)=C2	B0452
O[C@H]1[C@@H](OP(O)(O)=O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP([O-])(OP(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H]([N+]5=CC(C(N)=O)=CC=C5)O4)([O-])=O)=O.[Na+]	N0151
FC(F)(F)C(F)(F)C(F)(F)C(CC(C1=CC=C(C2=C(C3=CC=C(C(CC(C(F)(F)C(F)(F)C(F)(F)F)=O)=O)C=C3)C=CC=C2)C=C1)=O)=O	B0146
O=C(C(C)(O)CS(=O)(C1=CC=C(F)C=C1)=O)NC2=CC(C(F)(F)F)=C(C#N)C=C2	B0305
[H][C@]12CS[C@@H](CCCCC(=O)NCCC3=CC=C(O)C=C3)[C@@]1([H])NC(=O)N2	B0270
FC1=CC=C([I+]C2=CC=C(F)C=C2)C=C1.O=S([O-])(C(F)(F)F)=O	F0073
F[P-](F)(F)(F)(F)F.CC1=CC=C([I+]C2=CC=C(C)C=C2)C=C1	B0247
S=C1NN=C(NCNC2=NNC(=S)S2)S1	B0246
O=C(NC(C1=C(F)C=CC=C1F)=O)NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2Cl	B0125
O=S1(C2=CC=CC=C2C(C3=CC(Br)=C(O)C(Br)=C3C)(C4=C(C)C(Br)=C(O)C(Br)=C4)O1)=O	B0264
O=C1C(/C(CC)=N\OCC)=C(O)CC(C2=C(C)C=C(C)C(C(CCC)=O)=C2C)C1	B0730
O=C(NC1=CC=C(OC2=C3C=C(C(OC)=CC3=NC=C2)OC)C=C1)C4(C(NC5=CC=C(C=C5)F)=O)CC4	C0755
O=C(C1=C2C=CC=C1)OC32C4=C(C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C(OC(C)=O)C=C4)OC5=C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(OC(C)=O)=CC=C53	C0009
O=C1C=C(C2=CC=C(OC)C(O)=C2)OC3=CC(O)=CC=C31	C0642
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])C[C@]([H])(OC(=O)C3=CC=C(C=C3)C(=O)C(F)(F)F)[C@]12C)OC(=O)C1=CC=C(C=C1)C(=O)C(F)(F)F)[C@H](C)CCC(=O)N(CCCCCCCC)CCCCCCCC	C0131
CC(=O)ON1C(=O)CCC1=O.CC(=O)OC1=CC2=C(C=C1Cl)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Cl)=C(OC(C)=O)C=C1O2	C0059
O=C1C(CC2=CC=C(OC)C=C2)=NC3=CC=CC=C3N1CC[NH+](CC)CC.[Cl-]	C0258
OC(=O)C(=C\C1=CC2=C3N(CCCC3=C1)CCC2)\C#N	C0085
ClC1=C(OC2=CC=C([N+]([O-])=O)C=C2)C(Cl)=CC(Cl)=C1	C0233
C[C@H](CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CCC21C	C0359
CC(C)CCCC[C@H]1CCC2[C@]1(C)CCC1[C@@]2(C)CC=C2C[C@H](CC[C@]12C)OC(=O)C1=CC2=C(OC1=O)C=CC=C2	C0006
C[C@@]12[C@]3([H])[C@](CC=C1C[C@H](CC2)OC(CCC(O)=O)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCCC(C)C)C	C0828
C[N+](C)(CC1=CC=C(C(CC(CC)C2=CC=CC=C2)CC)C=C1)C.CCC(C)C.[Cl-]	C1086
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br	D0810
C1(/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1.[Cl-]	C0156
CC(C)CCCCCCC\C=C/C(O)=O	M0075
CCCCCCCCC\C=C/C(O)=O	D0293
S=C=N[Ru]12([N]3=CC=C(C(O)=O)C=C3C4=[N]1C=CC(C(O)=O)=C4)([N]5=CC=C(C(O)=O)C=C5C6=[N]2C=CC(C(O)=O)=C6)N=C=S	D0999
ClC1=CC=CC=C1[C@H]([NH+]2CCC(SC=C3)=C3C2)C(OC)=O.[O-]S(=O)(O)=O	D0505
O=C(C=C1)OC2=C1C(OC/C=C(C)/C)=C(C=CO3)C3=C2OC	C0727
O=C1C=C2C(=CC=C1OC)C3=C(OC)C(OC)=C(OC)C=C3CCC2NC	C0022
O=C(CSCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1	C0130
O=C([O-])[C@@H]([C@H](C([O-])=O)O)O.O.[Cu+2]	C0241
O=C(O[C@H]([C@H]1O)[C@H](O)[C@H](O[C@H]1OC(C2=CC(O)=C(O)C(O)=C2)=O)COC3=O)C4=CC(O)=C(O)C(O)=C4C5=C3C=C(O)C(O)=C5O	C0650
CC1CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O)C(O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])[C@H]1C	C0704
CCN(C1=CC=C(C=CC(O2)=O)C2=C1)CC	C0097
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C=C1C(O)=O	C0073
CCN(CC)C1=CC2=C(C=C1)C(C)=C(C(=O)O2)C1=CC=C(C=C1)N1C(=O)C=CC1=O	D0042
O.OC1OC(C(O)[C@H](O)C1O)C(O)=O	G0004
ClC1=NC=C(CN/C(NC([2H])([2H])[2H])=N/[N+]([O-])=O)S1	C0190
CN(C)CCNS(=O)(=O)C1=CC=C(NCCN)C2=NON=C12	D0204
CCN(CC)C1=CC=C2C=C(C(=O)OC2=C1)C1=CC=C(C=C1)C(=O)C#N	D0016
CN(C)C1=CC=C2C(OC(=O)C(N3C(=O)C=CC3=O)=C2C)=C1	D0047
NC1=CC2=C(C=C1N)C1(OC2=O)C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2	D0084
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(N)C(N)=C3)C1=CC=C(OC(C)=O)C=C1O2	D0085
OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C1NN=NC1=C3)C1=CC=C(O)C=C1O2	D0044
ClC1=C(OC(C)=O)C=C(OC(C=C(OC(C)=O)C(Cl)=C2)=C2C34OC(C5=C4C=C(N)C(N)=C5)=O)C3=C1	D0216
ClC1=CC2=C(C3=C(C([O-])=O)C(N=NN4)=C4C=C3)C5=C(C=C([O-])C(Cl)=C5)OC2=CC1=O	D0211
CNC1=C(N)C(C(O)=O)=C(C=C1)C1=C2C=C(F)C(=O)C=C2OC2=C1C=C(F)C(O)=C2	A0023
CNC1=C(N)C2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=C(F)C(OC(C)=O)=C3)C=C(OC(C)=O)C(F)=C2	A0024
NC1=CC2=CC=CC=C2C=C1N	D0062
CCN(CC)C1=CC2=[O+]C3=CC(N(CC)CC)=CC=C3C(C4=C(C([O-])=O)C(NN=N5)=C5C=C4)=C2C=C1	D0213
CN(C)C1=CC2=[O+]C(C=C(N(C)C)C=C3)=C3C(C4=CC=C(N)C(N)=C4C([O-])=O)=C2C=C1	D0276
CN(C)C1=CC2=[O+]C(C=C(N(C)C)C=C3)=C3C(C4=CC=C(NC)C(N)=C4C([O-])=O)=C2C=C1	D0206
CN(C)C1=CC2=[O+]C(C=C(N(C)C)C=C3)=C3C(C4=CC=C(N(C)N=N5)C5=C4C([O-])=O)=C2C=C1	D0220
CN(C)C1=CC2=[O+]C3=C(C=CC(=C3)N(C)C)C(C3=CC=C4NN=NC4=C3C([O-])=O)=C2C=C1	D0275
NC1=C(C([O-])=O)C(C2=C3C(C=C(N(CC)CC)C=C3)=[O+]C4=C2C=CC(N(CC)CC)=C4)=CC=C1NC	D0121
CN(N=N1)C(C1=C2C([O-])=O)=CC=C2C3=C4C(C=C(N(CC)CC)C=C4)=[O+]C5=C3C=CC(N(CC)CC)=C5	D0274
O=C(O)CCCCC[C@H]([C@H](C)N1)NC1=O	D0272
O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2(F)[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@@H](C)[C@]4(O)C(CO)=O)=C1	D0359
[Na+].[Na+].OC1=CC(O)=C2C=CC3=C4C(C=CC1=C24)=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O	D0078
ClC(=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=CC=C1)C1=CC=CC=C1	D0009
O=C(OCC1=CC=CC=C1)C2=CC=CC=C2C(C3=CC=C(OCC4=CC=CC=C4)C=C3O5)=C6C5=CC(C=C6)=O	D0282
ClC1=C(NC2=CC=CC=C2C=O)C(Cl)=CC=C1	D1228
ClC1=C(NC2=CC=CC=C2CO)C(Cl)=CC=C1	D1227
CC(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O	D0314
CC(C)CCCCCCC(OCC1=CC(OC)=C(O)C=C1)=O	D0419
CCN1C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=C1C=C(N)C=C2	D0094
C[N+]1=C(/C=C/C=C/C=C2N(C)C(C=CC=C3)=C3C\2(C)C)C(C)(C)C4=CC=CC=C41.[Cl-]	H0295
COP(=O)(OC)OC(=CCl)C1=CC=C(Cl)C=C1Cl	D0316
CN\C(NCC1CCOC1)=N/[N+]([O-])=O	D0309
C[C@H](CC1)CO[C@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O[C@H](O[C@@H]7CO)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C	D0195
CN(C)CCOC(C1=CC=C(C)C=C1)C2=CC=CC=C2.Cl	D1229
[O-][N+]([O-])=O.[I+](C1=CC=CC=C1)C1=CC=CC=C1	D0046
[O-]S(=O)(C(F)(F)F)=O.C1([I+]C2=CC=CC=C2)=CC=CC=C1	D0091
OCC(N)C(OC)=O.Cl	S0352
O=C(C1=C2C=CC=C1)C(OC)=C(OC)C2=O	D0205
O=C1C2=CC(OC)=C(OC)C=C2CC1CC3CCN(CC4=CC=CC=C4)CC3.Cl	D0437
COC1=C(OC)C=C2C(CN(C2=O)C2=CC=C(C=C2)N2C(=O)C=CC2=O)=C1	D0049
N[C@@H](C(O)=O)C[Se][Se]C[C@@H](N)C(O)=O	S0117
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)=CC3)C	E0233
OC1=C2C(C(C(C=C(O)C=C3O)=C3C2=O)=O)=CC(C)=C1	E0228
C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O	E0090
OC(=O)C1=C(C=CC(=C1)N=C=S)C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C1C=C(Br)C(O)=C2Br	E0013
FCC1CO1	E0243
[Cl-].[Cl-].NC1=CC2=C(C3=CC=CC=C3)[N+](CCCNCCNCCC[N+]3=C(C4=CC=CC=C4)C4=C(C=CC(N)=C4)C4=C3C=C(N)C=C4)=C3C=C(N)C=CC3=C2C=C1	E0012
CC(C1=CC=C(C2N=C(C3=C(F)C=CC=C3F)OC2)C(OCC)=C1)(C)C	E0064
OCCO[C@H]1[C@H](OC)C[C@H](C[C@@H](C)[C@H](CC([C@H](C)/C=C(C)/[C@@H](O)[C@H]2OC)=O)OC([C@@H]3CCCCN3C(C([C@@]4(O)[C@H](C)CC[C@@H](C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C2=O)O4)=O)=O)=O)CC1	E0574
C\C(=N\N=C1\NC(C)=CC(C)=N1)C1=CC=CC=C1C	F0081
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CCCC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=CC=C(OC(=O)CCC)C=C1O2	F0057
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CCn1cc(c(n1)C(=O)N2CCN(CC2)c3ccc(cc3)F)C	F0094
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O=C(O1)C2=C(C=CC=C2)C31C4=CC=C(O)C=C4OC5=C3C=CC(O)=C5.[Na].[Na]	F0363
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[O-][N+](=O)C1=CC(Cl)=C(NS(=O)(=O)C2=CC(=C(Cl)C=C2)C(F)(F)F)C=C1	F0082
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O=C(OCOC(C)=O)C1=CN=C(O1)C2=CC3=C(O2)C=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(OCCOC4=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=CC(C)=C4)=C3	F0395
OC(/C(CC/C=C(C)/C)=C1[C@@H](OC(C)=O)C[C@]2(C)[C@@]3(C)CC[C@@]4([H])[C@H](C)[C@H](O)CC[C@]4(C)[C@]3([H])[C@H](O)C[C@]2\1[H])=O	F0226
O=C(O[Na])/C(CC/C=C(C)/C)=C1[C@@H](OC(C)=O)C[C@]2(C)[C@@]3(C)CC[C@@]4([H])[C@H](C)[C@H](O)CC[C@]4(C)[C@]3([H])[C@H](O)C[C@]2\1[H]	F0118
O=C1C2=C(N(COC(CO)CO)C=N2)N=C(N)N1	G0046
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O=C1[C@@H](C)[C@]([C@](O1)([H])C2)(O)[C@]([C@]32[C@H]4C[C@@H](C(C)(C)C)[C@]53[C@H]6O)(C(O4)=O)O[C@]5([H])OC6=O	G0221
OC(C=C1)=CC=C1C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C=C3C2=O	G0136
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O[C@@H]1[C@H](O)[C@@H](COP(O)(OP(OP(O)([O-])=O)([O-])=O)=O)O[C@H]1N2C(N=C(N)NC3=O)=C3N=C2.[Na+].[Na+]	G0069
CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1	H0097
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C[N+]1=C(/C=C/C=C/C=C/C=C2N(C)C(C=CC=C3)=C3C/2(C)C)C(C)(C)C4=CC=CC=C41.[I-]	H0926
[O-]C(=O)C(F)(F)F.CSCC[C@H]([NH3+])C(=O)NC1=CC=C2C(C)=CC(=O)OC2=C1	M0113
C[NH+](C)C(C=C1)=CC=C1C(N2)=NC3=C2C=C(C4=NC5=C(C=C([NH+]6CC[NH+](C)CC6)C=C5)N4)C=C3.[Cl-].[Cl-].[Cl-]	B0448
OC1=C(/C=C/C2=CC=C(C([NH3+])=N)C=C2)C=CC(C([NH3+])=N)=C1.CS(=O)([O-])=O.CS(=O)([O-])=O	H0100
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C1O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O	H0298
OC(C(C)C1=CC=C(C([H])=O)C=C1)=O	I0303
CC1=CC(OCCOC2=CC(C3=CC(C=CC(C(OCOC(C)=O)=O)=C4)=C4N3)=CC=C2N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=C1	I0019
[K+].[K+].[K+].[K+].[K+].CC1=CC(OCCOC2=C(C=CC(=C2)C2=CC3=C(N2)C=C(C=C3)C([O-])=O)N(CC([O-])=O)CC([O-])=O)=C(C=C1)N(CC([O-])=O)CC([O-])=O	I0018
[Na+].[O-][N+](=O)C1=CC=C(N2N=C(N=[N+]2C2=CC=C(I)C=C2)C2=CC=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C(=C1)[N+]([O-])=O	I0004
OC1=NC=CC2=CC=CC=C21	I0197
C/C=C/C1=CC=C(OC(C)=O)C(OC)=C1	I0198
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1	I0048
CCOP(=S)(OCC)OC1=NOC(=C1)C1=CC=CC=C1	I0049
[I-].CCN1C(=C\C=C\C2=[N+](CC)C3=C(C=C(Cl)C(Cl)=C3)N2CC)N(CC)C2=C1C=C(Cl)C(Cl)=C2	T0046
O=C([H])[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C	F0158
O[C@@H]1[C@H](C/C=C\CCCC(OC(C)C)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1	L0069
CCCCCCCCCCCC(=O)C1=CC2=CC=C(C=C2C=C1)N(C)C	D0098
N[C@@H](CCO1)C1=O.Cl	H0281
CC(NC[C@H]1CN(C2=CC=C(N3CCOCC3)C(F)=C2)C(O1)=O)=O	L0031
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C[N+]1=C2C=CC=CC2=C(C2=CC=CC=C12)C1=C2C=CC=CC2=[N+](C)C2=C1C=CC=C2	D0068
O=C1C2=C(C(N)=CC=C2)C(NN1)=O	L0012
NC1=C2C(C(N([Na])NC2=O)=O)=CC=C1	L0014
CCN(CC1)CCN1CC2=CC=C(NC3=NC=C(F)C(C4=CC(F)=C(N=C(C)N5C(C)C)C5=C4)=N3)N=C2.CS(=O)(O)=O	L0303
C/C(C)=C/CC/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)/CC/C=C(C)/C	L0091
O[C@H]([C@H]1O)C=C2CCN3CC4=CC5=C(OCO5)C=C4[C@@]1([H])[C@]32[H].Cl	L0129
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](C2=C(O)C(C(C(C=C(O)C(O)=C3)=C3O4)=O)=C4C=C2O)O1	M0465
CC(C)(O1)[C@@H]1CC2=C(OC(CC3)=O)C3=CC=C2OC	M0512
O=C1OC2=C(C[C@@H](C(C)(O)C)O)C(OC)=CC=C2CC1	M0513
C1=CC=C(C=C1)C1=C2C3=C(C=CC=C3)C3=[N]2[Pd++]24[N-]5C1=C1C=CC=CC1=C5C(=C1C5=C(C=CC=C5)C(C(=C5[N-]2C(C2=C5C=CC=C2)=C3C2=CC=CC=C2)C2=CC=CC=C2)=[N]41)C1=CC=CC=C1	T0083
O=C(C(C1=CC=CC=C1)(C)C2)N(C)C2=O	M0153
O=C1OC2=C(C(CC(OC)=O)=C1)C=CC(OC)=C2	M0845
CCCCCCCCCCCCCCCCCCCCCC(=O)OC	M0330
CN(C(=O)NC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1	M0135
[H][C@@]12C(C=C[C@H](C)[C@]2([H])CC[C@@]3([H])OC(C[C@@](O)([H])C3)=O)=CCC[C@@H]1OC([C@@H](C)CC)=O	M0183
OC(CNC(CN)=O)C1=C(OC)C=CC(OC)=C1.Cl	M0238
NC(C1=CC=CC2=CN(C3=CC=C([C@H]4C[NH2+]CCC4)C=C3)N=C21)=O.CC5=CC=C(S(=O)([O-])=O)C=C5	M0565
CN(C)C(CSS(=O)([O-])=O)CSS(=O)([O-])=O.[Na+].[Na+]	M0164
COC1=CC=C(C=C1S(Cl)(=O)=O)N1CC2=CC=CC=C2C1=O	M0004
[Br-].CCOC(=O)C[N+]1=CC=CC2=CC(OC)=CC=C12	E0001
Cl.[H][C@]12CS[C@@H](CCCCC(=O)NCCN)[C@@]1([H])NC(=O)N2	A0191
[O-][N+](=O)C1=CC=C(NCCCBr)C2=NON=C12	B0268
CCCCCCCC(O)CC(=O)N[C@H]1CCOC1=O	H0079
O=C1[C@@H](NC(CC(O)CCCCCCC)=O)CCO1	H0086
CCCCCCCCCC(O)CC(=O)NC1CCOC1=O	H0081
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CCCCCC(O)CC(=O)N[C@@H]1CCOC1=O	H0078
O=C1[C@@H](NC(CC(O)CCCCC)=O)CCO1	H0206
CCCCCCCCCCCC(O)CC(=O)NC1CCOC1=O	H0044
O=C1OCC[C@H]1NC(CC(O)CCCCCCCCCCC)=O	H0088
[Br-].COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CC2=CC=CC(=C2)N=C=S)C=C1	I0022
[Br-].COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCCN=C=S)C=C1	I0036
[H][C@@]1(CCOC1=O)NC(=O)CC(C)=O	O0037
OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)N1C(=O)C=CC1=O)C1=C(O2)C=C(O)C=C1	F0004
CN(C)C1=CC=C([N+]([O-])=O)C2=NON=C12	D0834
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CC(NC1=CC=C(S(NC2=CC(OC)=NC(OC)=N2)(=O)=O)C=C1)=O	A0298
O=C(C1=C2C=CC=C1)N(N)C32C4=CC=C(O)C=C4OC5=C3C=CC(O)=C5	A0936
O=C(NC1=C(OC)C=CC=C1)C2=CC3=CC(Br)=CC=C3C=C2O	N0239
BrC1=CC=C(C=C(OP([O-])([O-])=O)C(C(NC2=C(OC)C=CC=C2)=O)=C3)C3=C1.O.[Na+].[Na+]	N0244
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O=C1CCC(N1OC(CCCCCCCCCCCNC2=CC=C([N+]([O-])=O)C3=NON=C32)=O)=O	N0147
OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+]([O-])=O	N0013
[O-][N+](=O)C1=CC=C(F)C2=NON=C12	F0017
CN(N)C1=CC=C(C2=NON=C12)[N+]([O-])=O	M0005
[O-][N+](=O)C1=CC=C(N2CCNCC2)C2=NON=C12	N0014
OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+]([O-])=O	N0005
O=C(ON1C(CCC1=O)=O)CCCCCNC2=CC=C([N+]([O-])=O)C3=NON=C32	N0045
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCC(=O)O	N0250
CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCC(O)=O	T0100
CN(C)C1=C(C=CC=C2S(=O)(NCCN)=O)C2=CC=C1	C0068
COC1=CC=C(C=C1O)CCC(C2=C(C=C(C=C2O)O[C@@H]([C@@H]3O[C@@H]([C@@H]4O)O[C@H]([C@@H]([C@H]4O)O)C)O[C@@H]([C@H]([C@@H]3O)O)CO)O)=O	N0157
O=C1C2=CC(CCCC)=C(OCC3=CC=CC=C3)C=C2NC=C1C(OC)=O	N0674
ClC1=C(/C=C/C2=[N+](CCCCS(=O)(O[Na])=O)C3=C(C(C=CC=C4)=C4C=C3)C2(C)C)CCC/C1=C\C=C5N(CCCCS(=O)([O-])=O)C(C=CC6=C7C=CC=C6)=C7C/5(C)C	N0516
CCN(CC)C1=CC=C2N=C3C(OC2=C1)=CC(=O)C1=C3C=CC=C1	N0107
CC1=C2[C@](CC1C3=COC=C3)([H])O[C@]([C@]2(C)[C@@H]4CC(OC)=O)([H])[C@@]5([H])C6[C@]4(C)C(C=C[C@@]6(C)C(O5)=O)=O	N0360
O=S([O-])(CCCC[N+]1=C(/C=C/C2=C(/C(CCC2)=C/C=C3N(CCCCS(=O)(O)=O)C4=C(C/3(C)C)C=CC=C4)SC5=CC=C(C=C5)N)C(C)(C)C6=C1C=CC=C6)=O.[Na]	I0173
[Na+].CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS([O-])(=O)=O)C4=CC=CC=C4C3(C)C)=C2SC2=CC=C(C=C2)N=C=S)N(CCCCS([O-])(=O)=O)C2=C1C=CC=C2	N0008
O=NN1CCOCC1	N0370
FC(OC(F)(F)F)C(F)(F)OC1=CC=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl	N0069
CN(C)C(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=C1C=CC(OCC(O)=O)=C2	D0201
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[Cl-]	O0014
CCCCCCC(=O)OC1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1	O0006
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COP(=O)(OC)C(=[N+]=[N-])C(C)=O	D0502
O=C1NC2=CC=CC=C2/C1=C/C3=C(C)C(CCC(O)=O)=C(C)N3	O0202
OC1=CC(O)=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	O0035
O=C(/C=C/C1=CC=C(CN2C=NC=C2)C=C1)O	O0141
O=C(CC)NS(=O)(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)=O	P0167
COC1=CC2=C(OC(C3=C(C(O)=O)C=C(C(O)=O)C=C3)=C2)C=C1N4CCOCCOCCN(C5=CC(OC(C6=C(C(O)=O)C=C(C(O)=O)C=C6)=C7)=C7C=C5OC)CCOCCOCC4	P0662
O=C(C1=CN(C)N=C1C(F)(F)F)NC2=C(C(C)CC(C)C)SC=C2	P0166
O=C1N(C(/C=C/C2=CC(OC)=C(OC)C(OC)=C2)=O)CCC=C1	P0921
CC(C)C(OC)=O	P0018
CC(C)C(OC)=O	P0013
CC(C)C(OC)=O	P0016
CC(C)C(OC)=O	P0014
CCCCCCCCCCCCC(C)(COC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCOCCOCCOCCO2)COC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCOCCOCCOCCO4	P0235
CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl	P0414
C[N+](CC)(CCC[N+](C1=C2C=CC(N)=C1)=C(C3=C2C=CC(N)=C3)C4=CC=CC=C4)CC.[I-].[I-]	P0523
O=C1C(C2=CC=C(O)C=C2)=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=CC=C31	P0250
N#CC1=C(N(C)CC#C)N(C2=NN3CCCCC3=C2Cl)N=C1	P0179
CN1C(OC(F)F)=C(Cl)C(C2=C(F)C=C(Cl)C(OCC(OCC)=O)=C2)=N1	P0169
S=C(OC1=CC=CC(C(C)(C)C)=C1)N(C2=NC(OC)=CC=C2)C	P0129
ClC1=C(C(O[Na])=O)C(SC2=NC(OC)=CC(OC)=N2)=CC=C1	P0131
ClC1=NC(=NC(Cl)=N1)C1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3	D0050
C[C@H](CO)C([O-])=O.[Na+]	H0291
OC([C@H](C)CN)=O	A0148
O=C(C=C1)C=C2C1=NC3=CC=C(O)C=C3O2	R0058
O=C1C=C2OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3N=C2C=C1	R0006
O=C(OCOC(C)=O)CN(CC(OCOC(C)=O)=O)C1=C(C=C(C=C1)C2=C3C=C/C(C=C3OC4=CC(N(C)C)=CC=C24)=[N+](C)/C)OCCOC5=C(C=CC(C)=C5)N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O.[Br-]	A0072
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[NH2+]C1=CC2=C(C=C1C)C(C1=CC=CC(=C1)C(=O)NCCNCC[NH3+])=C1C=C(C)\C(C=C1O2)=N/CC	R0025
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[NH2+]C1=CC2=C(C=C1C)C(=C1C=C(C)\C(C=C1O2)=N/CC)C1=C(C=CC=C1)C(=O)NCCOCCOCC[NH3+]	R0023
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[NH2+]C1=CC2=C(C=C1C)C(C1=C(C=CC=C1)C(=O)NCC1=CC=C(C[NH3+])C=C1)=C1C=C(C)\C(C=C1O2)=N/CC	R0024
CCN(CC)C1=CC2=C(C=C1)C3(C(C=CC=C4)=C4C(N3N)=O)C5=CC=C(N(CC)CC)C=C5O2	R0178
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C=CC=C1)C1=C2C=CC(C=C2OC2=CC(=CC=C12)N(CC)CC)=[N+](CC)CC	O0022
"""C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]"	B0671
C[S+](C[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)CC[C@H](N)C([O-])=O	A0247
OC(C=C1)=CC=C1CCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO	S0092
OC1=C2C(C[C@]3([H])C(C2=O)=C(O)[C@@]4(O)[C@@]([C@H](N(C)C)C(O)=C(C(N)=O)C4=O)([H])C3)=CC=C1	S0344
C[N+]1=CC2=C(C=CC3=C2OCO3)C4=C1C5=CC(OCO6)=C6C=C5C=C4.[Cl-]	S0377
CNCC(OC)=O.Cl	S0379
OC([C@@H](C)CN)=O	A0147
O[C@@H]1[C@@H](OC)C[C@@](O[C@](C(C)/C=C/C=C(CO2)/[C@@](C2/C(C(C)=C3)=N\O)(O)[C@]3([H])C4=O)([H])/C(C)=C/C[C@]5([H])C[C@@](O4)([H])C[C@]6(CC[C@H](C)[C@](C7CCCCC7)([H])O6)O5)([H])O[C@H]1C	S0051
O=C(C1=C([Si](C)(C)C)SC(C)=C1C)NCC=C	S0049
[F-][P+5]([F-])([F-])([F-])([F-])[F-].[Ag+]	S0375
[H][C@]1([C@@H](CCC(NCC(O[Na])=O)=O)C)CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C	G0033
[Na+].CC1=CC=C(C=C1)[B-](C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1	S0032
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@@H]3C2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C	S0044
O=C(C[C@]1([H])C2=C[C@]3([H])[C@]1([H])C=C[C@@]4([H])[C@@]3([H])C[C@H](O[C@]5([H])O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C4)O[C@@H](CC)CCC[C@H](O[C@]6([H])O[C@H](C)[C@@H](N(C)C)CC6)[C@@H](C)C2=O	S0293
O=S(CCC[N+]1=CC=CC2=CC(OC)=CC=C21)([O-])=O	M0051
ONC1=CC=C(S(=O)(NC2=NOC(C)=C2)=O)C=C1	S0056
CC1=C(/C=C2C(NC3=C\2C=C(F)C=C3)=O)NC(C)=C1C(NCCN(CC)CC)=O.O[C@H](C(O)=O)CC(O)=O	S0330
O=C1N(C)N=NC2=C(C(N)=O)N=CN21	T0072
CN(C/C=C/C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C21.Cl	T0207
Br[Br-]Br.CCCC[N+](CCCC)(CCCC)CCCC	T0602
CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.ClC1=CC=C([B-](C2=CC=C(Cl)C=C2)(C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4)C=C1	T0543
C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	T0492
CN(C)C1=CC=C2C(OC(C3=C2C4=C(C(OC)=O)C=CC=C4)=C/C(C=C3)=[N+](C)/C)=C1.O=Cl(=O)([O-])=O	T0012
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC(=CC=C2C([O-])=O)N2C(=O)C=CC2=O)=[N+](C)C)=C1	T0030
O=C(C=C(C1=CC=C(OC)C=C1)O2)C3=C2C=C(OC)C(OC)=C3OC	M0514
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]	T0474
CN1COCN(CC2=CN=C(Cl)S2)/C1=N\[N+]([O-])=O	T0114
ClC1=NC=C(S1)CN2COCN(C([2H])([2H])[2H])/C2=N/[N+]([O-])=O	T0142
COC1=C2C(C([C@@H](NC(C)=O)CCC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)=C1OC)=C4)=CC=C(SC)C4=O	T0175
ClC(C=C1)=CC2=C1C(NCCCCCCC([O-])=O)C(C=CC=C3)=C3N(C)S2(=O)=O.[Na+]	T0456
C[N+](C)(C)C(C=C1)=CC=C1/C=C/C=C/C=C/C2=CC=CC=C2.CC3=CC=C(S([O-])(=O)=O)C=C3	T0043
O=C(NCC1=CC=C(C=C1)OC(C=C2)=CC=C2C)C3=C(Cl)C(CC)=NN3C	T0122
CC(C)CCCCCCC/C=C/C(O)=O	D0791
CCCCCCC/C=C/C(O)=O	D0300
CC(C)(C)C1=NN(C(N(C)C)=O)C(SCC(OCC)=O)=N1	T0123
CN=C=S.CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2C([O-])=O)=[N+](C)C)=C1	T0011
O=S(NC1=CC(OC)=CC2=CC=CN=C21)(C3=CC=C(C)C=C3)=O	M0065
O=C1CCC2=C3[C@@]([C@@](CC[C@]4(OC(C)=O)C(C)=O)([H])[C@]4(C)C[C@]3([H])C5=CC=C(N(C)C)C=C5)([H])CCC2=C1	U0027
CC(C)(C)C(O)/C(N1N=CN=C1)=C\C2=CC=C(Cl)C=C2	U0002
O=S(O)(O)=O.O[C@@]1(C(OC)=O)[C@]2([H])N(C([H])=O)C3=C(C=C([C@@](C(OC)=O)(C[C@@H](C[C@]4(CC)O)C[N@@](C4)CC5)C6=C5C(C=CC=C7)=C7N6)C(OC)=C3)[C@]28[C@@]([C@](C=CC9)(CC)[C@H]1OC(C)=O)([H])N9CC8	V0014
COC1=CC2=C(C=C1)C(C1=CC=CC=C1C(=O)N1CCC(CC1)C(O)=O)=C1C=CC(=O)C=C1O2	M0071
OC1=C(C(/C=C/C2=CC=C(O)C=C2)=O)C(OC)=CC(O)=C1C/C=C(C)/C	X0005
O=C1NC2=C(N1CCC(NC(C)C)C3O)C3=CC=C2.[H]Cl	Z0025
O=C1C(F)=CC2=C(C3=CC=C(NCC(OCOC(C)=O)=O)C(OCCOC4=CC(OC)=CC=C4N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C3)C5=CC(F)=C(OCOC(C)=O)C=C5OC2=C1	F0019
OC1=C(CN(CC2=CC=CC=N2)CC2=NC=CC=C2)C2=C(C=C1Cl)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Cl)=C(O)C(CN(CC3=CC=CC=N3)CC3=NC=CC=C3)=C1O2	Z0001
OC1=CC2=C(C=C1F)C1(OC(=O)C3=C1C=CC(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)=C3)C1=CC(F)=C(O)C=C1O2	Z0009
CC(=O)OC1=CC2=C(C=C1F)C1(OC(=O)C3=C1C=CC(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)=C3)C1=CC(F)=C(OC(C)=O)C=C1O2	Z0011
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)C=C3)C1=CC=C(OC(C)=O)C=C1O2	Z0008
OC1=CC2=C(C=C1F)C1(OC(=O)C3=C1C=CC(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)=C3)C1=CC(F)=C(O)C=C1O2	Z0010
CC(=O)OC1=CC2=C(C=C1F)C1(OC(=O)C3=C1C=C(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)C=C3)C1=CC(F)=C(OC(C)=O)C=C1O2	Z0012
ClCC(C(CC)(C)NC(C1=CC(Cl)=C(C)C(Cl)=C1)=O)=O	Z0015