C[N+]1(C)[C@@]([C@@]2([H])C(C=CC3=C4OCO3)=C4C(O2)=O)([H])C5=CC6=C(OCO6)C=C5CC1.[I-]	B0240
C[C@@]1(C(O)=O)C(C)(C)[C@H](C(O)=O)CC1	C0144
OC1=CC(O)=C(C[C@@H](O)[C@@H](C2=CC=C(O)C(O)=C2)O3)C3=C1	E0231
OC1=C(C[C@@H](OC(C2=CC(O)=C(O)C(O)=C2)=O)[C@@H](C3=CC=C(O)C(O)=C3)O4)C4=CC(O)=C1	E0181
O[C@H]1[C@@H](C2=CC(O)=C(O)C(O)=C2)OC3=CC(O)=CC(O)=C3C1	E0182
OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(C4=CC(O)=C(O)C(O)=C4)=O)=CC(O)=C1O	E0128
OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(C4=CC(O)=C(O)C(O)=C4)=O)=CC(O)=C1O	G0197
C/C=C1[C@@H]2CC3=C(C=CC(N3)=O)[C@@]/1(N)CC(C)=C2	H0208
[H][C@]1(OC(=O)C2=C1C=CC1=C2OCO1)[C@@]1([H])N(C)CCC2=CC3=C(OCO3)C=C12	B0239
C1CC(=O)N(C1=O)OC(=O)CCCCC2C3C(CS2)NC(=O)N3	B0145
CC(=C)[C@H]1CC=C(C)C(=O)C1	C0169
C(C(OC)=O)(C)C1=CC2=C(C=C(OC)C=C2)C=C1	N0557
C([N+](C)(C)C)C(CC(O)=O)O.[Cl-]	C1078
CC(O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O	H0117
OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)CC2=O)=C1	N0206
O=C(O[K])C(O)(C)CC(O[K])=O.O	P0157
OC(CNC(C)C)COC1=CC=CC2=CC=CC=C21.Cl	P0483
O.[Na+].CC(C)(O)C(O)C([O-])=O	S0055
CN(CCC1=CC(OC)=C(OC)C=C1)CCCC(C(C)C)(C#N)C2=CC(OC)=C(OC)C=C2.Cl	V0007
OCCC1=CC[C@]2([H])C(C)(C)[C@@]1([H])C2	N0658
O=C1[C@@H](Br)[C@H]2CC[C@]1(CS(=O)(O)=O)C2(C)C.O	B0135
O[C@@H]([C@@H]1O)[C@H]2C(O[C@@H]1O[C@@H]([C@H]3O)C(O[C@@H]([C@H]3O)O[C@H]4[C@@H]([C@@H]([C@H](OC4COCC(O)C)O[C@@H]([C@@H]5O)C(O[C@@H]([C@H]5O)O[C@@H]6C(C([C@@H](O[C@@H]6COCC(O)C)O[C@@H]7C(C([C@@H](O[C@@H]7COCC(O)C)O[C@@H]([C@H]8O)C(O[C@@H]([C@H]8O)O2)COCC(	H0352
O=C(C(F)(F)F)OI(OC(C(F)(F)F)=O)C1=CC=CC=C1	T0620
CC(C)(C)OC(N[C@H](C(O)=O)CSSC[C@@H](C(O)=O)NC(OC(C)(C)C)=O)=O	B0224
C[C@@]1(O)CCOC(=O)C1	M0662
C[C@@H](CO)C1=CC=CC=C1	P0385
[H]C#CC(C)OS(=O)(=O)C1=CC=C(C)C=C1	M0137
C[C@@H](CC/C1=C(C)/C)CC1=O	P0508
N[C@H]1CCC2=C1C=CC=C2	A0181
O=C1CC[C@@H](C(O)=O)O1	O0227
C[C@H](C(O)=O)C1=CC2=CC=C(OC)C=C2C=C1	N0061
O=C(O)C(C1=CC=C2C(Cl)=C(OC)C=CC2=C1)C	N0271
CO[C@H](C(O)=O)C1=CC2=CC=CC=C2C=C1	M0213
COC[C@H](O)[C@@H](O)COC	D0434
O=C(O)[C@H](CC(O)=O)NCCN[C@@H](CC(O)=O)C(O)=O	E0096
OC(C[C@@H](C(O[Na])=O)NCCN[C@H](C(O[Na])=O)CC(O[Na])=O)=O	E0016
C(CO)N1CCCC1	H0504
[Br-].S=C=NCC[N+]1=CC=C(C=C1)C1=CN=C(O1)C1=CC2=C(CCCO2)C=C1	I0035
[Br-].COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCN=C=S)C=C1	I0032
CN1C=NC2=C1C(=O)N(CCCC(O)=O)C(=O)N2C	C0311
[Br-].S=C=NC1=CC(C[N+]2=CC=C(C=C2)C2=CN=C(O2)C2=CC=C3OCCCC3=C2)=CC=C1	I0034
CN(C1=C2N(C)C=N1)C(N(CCCCC(O)=O)C2=O)=O	C0312
CCCC\C=C\I	I0047
CCCCCC\C=C\I	I0037
N1N=NC2=CC3=CC=CC=C3C=C12	N0051
CC(C)(C)C(=O)CC(=O)C(F)(F)F	T0630
CC1=[N+](CCCCS([O-])(=O)=O)C2=C(C3=C(C=CC=C3)C=C2)C1(C)C	T0061
O.N=1C=CC=C2C=CC=3C=CC=NC3C12	P0147
C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1	B0127
O=C(N1CCCC1)N2CCCC2	C0780
CCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.[I-]	D0224
CCCC[N+]1=C(/C=C/C=C/C=C/C=C2N(CCCC)C(C=CC=C3)=C3C/2(C)C)C(C)(C)C4=CC=CC=C41.F[P-](F)(F)(F)(F)F	D0806
CCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[I-]	D1114
CCN\1C2=CC=CC=C2C(/C1=C/C=C/C=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[I-]	D1115
CN1C=2C(C(C)(C)C1=CC=CC=3C(C)(C)C=4C([N+]3C)=CC=CC4)=CC=CC2.[I-]	D1024
C(CC)N1C=2C(C(C)(C)C1=CC=CC3=[N+](CCC)C=4C(C3(C)C)=CC=CC4)=CC=CC2.[I-]	D0227
CCCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCC)(C)C.[I-]	D0924
FC(F)(F)S([N-]S(C(F)(F)F)(=O)=O)(=O)=O.CCN(CC)C1=C(N(CC)CC)/C1=[N+](CC)/CC	T0091
CCN(CC)C1=C(N(CC)CC)[C+]1N(CC)CC.N#C[N-]C#N	T0089
C1Cc2ccccc2C=C1	D1139
CCC1=CC(CC)=CC(CC)=C1	T0951
O=S(C1=C(C=C2)C3=C(C(S(=O)(O[Na])=O)=C1)C=CC4=C(S(=O)(O[Na])=O)C=C(S(=O)(O[Na])=O)C2=C43)(O[Na])=O.O	P0021
OC(CC(CC(O)=O)=O)=O	Y0346
C(CON)CON.Cl.Cl	A0193
C1CC=CC=C1	C0259
O=C(C(N(C)C(N1)=O)=C1N2)N(C)C2=O	D0295
CC1=CC=C(C=C1)S([O-])(=O)=O.COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCOC2=CC=C(C=C2)N=C=S)C=C1	I0033
[O-]S(=O)(=O)C(F)(F)F.COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCN2C(=O)C=CC2=O)C=C1	M0080
CN(C)C1=CC=C(/C=C/C=C/C=C/C2=CC=CC=C2)C=C1	D0342
CC(N1C2=CC=CC=C2SC3=CC=CC=C31)=O	A0695
O=C(OC1=CC=C2C(OC3=CC(OC(=O)C)=CC=C3N2C(=O)C)=C1)C	A0324
[Br-].CCCCCCCCCCCCCCCCCC[N+]1=C2C=C(C=CC2=CC2=CC=C(C=C12)N(C)C)N(C)C	O0018
OCCCCCCCCCCCBr	B0626
OC(=O)CCCCCCCCCCCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34	P0006
C1OCCOCCOCCOCCOCCOC1	C0143
OC12C[C@H](C3)C[C@@H](C2)C[C@H]3C1	A0811
CCCCCCCCCCCBr	B0116
Cl[I]1OC(=O)C2=CC=CC=C12	C0135
CC1(C)O[I](Cl)C2=CC=CC=C12	C0136
CN(C)C1=CC=[N+](C#N)C=C1.FB(F)F.[F]	C0235
C1=CC=[NH+]C=C1.[O-][I]1(=O)OC(=O)C2=CC=CC=C12	H0104
CC(C)C(O)c1ccc(cc1)C(C)C(O)=O	H0943
ICCCCCCCCCCCCCCCCCC	Y0436
C=C/C=C/OC	M0649
OP(OC1=CC=CC2=CC=CC=C21)(O)=O	P0741
CCC(C)(C)C1=NC(P(C2=CC=CC=C2)C3=CC=CC=C3)=CC=C1	D0916
N#CC(OCC1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1	N0052
O[C@@H]1[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC2=CC(OC(C=C3C)=O)=C3C=C2)(C(O[Na])=O)C1.O	M0096
ClCC1=C(C(O)=O)C=CC=C1	C0307
CC1=CC=C(C=C1)S(=O)(=O)OC1CCCCC1=O	T0131
S(SC1=CC=CC=N1)C2=CC=CC=N2	Y1024
[K+].[K+].[H]O[H].[H]O[H].[H]O[H].[O-]C(=O)c1cc(nc2ccccc12)-c3cc(C([O-])=O)c4ccccc4n3	B0719
CC1(C)CCCC1=O	D0333
CC1=[N+](CCCCS([O-])(=O)=O)C2=C(C=CC=C2)C1(C)C	T0042
CC1=NC2=CC=CC=C2C1(C)C	T0080
BrC1=CN=C(N)C(N)=C1	D0829
Oc1cc2ccccc2cc1O	D0892
OC1=C(Cl)C=C(Cl)C(Cl)=C1	T0112
IC1=C(C(O)=O)C(I)=CC(I)=C1	T0095
FC(F)(F)C1=NC(C(F)(F)F)=NC(C(F)(F)F)=N1	T0479
FC1=C(O)C=CC(F)=C1O	D0329
NC1=CC=C(C=C1)C1=NN=C(O1)C1=CC=C(N)C=C1	B0219
NC1=CC(C(F)(F)F)=CC=C1C(F)(F)F	B0453
[O-]C1=CC=C(/N=C2C=C(C(C(Cl)=C\2)=O)Cl)C=C1.O.[Na+]	D1204
O=C(C1=C2C=CC=C1)OC32C4=C(C=C(O)C(Cl)=C4)OC5=CC(O)=C(Cl)C=C53	D0004
ClC1=C(OC(C)=O)C=C2C(C(C3=CC=CC=C3C(O)=O)C(C=C(Cl)C(OC(C)=O)=C4)=C4O2)=C1	D0064
CC(=O)NC1=NNC(=S)S1	A0756
BrC1CCCCCC1=O	B0101
BrC1CCCCC1=O	B0249
NCCC1=CC=CC=C1Br	B0605
OCC(Cl)CO	C0752
ClCC1=CN=C(Cl)S1	C0232
ClC1=CC=CC=CC1=O	C0181
O[C@H]1C(F)C(O)[C@H](O)[C@@H](CO)O1	F0076
OCC1COCCOCCOCCO1	H0514
O=C1C(C2=CC=CC=C2)=COC1(C3=CC=CC=C3)OC	M0242
CCCCCCCCCCCCOC1=C([N+]([O-])=O)C=CC=C1	N0277
OC1COC(OC1)C2=CC=CC=C2	P0938
CC(C(Cl)=O)C1=CC=CC=C1	P0136
CCN(CC)C1=CC=C2C=C(C3=NC4=C(S3)C=CC=C4)C(=O)OC2=C1	B0003
CC(C)(C)C1=CC=[N+](CCCS([O-])(=O)=O)C=C1	B0109
NCCC[Si](OCC)(OCC)C	D1335
SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	T0478
CCN1/C(OC2=CC=CC=C12)=C\C=C\C3=[N+](CC)C4=CC=CC=C4O3.[I-]	D0180
C(C)N1C=2C(OC1=CC3=[N+](CC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]	D0804
CCN1C2=C(C=CC=C2)S/C1=C\C=C\C3=[N+](CC)C4=C(C=CC=C4)S3.[I-]	D0447
CCN1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](CC)C4=CC=CC=C4S3.[I-]	D0114
C(CCCCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCCCC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]	D0994
C[N+]=1C=2C(OC1C=CC=C3N(C)C=4C(O3)=CC=CC4)=CC=CC2.[I-]	D0805
C(CCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]	D0128
[I-].O1C=2C=CC=CC2N(C1=CC=CC=CC=3OC=4C=CC=CC4[N+]3CCC)CCC	D0438
[I-].CCCN1\C(SC2=C1C=CC=C2)=C/C=C/C1=[N+](CCC)C2=C(S1)C=CC=C2	D0007
CC1=NN=C(C)C(C)=C1C	T0027
OC1=C(O)C=CC(C[C@H](N)C(O)=O)=C1	D0465
C1CC2OC2C=C1	E0058
C(=O)C1=CC(Cl)=CC(Cl)=C1O	D1064
COc1cc(O)cc(OC)c1	D0897
[H]C(C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1)=O	B0473
[Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=C1C=C(N)C=C2	D0065
NC1=CC2=C(C(C=CC(N)=C3)=C3N=C2C4=CC=CC=C4)C=C1	D0436
BrC1=CC=C(OC(C(C(C)=O)=C2)=O)C2=C1	A0649
C(C)(=O)C1=CC=2C(=CC(N(CC)CC)=CC2)OC1=O	A0046
C#CC(O)C	B0123
O=C1OC2=C(C=CC(O)=C2)C(C)=C1Cl	C0351
O=C1C(C#N)=CC2=CC=C(C=C2O1)N(CC)CC	C0734
OC1=CC=C2C=C(C#N)C(=O)OC2=C1	C0007
FC1=C(C(OC2=O)=O)C2=CC=C1	F0148
O=C1[C@@H](NC(CC(O)CCC)=O)CCO1	H0084
O=C1C(NC(CC(O)CCC)=O)CCO1	H0082
O=C1[C@@H](NC(CC(O)CCC)=O)CCO1	H0083
CCC(O)CC(NC1C(OCC1)=O)=O	H0312
CN1C2=NC=NC2=C(N)N=C1	M0203
O=C1C2=CC=CC=C2C3=CC=C(N4CCOCC4)C5=C3C1=CC=C5	M0034
OC1=CC=C2C(OC(C=C(OC)C=C3)=C3C24OC(C5=C4C=CC=C5)=O)=C1	M0098
N#CC#CC1=CC=CC=C1	P0135
CN(C)C1=CC=C(C=C1)\N=N\C1=CC=C(C=C1)C(=O)ON1C(=O)CCC1=O	D0236
O=N(=O)C1=CC=C(C2=NON=C21)N3CCOCC3	M0721
BrCC1=CC=C(C=C1)N=C=S	B0091
FC(F)(F)C(=O)C1=CC=C(C=C1)C(Cl)=O	T0082
BrCC1=CC=C(C=C1)C1=CC=C(CBr)C=C1	B0128
[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1\C=C\C1=CC=C(C=C1S([O-])(=O)=O)N=[N+]=[N-])N=[N+]=[N-]	D0022
CC1=CC=NC(C2=NC=CC(C)=C2)=C1	B0213
NC1=CC(C)=C(C)C=C1[N+]([O-])=O	D0170
BrC1=CC=C(Br)C2=NSN=C21	D1026
C=CC1=CC=C(OC(C)=O)C=C1	A0708
OC(CCCN)=O	G0043
O=[N+]([O-])C1=CC=C(NCC2=CC=CC=C2)C3=NON=C31	B0070
BrC1=CC=C2C3=C(C(OC2=O)=O)C=CC=C31	B0425
BrC1=CC=C([N+2]#N)C=C1.FB([F-])F.[F-]	B0531
O=C1OC2=CC(OC)=CC=C2C(CBr)=C1	B0022
ClCC1=CC=C(C=C1)C#N	C0313
N#C\C(=C/c1cc2CCCN3CCCc(c1)c23)C#N	D0113
[H]C(=O)\C=C\C1=CC=C(C=C1)N(C)C	D0310
OC1=CC=C(F)C(O)=C1	F0047
O=[N+](C1=CC=C(NN)C2=NON=C21)[O-]	H0022
OC1=CC=C(CC(C(O)=O)=O)C=C1	H0013
[C-]#[N+]C1=CC=C(OC)C=C1	M0730
CC1=CC(=O)OC2=C1C=CC(=C2)O	M0007
CC1=CC(=O)OC2=C1C=CC(=C2)[O-].[Na+]	M0577
CCCC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2	M0011
CCCCCCC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2	O0007
CCCCCCCC\C=C/CCCCCCCC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2	M0086
O=C1OC2=CC(OC(CCCCCCCCCCCCCCC)=O)=CC=C2C(C)=C1	P0038
CC(C1=CC=C(OP([O-])([O-])=O)C=C1O2)=CC2=O.[Na+].[Na+]	M0012
O[C@H]1[C@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O[C@H](CO)[C@H](O)[C@@H]1O	M0225
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)=O)O[C@H]1OC2=CC(OC(C=C3C)=O)=C3C=C2	M0076
O[C@H]1[C@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	M0099
O=C1OC(C2=CC([N+]([O-])=O)=CC=C21)=O	N0062
O[C@H](CC1)CC[C@@H]1NC(NS(C(C=C2)=CC=C2CCNC(C3=C(C=CC(Cl)=C3)OC)=O)(=O)=O)=O	H0027
CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C)C4=C(C=C(C=C4)N)C(=O)O	A0250
OC(C(F)=C1)=CC2=C1C3(C(C=CC=C4)=C4C(O3)=O)C5=CC(F)=C(O)C=C5O2.CC(O)=O	C0262
CC(O)=O.CC(=O)OC1=CC2=C(C=C1Cl)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Cl)=C(OC(C)=O)C=C1O2	C0042
OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc5cc(O)ccc5c4Oc6c3ccc7cc(O)ccc67.OC(=O)c8ccc9C(=O)OC%10(c%11ccc%12cc(O)ccc%12c%11Oc%13c%10ccc%14cc(O)ccc%13%14)c9c8	C0047
C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O	C0045
OC1=CC=C2C(OC(C3=C2C4=C(C(O)=O)C=CC=C4)=CC(C=C3)=O)=C1.CC(ON5C(CCC5=O)=O)=O	C0011
CN=C=S.OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1	F0010
CN=C=S.CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=CC=C(OC(C)=O)C=C1O2	F0029
CC(O)=O.[O-]C(=O)C1=CC=CC=C1C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C3CCCN4CCCC(C=C12)=C34	C0012
CC(=O)ON1C(=O)CCC1=O.[O-]C(=O)C1=CC=CC=C1C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C3CCCN4CCCC(C=C12)=C34	C0013
OC1=CC2=C(C(C3=CC=CC=C3C(O)=O)=C(C=C4)C(O2)=CC4=O)C=C1.O=C(C)NCCCCCC(O)=O	F0015
O=C(C1=C2C=CC=C1)OC32C4=C(C=C(O)C=C4)OC5=CC(O)=CC=C53.CC(NCCCCCC(ON6C(CCC6=O)=O)=O)=O	F0044
O=C1C=C2OC3=CC(O)=CC=C3C(C4=C(C(O)=O)C=C(NC(CCCCCCCCCCCCCCCCC)=O)C=C4)=C2C=C1	O0013
O=C(OCOC(C)=O)CN(CC(OCOC(C)=O)=O)C1=CC=C(F)C=C1OCCOC2=CC(F)=CC=C2N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O	B0445
O=C(NC(S/1)=S)C1=C/C2=CC=C(CC)C=C2	E0533
CCCOC1=CC=C(/C=C2SC(NC\2=O)=O)C=C1	P0110
NC1=CC2=C(C=C1)C1(OC2=O)C2=CC(Br)=C(O)C(Br)=C2OC2=C1C=C(Br)C(O)=C2Br	A0055
NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12	A0018
NC1=CC=C(C2=C1)C3(OC2=O)C4=CC=C(OC(C)=O)C=C4OC5=CC(OC(C)=O)=CC=C53	A0318
[NH3+]CC(CCC(O)=O)=O.[Cl-]	A0364
O=C(O)C1=CN=CC(N)=C1	A0309
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC(N)=NC2=O)O1	A0271
BrCCCC=C	B0624
O[C@H]1C[C@H](N2C=C(Br)C(NC2=O)=O)O[C@@H]1CO	B0301
O=C(C1=CC(Br)=CN=C1)O	B0248
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)C(O)=O)C1=CC=C(OC(C)=O)C=C1O2	C0039
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)C(=O)ON1C(=O)CCC1=O)C1=CC=C(OC(C)=O)C=C1O2	C0094
O=C1OC2(C3=C(C=C(O)C=C3)OC4=CC(O)=CC=C24)C5=C1C=C(NC(CCCCCCCCCCC)=O)C=C5	D0162
OC(=O)C1=CC=C(C(=C1)C(O)=O)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12	C0014
OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(=C3)N=C=S)C1=C(O2)C=C(O)C=C1	F0011
O=C1OC2=CC(OC)=CC(OC/C=C(CC/C=C(C)\C)\C)=C2C=C1	G0228
O=C1OC2(C3=C(C=C(O)C=C3)OC4=CC(O)=CC=C24)C5=C1C=C(NC(CCCCCCCCCCCCCCC)=O)C=C5	H0028
OC1=CC=C(NC2=C(Cl)C=CC=C2Cl)C(CC(O)=O)=C1	H0053
OC1=CC=C(NC=C2CC(N)C(O)=O)C2=C1	H0049
OC1=C(O)C(OC)=CC(/C=C/C(O)=O)=C1	D0915
OC1=CC=C(NC=C2C[C@H](N)C(O)=O)C2=C1	H0160
OC1=CN=CC(C(O)=O)=C1	H0052
COC1=CC2=C(C=C1)[N+](CCCCS([O-])(=O)=O)=C(C)C2(C)C	M0049
CCCCC(O)CCCC	N0066
OC1=CC2=C(C(C3=CC=C(C(NCCCCCC(O)=O)=O)C=C3C(O)=O)=C(C=C4)C(O2)=CC4=O)C=C1	F0036
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C([O-])=O)C(=O)ON2C(=O)CCC2=O)=[N+](C)C)=C1	C0057
CC(=O)NC1=CC=C2C(=O)N(CC(O)=O)C(=O)C3=C2C1=CC=C3	A0038
CN(C)C1=C2NC=NC2=NC=N1	D0318
OS(C1=CC(C=CC(NC2=CC=C(C)C=C2)=C3)=C3C=C1)(=O)=O	T0008
FC1=C2C(C=C(C(O)=O)C(O2)=O)=CC(F)=C1O	D0079
NC1=CC=C(N=C(C2=NC(C(O)=O)CS2)S3)C3=C1	A0094
C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)N)C(=O)O	A0306
NC1=CC=C2C(=O)OC3(C2=C1)C1=CC=C(O)C=C1OC1=CC(O)=CC=C31	A0019
NC1=CC=C(N=C(C2=N[C@H](C(O)=O)CS2)S3)C3=C1	A0932
O=C(C1=CC(C2(C3=C(OC4=C2C=C(OC)C(O)=C4Cl)C(Cl)=C(O)C(OC)=C3)O5)=C(C=C1)C5=O)O	C0687
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(C=C3)C(O)=O)C1=CC=C(OC(C)=O)C=C1O2	C0040
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(C=C3)C(=O)ON1C(=O)CCC1=O)C1=CC=C(OC(C)=O)C=C1O2	C0095
COC1=CC2=C(OC3=CC=CC=C3)C3=CC=C(Cl)C=C3N=C2C=C1	C0178
ClC1=C2C(NC=N2)=NC=N1	C0684
OC(=O)C1=CC=C(C(O)=O)C(=C1)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12	C0016
CC(C)(C)C(=O)OC1=C(Cl)C2=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(Cl)=C1O2	C0187
OC1=CC=C2C(SC(C#N)=N2)=C1	C0263
OC1=CC2=C(C(C3=CC=CC(C(NCCCCCC(O)=O)=O)=C3C(O)=O)=C(C=C4)C(O2)=CC4=O)C=C1	F0037
O=C1C=CC2=CC=C(OCCC3CO3)C=C2O1	O0046
O=C1C=CC2=CC=C(OC3CCCC3=O)C=C2O1	O0047
O=C1OC=2C=C(OCOCC=3C=CC=CC3)C=CC2C(=C1)C(F)(F)F	B0733
CC1=CC(=O)OC2=C1C=CC(N)=C2	A0021
NC1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1	A0029
O=C1C=C(C)C2=CC=C(N=[N+]=[N-])C=C2O1	A0069
O[C@H](C1)CC[C@@]2(C)C1=CC=C3[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCCC(C)C)C	D0331
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCN3C(=O)C=CC3=O	D0198
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)NCCCN1C(=O)C=CC1=O)C(=O)O2	D0199
CC(C1=CC=C(N(CC)CC)C=C1O2)=CC2=O	D0124
O=C1C(C(OCC)=O)=CC2=CC=C(N(CC)CC)C=C2O1	D0126
CCN(CC)C1=CC2=C(C=C1)C=C(C(O)=O)C(=O)O2	D0036
O=C1C=C(C)C2=CC=C(N(C)C)C=C2O1	D0711
CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2	E0004
CCOc1ccc2C=CC(=O)Oc2c1	E0252
FC1=CC=C(S(=O)(Cl)=O)C2=NON=C21	F0577
OC1=CC=C2C(OC(C=C2CC(O)=O)=O)=C1	H0008
COC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F	M0015
COC1=CC2=C(C=C1)C(CC(=O)ON1C(=O)CCC1=O)=CC(=O)O2	M0019
COC1=CC2=C(C=C1)C(C)=CC(=O)O2	M0046
COC1=CC2=C(C=C1)C=C(C(=O)N=[N+]=[N-])C(=O)O2	M0018
COC1=CC2=C(C=C1)C=C(C(=O)ON1C(=O)CCC1=O)C(=O)O2	M0017
O=C1OC2=CC(OC)=CC=C2C(CC(O)=O)=C1	M0028
O=C1OC2=CC(C)=CC=C2C=C1	M0116
NC(NC1=C2N(C)C=N1)=NC2=O	M0082
NC=1C2=C(C=C(OC)C1)C=CC=N2	A0655
O=C(N1C)C2=C(NC(Cl)=N2)N(C)C1=O	C0153
OC1=C2C3=C(CCCN3CCC2)C=C1	H0025
[H]C(C1=CC2=C(C3=C1O)N(CCC3)CCC2)=O	H0021
OCCCCCCCCC1=CC=CC=C1	P0130
OCC1C2=C(C=CC=C2)N(C(N)=O)C3=CC=CC=C31	H0118
OC(CCC1=C2C(C=CC=C2)=C(CCC(O)=O)C3=CC=CC=C31)=O	A0578
OC(=O)C(CC1=C2C=CC=CC2=C(CC(C(O)=O)C(O)=O)C2=CC=CC=C12)C(O)=O	A0183
ClCC1=C2C(C=CC=C2)=C(CCl)C3=CC=CC=C31	B0132
[H]C(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12	A0180
O=C1C2=C(N(C)C=N2)N=C(N)N1	M0095
C(C)N1+W2:Y46C=2C(SC1=NN=C3N(CC)C=4C(S3)=CC(S(=O)(=O)O)=CC4)=CC(S(=O)(=O)O)=CC2.N	A0591
[Li+].[K+].CC(=O)OP([O-])([O-])=O	A0781
C[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	A0192
O=S([O-])(C1=CC(/N=N/C2=CC=C(NC3=CC=CC=C3)C=C2)=CC=C1)=O.[Na+]	M0849
Cl[Zn]Cl.CN(C)C1=CC=C2C(N=C(C=C(N(C)C)C=C3)C3=C2)=C1.Cl	A0668
CN(C)C1=CC=C2C(N=C(C=C(N(C)C)C=C3)C3=C2)=C1.[H]Cl	A0005
CN(C)C1=CC=C2C(N=C(C=C(N(C)C)C=C3)C3=C2)=C1.[H]Cl	A0669
NC1=NC=NC2=C1N=CN2	A0083
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	A0657
[H][C@]12CN3CCC4=C(NC5=C4C=CC=C5)[C@]3([H])C[C@]1([H])C(=CO[C@H]2C)C(=O)OC	A0214
[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	A0001
CC(C)(C=NOC(=O)NC)SC	A0320
CC(S(=O)(C)=O)(C)/C=N/OC(NC)=O	A0476
OC1=C2C(C(C(C=C(CO)C=C3O)=C3C2=O)=O)=CC=C1	A0658
OC1=C2C([C@@]([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)([H])C(C=C(CO)C=C4O)=C4C2=O)=CC=C1	A0527
OC1=CC=C(/C(C2=CC=CC=C2)=C3C=CC(C4=C/3C=CC=C4)=O)C5=C1C=CC=C5	N0116
OC1=CC=C(/C(C2=CC=C(O)C(C([O-])=O)=C2)=C3C=C(C([O-])=O)C(C=C/3)=O)C=C1C([O-])=O.[NH4+].[NH4+].[NH4+]	A0293
CC1=C(CC(O)=O)C(=O)OC2=C1C=CC(N)=C2	A0009
CC1=C(CC(=O)ON2C(=O)CCC2=O)C(=O)OC2=CC(N)=CC=C12	A0010
O=C(N1N=C(C(C)C)N(N)C1=O)NC(C)(C)C	A0259
OS(O)(=O)=O.OS(O)(=O)=O.O[C@@H]([C@@H]([C@H]1N)O[C@H]([C@@H]([C@H]2O)O)O[C@H](CN)[C@H]2O)[C@H]([C@@H](C1)N([H])C([C@H](CCN)O)=O)O[C@H]([C@@H]([C@H]3N)O)O[C@H](CO)[C@H]3O	A0286
IC1=C(OCCN(CC)CC)C(I)=CC(C(C2=C(CCCC)OC3=C2C=CC=C3)=O)=C1.Cl	A0797
O=S(N1N=C(S(=O)(N2C(C)=C(Br)C3=C2C=C(F)C=C3)=O)N=C1)(N(C)C)=O	A0262
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	A0569
O=C1[C@@H](NC([C@H](N)C2=CC=CC=C2)=O)[C@]3([H])N1[C@@H](C([O-])=O)C(C)(C)S3.[Na+]	A0313
CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(C(C)(C)C#N)=C1	A0802
C=C1CC[C@@]([C@@](CO)(C)[C@H](O)CC2)([H])[C@]2(C)[C@@H]1C/C=C3C(OC[C@H]/3O)=O	A0576
OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2	D0308
F[Sb](F)F	A0988
NC1=C2C(C=C(S(=O)([O-])=O)C=C2S(=O)([O-])=O)=CC(S(=O)(O)=O)=C1.[Na+].[Na+]	A0071
OC1=C2C(OC(C3=CC=C(O)C=C3)=CC2=O)=CC(O)=C1	A0438
O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2=CC(OC(C3=CC=C(O)C=C3)=CC4=O)=C4C(O)=C2)[C@@H]1O	A0568
O=C1C2=C(C(C(N)=O)=NN2C3=CC=C(OC)C=C3)CCN1C4=CC=C(N5CCCCC5=O)C=C4	A0692
O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@@H]1O	A0402
OC1=C2C(C=C(S(=O)(O)=O)C(/N=N/C3=C([As](O)(O)=O)C=CC=C3)=C2O)=CC(S(=O)(O)=O)=C1/N=N/C4=C([As](O)(O)=O)C=CC=C4	A0308
OC1=C(O)C(O[C@@]1([H])[C@H](COC(CCCCCCCCCCCCCCC)=O)O)=O	A0534
S=P(SCN1C(SC(OC)=N1)=O)(OCC)OCC	A0265
O=C(Cl)CCCCCCCC(Cl)=O	A0732
n/a	A0221
OC(C=CC=C1)=C1/C=N/C2=CC(S(=O)(O)=O)=CC3=CC(S(=O)([O-])=O)=CC(O)=C23.[Na+].O	A0149
CNC(CCC1)CN1C2=C(F)C=C3C(N(C4CC4)C=C(C(O)=O)C3=O)=C2OC	B0302
O=C(O)CN(CC(O)=O)C1=C(OCCOC2=C(N(CC(O)=O)CC(O)=O)C=CC=C2)C=CC=C1	B0217
CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C	B0285
CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl	F0102
OC(=O)CCC1=CC2=C(OC3=CC(O)=C(CCC(O)=O)C=C3C22OC(=O)C3=C2C=CC(=C3)C(O)=O)C=C1O.OC(=O)CCC1=CC2=C(OC3=CC(O)=C(CCC(O)=O)C=C3C22OC(=O)C3=C2C=C(C=C3)C(O)=O)C=C1O	C0002
BrC1=CC=C(NC=C2OP([O-])(O)=O)C2=C1Cl.[NH3+]C3=CC=C(C)C=C3	B0024
CC(O1)(C)OC2=C1C=CC=C2OC(NC)=O	B0346
[NH3+]CC1=CC=CC=C1.[Cl-]	B0604
CC[N]1=C(Br)C=CC=C1.FB(F)F.[F-]	B0040
COC1=C(OC)C=CC2=CC(C3=CC4=C(OCO4)C=C3CC5)=[N+]5C=C12.[Cl-]	B0212
C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O	C0261
O[C@H]1C(N2C=NC3=C2N=CN=C3N)O[C@H](COP(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)[C@H]1O	N0222
O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC[C@@H](CC)C(C)C	S0270
O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC[C@@]4([H])[C@@]3(C)CC[C@]5(C(O)=O)[C@]4([H])[C@H](C(C)=C)CC5)([H])C1(C)C	B0402
FC(F)(F)C(F)(F)C(F)(F)C(=O)CC(=O)C1=CC=C(C=C1)C1=C(C=C(C=C1)S(Cl)(=O)=O)C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F	H0041
CC(C)OC(NNC1=C(OC)C=CC(C2=CC=CC=C2)=C1)=O	B0122
O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCC2=CC=CC=C2)[C@H]1C/C=C\CCCC(NCC)=O	P0325
[H][C@]12CS[C@@H](CCCCC(NCCCCC(N)C(O)=O)=O)[C@@]1([H])NC(N2)=O	B0412
O=C1N[C@@H]2[C@@H]([C@H](CCCCC(O)=O)S(C2)(=O)=O)N1	B0606
O=C1C=C2OC3=CC(O)=CC=C3C(C4=C(C(O)=O)C=C(C(NCCNC(CCCC[C@H]5[C@](NC(N6)=O)([H])[C@]6([H])CS5)=O)=O)C=C4)=C2C=C1	B0078
O=C(NCCCCCC(O)=O)CCCC[C@@H]1SC[C@@]2([H])[C@]1([H])NC(N2)=O	B0143
O=C(CCCCC1SCC2NC(=O)NC12)NCCCCCC(=O)ON1C(=O)CCC1=O	B0139
O=C(O)CCCCCNC(CCCCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O)=O	B0632
BrC1=CC=C(C=C1)[I+]C(C=C2)=CC=C2Br.FC(F)(F)S([O-])(=O)=O	B0225
F[B-](F)(F)F.IC1=CC=C([I+]C2=CC=C(I)C=C2)C=C1	I0053
CC(C)(C)C1=CC=C([I+]C2=CC=C(C(C)(C)C)C=C2)C=C1.F[P-](F)(F)([F+2])(F)F	T0106
FC(F)(F)S(NS(C(F)(F)F)(=O)=O)(=O)=O.[LiH]	L0010
CC(C1=CC=C(OCC(O)CCl)C=C1)(C)C2=CC=C(OCC(O)CCl)C=C2	B0726
CN1CCN(C2CCN(C3=CC=C(NC4=NC(NC5=CC=CC=C5P(C)(C)=O)=C(Cl)C=N4)C(OC)=C3)CC2)CC1	B0374
O=S(C1=CC2=C(S1)S(N(CCCOC)C[C@@H]2NCC)(=O)=O)(N)=O	B0424
O=C(C(Br)C(C)(C)C)NC(C)(C)C1=CC=CC=C1	B0124
BrC1=C(O)C(C)=CC(C(OS2(=O)=O)(C3=CC(C)=C(O)C(Br)=C3)C4=C2C=CC=C4)=C1	B0055
CC(OCBr)=O	B0074
O=S1(OC(C2=C(C)C(Br)=C(O)C(C(C)C)=C2)(C3=C(C)C(Br)=C(O)C(C(C)C)=C3)C4=C1C=CC=C4)=O	B0049
FC(F)(F)C(=O)CC(=O)C1=CC=C(C=C1)C1=C(C=C(C=C1)S(Cl)(=O)=O)C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F	B0062
CCCCN1CCCCC1C(NC2=C(C)C=CC=C2C)=O.Cl.O	B0326
CNC(O/N=C(C)/C(C)SC)=O	B0300
O=C1C(/C(CC)=N\OCC)=C(O)CC(C2=C(C)C=C(C)C(C(CCC)=O)=C2C)C1	B0126
O[C@@H](CC(O)=O)C(O)=O.COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2	C0698
OC1=C(O)C=CC(/C=C/C(O)=O)=C1	C0024
O=C1C=C(C)C(C=CC(O)=C2CN(CC(O)=O)CC(O)=O)=C2O1	C0681
OCC(C)(C)[C@@H](O)C(NCCC([O-])=O)=O.[Ca+2]	C0657
C[C@]12[C@](C(OC2=O)=O)(C)[C@@H]3CC[C@H]1O3	C0643
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC	C0941
NC(OCC[N+](C)(C)C)=O.[Cl-]	C0306
ClC1=CC=C(SCSP(OCC)(OCC)=S)C=C1	C0683
C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl	C0043
O=C(C1=C(OC)C=C(O)C=C1O)/C=C/C2=CC=CC=C2	C0697
O=C1N(CCN(CC)CC)C2=C(C=CC=C2)N=C1CC3=CC=C(OC)C=C3	C0260
OC(C)=O.O=C([C@H]([C@@H](CCN)O)NC([C@H]([C@@H]([C@H](C(C=C1)=CC=C1O)O)O)NC([C@H](C2)N(C[C@@H]2O)C([C@H]([C@@H](C)O)NC([C@@H](NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)C3)=O)=O)=O)=O)N4[C@@](C(N[C@@H]([C@@H]3O)NCCN)=O)([H])[C@@H](O)CC4.O=C(C)O	C0267
O=C1[C@@H](NC(/C(C2=CSC(N)=N2)=N/OC)=O)[C@]3([H])N1C(C(O)=O)=C(COC)CS3	C0361
O[C@]1(C(O)=O)CC(OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@H](O)[C@@H](O)C1	C0703
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C	C0249
C([N+](C)(C)C)CO.[Cl-]	C0381
OC1=C(C(O)=CC(S(=O)([O-])=O)=C2)C2=CC(S(=O)([O-])=O)=C1.O.O.[Na+].[Na+]	C0231
O=C(NCCN(CC)CC)C1=CC(OCCCC)=NC2=CC=CC=C21	C0694
ClC/C=C\CCl	C0779
CCCCCCC\C=C/C(O)=O	D0249
Cl[Pt]([NH3])(Cl)[NH3]	C0320
O=C1[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC([C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](C)(OC)C2)[C@H](C)[C@@H](O[C@H]3[C@H](O)[C@@H]([N+](C)([O-])C)C[C@@H](C)O3)[C@](C)(OC)C[C@H]1C)=O	C0310
O[C@H]1[C@@H](SC)O[C@]([H])([C@@H]([C@H](C)Cl)NC([C@]2([H])C[C@@H](CCC)CN2C)=O)[C@H](O)[C@@H]1O.Cl	C0324
Cl/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)\C3=CC=C(OCCN(CC)CC)C=C3.OC(CC(O)=O)(C(O)=O)CC(O)=O	C0696
C/C(C)=C/COC1=C2C(OC(C=C2)=O)=C(OC/C=C(C)/C)C3=C1C=CO3	C0728
O=C(C(OC)=C1OC)C(C/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(CC/C=C(C)/CC/C=C(CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C)\C)\C)=C(C)C1=O	C0661
COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1	C0032
[H][C@@]1(CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCC1=CC=C(C=C1)\N=N\C1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(O)=O	C0079
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1=CC=C(C=C1)\N=N\C1=CC=CC=C1)C(O)=O	C0174
OC1=CC(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1OC	C0706
OC[C@@H]1C[C@@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2)O1	C0339
O=C1C(Cl)=C(C)C2=CC=C(OP(OCC)(OCC)=S)C=C2O1	C0350
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C(C(F)(F)F)=C1	C0054
CCN(CC)C1=CC=C2C(OC(C(C3=NC4=C(C=CC=C4)N3)=C2)=O)=C1	C0071
O=C1OC2=CC=CC=C2C=C1C(O)=O	C0357
O=C1C=CC2=CC(S(=O)(Cl)=O)=CC=C2O1	C0029
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C(C)=C1	C0096
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C=C1C(OCC)=O	C0076
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C=C1C(C)=O	C0075
O=S1(C2=C(C(C3=CC(C)=C(O)C=C3)(C4=CC=C(O)C(C)=C4)O1)C=CC=C2)=O	C0062
NC1=NC=C(C2=CN(C3CCNCC3)N=C2)C=C1O[C@H](C)C4=C(Cl)C(F)=CC=C4Cl	C0699
CN(C)C1=CC=C(/C(C2=CC=C(N(C)C)C=C2)=C3C=C/C(C=C/3)=[N+](C)/C)C=C1.[Cl-]	C0252
O=C(N(C1)[C@@]2([H])N3CN4[C@@]5([H])N1C(N(CN6[C@]7([H])N8C(N(C9)[C@]7([H])N(C%10)C6=O)=O)[C@@]5([H])N(C8)C4=O)=O)N(CN%11[C@@]%12([H])N%13C(N(C%14)[C@@]%12([H])N(CN%15[C@@]%16([H])N%14C(N(C%17)[C@@]%16([H])N(CN%18[C@@]%19([H])N%17C(N9[C@@]%19([H])N%10C%18=	C0239
OC1=CC=C(/C=C/C(CC(/C=C/C2=CC(OC)=C(O)C=C2)=O)=O)C=C1OC	C0158
COP(=S)(OC)Oc1ccc(cc1)C#N	C0604
O[C@H]1C[C@@]2(C)[C@]3([H])C[C@H](O)[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]45[C@]3(C5)CC[C@]2(C)[C@H]1[C@]6(C)O[C@H](C(C)(O)C)CC6	C0592
CC[C@H]1C(N(C)CC(N(C)[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](CC(C)C)C(N(C)[C@@H](C(C)C)C(N(C)[C@@H]([C@H](O)[C@@H](C/C=C/C)C)C(N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O	C0365
C[Si]1(C)O[Si](O)(C)O[Si](C)(C)O1	C0753
O=C(N/C(C1=C(F)C(F)=CC=C1C(F)(F)F)=N\OCC2CC2)CC3=CC=CC=C3	C0230
C([C@H]([C@H]([C@@H](C=O)O)O)O)O	A0200
O=C([H])[C@@H]([C@@H]([C@@H](CO)O)O)O	R0065
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CC=CC=C2CO)O1	S0001
O[C@@H]1[C@H](O)C(CO)(O)OC[C@H]1O	T0101
[Na+].OC1OC(C(O)[C@H](O)C1O)C([O-])=O	G0007
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O1.O	M0226
OCC1OC(O)C(O)[C@H](O)[C@@H]1O	M0020
O.OC[C@H]1OC(CO)(OC2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H](OC2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H]1O	M0021
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@@]3(CO)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)O1	R0082
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O1.O.O	T0202
O[C@H]1[C@H](O)COC(O)[C@@H]1O	X0013
O=C1C(C2=CC=C(O)C=C2)=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C31	D0926
CN(C)C1=C(C=CC=C2S(=O)(Cl)=O)C2=CC=C1	D0043
CN(C)C1=C(C=CC=C2S(=O)(F)=O)C2=CC=C1	D0241
CN(C)c1cccc2c(cccc12)S(=O)(=O)NN	D0179
O=S(C1=CC=CC2=C(N(C)C)C=CC=C21)(N)=O	D0956
CN(C)C1=C(C=CC=C2S(NCCCCCN)(=O)=O)C2=CC=C1	D0189
NC(C1=CC=C2C(NC(C3=CC=C(C(N)=N)C=C3)=C2)=C1)=N.Cl.Cl	D0025
NC(C1=CC=C2C(NC(C3=CC=C(C(N)=N)C=C3)=C2)=C1)=N.Cl.Cl	D1217
CCN(CC)c1ccc2c(Oc3cc(ccc3C24OC(=O)c5c(N)c(N)ccc45)N(CC)CC)c1	D0101
CCN(CC)C1=CC2=C(C=C1)C1(OC(=O)C3=C1C=C(N)C(N)=C3)C1=CC=C(C=C1O2)N(CC)CC	D0102
CC/[N+](CC)=C1C=C2OC3=CC(N(CC)CC)=CC=C3C(C4=C(C([O-])=O)C=C(NN=N5)C5=C4)=C2C=C/1	D0214
O=C(O)[C@H](N)CC(O)=O	A0326
OC(CCCC[C@H]1[C@](N2)([H])[C@](NC2=O)([H])CS1)=O	B0148
O=C(OC1=CC=C([N+]([O-])=O)C=C1)CCCC[C@@H]2SC[C@@]3([H])[C@]2([H])NC(N3)=O	B0307
CC(OC1=C(Cl)C=C2C(OC3=CC(OC(C)=O)=C(Cl)C=C3C24OC(C5=C4C=CC=C5)=O)=C1)=O	D0063
O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	D0798
CCN(CC)C1=CC2=C(C=C1)C(C)=C(C(=O)O2)C1=CC=C(NC(=O)CI)C=C1	D0090
O=C1NOC[C@H]1N	D0356
O[C@H]1C[C@H](N2C(N=C(N)N=C2)=O)O[C@@H]1CO	A0563
O=C(O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)[C@H]3C(C)(C)[C@H]3/C=C(Br)/Br	D0619
OC1=CC=C(/C=C/C(CC(/C=C/C2=CC=C(O)C(OC)=C2)=O)=O)C=C1	D0929
O[C@H]([C@@H](O)C([O-])=O)C(O)=O.COC1=C(OC)C(OC)=C2C(CC[C@H]([NH3+])C3=CC(=O)C(OC)=CC=C23)=C1	D0270
CC1=C(C)C([C@@H](C2=CN=C[NH2+]2)C)=CC=C1.[Cl-]	D0792
[Na+].[Na+].[Na+].O[C@H]1[C@H](O)C(O)(COP(O)([O-])=O)O[C@@H]1COP([O-])([O-])=O	F0218
[Na+].[Na+].OC[C@@]1(O)O[C@H](COP([O-])([O-])=O)C(O)[C@H]1O	F0212
O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)O1	G0020
C1(CNCC2=CC=CC=N2)=CC=CC=N1	B0134
O=C(NCCN(CC)CC)C1=CC(OCCCC)=NC2=CC=CC=C21.Cl	C0693
ClC1=C(Cl)C(=O)c2ccccc2C1=O	D0641
Cl[Zr]Cl.c12c(C=CC=C2)c(CCc3c(C=CC=C4)c4cc3)cc1	D1086
Cl[Ru]12([N]3=CC=CC=C3C4=[N]2C=CC=C4)(Cl)[N]5=CC=CC=C5C6=[N]1C=CC=C6	D1136
ClC1=C(NC2=CC=CC=C2CC(O)=O)C(Cl)=CC=C1	D0147
ClC1=CC=C(OC2=CC=C(OC(C)C(OC)=O)C=C2)C(Cl)=C1	D0867
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	D0854
O=C1CCC2=C3[C@@]([C@@](CC[C@@]4(O)CC#N)([H])[C@]4(C)CC3)([H])CCC2=C1	D0793
O=C(/N=N/C(OCC)=O)OCC	D0095
FC(F)S(=O)(=O)C1=CC=CC=C1	D0401
O=C\1OC/C(=C/1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]7[C@H]8CC[C@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H](O)C3)C)[C@@H](O)C4)C)[C@@H](O)C5)C6	D0175
OC1=C(OC)C=C(CNC(CCCCCCC(C)C)=O)C=C1	D0679
CC(=O)OC1=CC2=C(C=C1)C(C1=C(O2)C=C(OC(C)=O)C=C1)C1=C(C=CC=C1)C(O)=O	D0122
O[C@H]1C(C2=C(O)C=C(O)C=C2O[C@@H]1C3=CC(O)=C(O)C(O)=C3)=O	D0381
COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=C1C=CC(N)=C2	D0134
[H][C@]12O[C@]([H])([C@H](O)[C@@H]1O)[C@@]1([H])C(=O)N(C)C(=O)[C@@]21[H]	D0507
C[C@@H](CO1)CC[C@@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C	D0536
F[P-](F)(F)(F)(F)F.[I+](C1=CC=CC=C1)C1=CC=CC=C1	D0045
[N+]12=CC=CC=C1C3=[N+](C=CC=C3)CC2.[Br-].[Br-].O	D0698
O=C1N2CCN3C(C=CC=C3C2=CC=C1)=O	D1098
S=C=N[Ru]12([N](C(C3=[N]1C=CC(C([O-])=O)=C3)=C4)=CC=C4C(O)=O)([N](C(C5=[N]2C=CC(C([O-])=O)=C5)=C6)=CC=C6C(O)=O)N=C=S.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC	D1002
[Na+].CC(O)CC([O-])=O	H0080
OCC(C)C(O[Na])=O	H0085
C(C(C(CS)O)O)S	D0323
O=C(O)C(N)CCSC	D0444
NC(CC1=CC=CC=C1)C(O)=O	P0185
C(O)(=O)[C@@H]1N=C(C=2SC=3C(N2)=CC=C(O)C3)SC1	L0004
OC1=CC=C2C(SC(C3=N[C@@H](C([O-])=O)CS3)=N2)=C1.[K+]	L0009
O=C([O-])[C@H]1CSC(C(S2)=NC3=C2C=C(O)C=C3)=N1.[Na+]	L0008
OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	M0228
CC(C)(OC(N[C@H]([C@H](C(O[C@H]1C[C@@]([C@H]([C@@H]([C@@]2(C([C@@H](C3=C1C)O)=O)C)[C@]4([C@@H](C[C@@H]2O)OC4)OC(C)=O)OC(C5=CC=CC=C5)=O)(C3(C)C)O)=O)O)C6=CC=CC=C6)=O)C	D0371
CCCCCCCCCCCC[N+](C)(C)CC.[Br-]	D1211
ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2	D0809
C[C@H]1/C=C/C=C2CO[C@@]3([H])[C@]\2(O)[C@@](C(O[C@H]4C[C@H](O[C@@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)C4)C/C=C(C)/[C@H]1O[C@H]7C[C@H](OC)[C@@H](O[C@H]8C[C@H](OC)[C@@H](O)[C@H](C)O8)[C@H](C)O7)=O)([H])C=C(C)[C@H]3O	D0372
O=C1C2=C(C(O)=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(CO)=O)(O)C4)C4=C2O)C(C5=C(OC)C=CC=C51)=O.Cl	D0257
OC1=C2C([C@H](C)C3C(C2=O)=C(O)[C@@]4(O)C([C@H](N(C)C)C(O)=C(C(N)=O)C4=O)[C@H]3O)=CC=C1.CCO.OC5=C6C([C@H](C)C7C(C6=O)=C(O)[C@@]8(O)C([C@H](N(C)C)C(O)=C(C(N)=O)C8=O)[C@H]7O)=CC=C5.Cl.O.Cl	D0445
O=C(C1=CC=C(F)C=C1)CCCN2CCC(N3C4=CC=CC=C4NC3=O)=CC2	D0823
O=C(C1=C2C=CC=C1)OC32C4=CC=C(OC(C5=CC([N+]([O-])=O)=CC=C5F)=O)C=C4OC6=C3C=CC(OC)=C6	D0391
O=C(C1=C2C=CC=C1)OC32C4=CC=C(OC(C5=CC([N+]([O-])=O)=CC=C5F)=O)C=C4OC6=C3C=CC(O)=C6	D0392
O=C(C1=C2C=CC=C1)OC32C4=CC=C(OC(C5=CC([N+]([O-])=O)=CC=C5F)=O)C=C4OC6=C3C=CC(OC(C7=CC([N+]([O-])=O)=CC=C7F)=O)=C6	D0393
OC[C@@](N)([H])[C@]([H])(O)/C=C/CCCCCCCCCCCCC	D0559
O=[N+]([O-])C1=CC=C(SSC2=CC=C([N+]([O-])=O)C(C(O)=O)=C2)C=C1C(O)=O	D0156
[I-].CCN1\C(SC2=C1C=CC=C2)=C\C=C\C=C\C=C\C1=[N+](CC)C2=C(S1)C=CC=C2	D0253
CC1(C)C2=C(C=CC3=C2C=CC=C3)[N+](C)=C1/C=C/C=C(N4C)/C(C)(C)C5=C4C=CC6=C5C=CC=C6.F[P-](F)(F)(F)(F)F	D0448
[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O	E0225
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O	C0465
OC1=CC2=C3C(OC(C4=C3C(OC2=O)=C(O)C(O)=C4)=O)=C1O	E0232
CCCCC(CN1C2=CC=CC=C2)(CCCC)CS(C3=C1C=C(SC)C(OCC(N[C@@H](C(NCC(O)=O)=O)C4=CC=CC=C4)=O)=C3)(=O)=O.O	E0318
O=C1C2=C(N([C@H]3C[C@H](O)[C@@H](CO)C3=C)C=N2)NC(N)=N1.O	E0229
OC1=C([N+]([O-])=O)C=C2C(OC(C(Br)=C(O)C([N+]([O-])=O)=C3)=C3C24OC(C5=C4C=CC=C5)=O)=C1Br	E0279
n/a	E0038
CCCCCC2C(O2)CC1C(O1)CCCCCCCC(=O)(OCC(OC(=O)(CCCCCCCC(O3)C3CC(O4)C4CCCCC))COC(=O)(CCCCCCCC(O5)C5CC(O6)C6CCCCC))	E0037
O=C(O1)C2=C(C=CC=C2)C31C4=CC(I)=C(O)C(I)=C4OC5=C3C=C(I)C(O)=C5I	E0278
O=C(O1)C2=C(C=CC=C2)C31C4=CC(I)=C(O)C(I)=C4OC5=C3C=C(I)C(O)=C5I.[Na].[Na]	E0273
CCS(=O)(OC)=O	E0582
CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]	E0005
NC1=CC(C(C2=CC=CC=C2)=[N+](CC)C3=C4C=CC(N)=C3)=C4C=C1.[Br-]	E0057
NC(C1=CC(CC)=NC=C1)=S	E0237
O=C(OCC)CN=[N+]=[N-]	E0230
O=C(OCC)CN=[N+]=[N-]	E0530
O=C(OCC)CN=[N+]=[N-]	E0531
O=C(OCC)CN=[N+]=[N-]	E0532
O=C(OCC)C(F)(F)C(F)(F)F	E0242
CCOCOC1=CC=C(C=C1)C(=O)NC1=C(Cl)C(Cl)=CC=C1	E0065
O=S(C1=CC=C(C2=CC(Cl)=CN=C2C3=CC=C(C)N=C3)C=C1)(C)=O	E0092
COC1=CC2=C(C=C1)C=C(NC1=NC(F)=NC(F)=N1)C(=O)O2	D0099
O=S(C(C=C1)=CC=C1C2=NN=C(C3=NC=CC=C3)N=C2C4=CC=C(S(=O)(O)=O)C=C4)([O-])=O.[Na+]	F0059
OC1=CC=C2C(OC(C3=CC(O)=C(O)C=C3)=C(O)C2=O)=C1	F0336
O=C1NC2=CC=CC=C2N1CCN3CCN(C4=CC=CC(C(F)(F)F)=C4)CC3	F0337
CC(C(O)=O)OC(C=C1)=CC=C1OC(N=C2)=CC=C2C(F)(F)F	F0341
FC1=CC(F)=C(C(CN2C=NC=N2)(O)CN3N=CN=C3)C=C1	F0104
CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2	F0079
CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F	F0080
FC1=CC(Cl)=C(OCC(O)=O)C=C1N2C(C(CCCC3)=C3C2=O)=O	F0085
O=C(/C=C(C1=CC=C(OC)C(OC)=C1)\C2=CC=C(F)C=C2)N3CCOCC3	F0283
O=C1C(C2=CC=CC=C2)=COC31OC(C4=CC=CC=C43)=O	F0003
O=C(C1=C2C=CC=C1)OC32C4=C(C=C(OC(C)=O)C=C4)OC5=CC(OC(C)=O)=CC=C53	F0027
CC(=O)OC1=CC=C2C(OC3=CC(OC(C)=O)=CC=C3C22OC(=O)C3=CC(=CC=C23)N2C(=O)C=CC2=O)=C1	F0018
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12	F0074
NNC(=S)NC1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2	F0005
FC(C1=CC=C(OC(C2=CC=CC=C2)CCNC)C=C1)(F)F.Cl	F0141
C(C(C(=O)O)(F)F)(F)F	F0086
O[C@H]1C[C@@]2(C)[C@](C[C@@H](C)[C@]2(OC(CC)=O)C(SCF)=O)([H])[C@]3([H])C[C@H](F)C4=CC(C=C[C@]4(C)[C@]31F)=O	F0325
OC(=O)COC1=CC2=C(C=C1)C(=C1C=CC(=O)C=C1O2)C1=C(C=CC=C1)C(O)=O	F0022
O=C(O)[C@](NC(C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)=O)([H])CCC(O)=O	F0230
C=NNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O	F0382
OC1=CC=C(C(C(C2=CC=C(OC)C=C2)=CO3)=O)C3=C1	F0339
C=C[C@](C1)(C)O[C@]2(C)[C@@H](OC(C)=O)[C@@H](O)[C@@]3([H])C(C)(C)CC[C@H](O)[C@]3(C)[C@@]2(O)C1=O	F0167
OC1=CC=C2C(C[C@@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4O)=C1	F0328
[O-]C(C1=CN=C(O1)C2=CC3=C(O2)C=C(N(CC([O-])=O)CC([O-])=O)C(OCCOC4=C(N(CC([O-])=O)CC([O-])=O)C=CC(C)=C4)=C3)=O.[K+].[K+].[K+].[K+].[K+]	F0013
O=C1C=C(Br)/C(O1)=C/Br	B0220
Br\C=C1/OC(=O)C=C1	F0046
C1=COC(=C1)C(=O)C(=O)C2=CC=CO2	F0114
OC1=C2C(OC(C3=CC=CC=C3)=C(O)C2=O)=CC(O)=C1	G0216
OC[C@@H]1[C@@H](O)C(F)(F)[C@H](N2C=CC([NH3+])=NC2=O)O1.[Cl-]	G0063
OC1=C2C(OC=C(C3=CC=C(O)C=C3)C2=O)=CC(O)=C1	G0210
OC[C@H]1O[C@@H](OC2=CC(OC=C(C3=CC=C(O)C=C3)C4=O)=C4C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	G0191
OC/C=C(CC/C=C(C)\C)\C	G0244
ClC1=CNC(C=C1O)=O	G0209
O=C1[C@@H](C)[C@]([C@](O1)([H])[C@@H]2O)(O)[C@]([C@]32[C@@]4([H])C[C@@H](C(C)(C)C)[C@]53[C@H]6O)(C(O4)=O)O[C@]5([H])OC6=O	G0218
O=C(O1)[C@@H](C)[C@]([C@]1([H])[C@@H]2O)(O)[C@@]3(C4=O)C2([C@H](O4)[C@H](O)[C@H]5C(C)(C)C)C5([C@@H](O)C(O6)=O)[C@]6([H])O3	G0214
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3C(C)(C)[C@@](CC[C@]4(C)[C@]5([H])C[C@@H](O)[C@@]6([H])[C@]4(CC[C@@]6([C@@](C)(O)CC/C=C(C)/C)[H])C)([H])[C@]5(C)CC3)O1	G0220
CC1(C)C=CC2=C(C=CC3=C2OC[C@@H](C4=C(O)C=C(O)C=C4)C3)O1	G0194
O=C1C(CC)=C(C)CN1C(NCCC2=CC=C(S(NC(N[C@H]3CC[C@H](C)CC3)=O)(=O)=O)C=C2)=O	G0208
O[C@@H]1[C@@H](OC2=O)[C@@H]([C@@H]2O)OC1O	G0044
OC1=C(OC)C=C2C(OC=C(C3=CC=C(O)C=C3)C2=O)=C1	G0213
O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(O)=O)O[C@@H]2O[C@H]3C(C)(C)[C@@](CC[C@]([C@@](CC[C@]4(C)[C@@]5([H])C[C@@](C)(C(O)=O)CC4)(C)C5=C6)(C)[C@]7([H])C6=O)([H])[C@]7(C)CC3)O1.N	G0215
CN(C)C1=CC=C(/C(C2=CC=C(N(C)C)C=C2)=C3C=C/C(C=C/3)=[N+](C)/C)C=C1.[Cl-]	G0060
n/a	G0062
NC1=CC=C(/C(C2=CC(C)=C(N)C=C2)=C3C=CC(C=C/3)=N)C=C1.Cl	G0064
CC1=C(N)C=C([N+](C2=CC=CC=C2)=C(C=C(N)C(C)=C3)C3=N4)C4=C1.[Cl-]	G0061
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O	G0006
NC([NH3+])=N.[Cl-]	G0040
NC(N)=N.SC#N	G0058
O[C@H]1[C@@H](O)[C@H](N2C(N=C(N)NC3=O)=C3N=C2)O[C@@H]1CO	G0035
COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1	H0230
CC1=NC=CC2=C1NC3=C2C=CC(OC)=C3	H0460
NNC(=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=CC=C1)C1=CC=CC=C1	H0003
O=C(O[C@H](O[C@@H]1CO[C@H](O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@](O[C@H]3C)([H])[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@]4(CC5)CC[C@]6(C)C([C@]4([H])CC5(C)C)=CC[C@@]7([H])[C@@]6(C)CC[C@]8([H])[C@]7(C)CC[C@H](O[C@@](OC[C@@H]9O)([H])[C@]([C	H0299
OCCN1CCN(CCS(=O)(O)=O)CC1	H0124
OC1C(OC)C2OC(COC)C1OC3OC(COC)C(OC4OC(COC)C(OC5OC(COC)C(OC6OC(COC)C(OC7OC(COC)C(OC8OC(COC)C(O2)C(O)C8OC)C(O)C7OC)C(O)C6OC)C(O)C5OC)C(O)C4OC)C(O)C3OC	H0181
OC1=CC(O)=C(C(C[C@@H](C2=CC(O)=C(OC)C=C2)O3)=O)C3=C1	H0261
O=C1C[C@@H](C2=CC=C(OC)C(O)=C2)OC3=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4)=CC(O)=C31	H0245
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]	H0455
CN1CCN(CC1)C1=CC=C2NC(=NC2=C1)C1=CC=C2NC(=NC2=C1)C1=CC=C(O)C=C1	B0029
CN(CC1)CCN1C2=CC=C(NC(C3=CC(NC(C4=CC=C(O)C=C4)=N5)=C5C=C3)=N6)C6=C2	B0446
CCOC1=CC=C(C=C1)C1=NC2=C(N1)C=C(C=C2)C1=NC2=CC(=CC=C2N1)N1CCN(C)CC1	B0030
CN(CC1)CCN1C2=CC=C(NC(C3=CC(NC(C4=CC=C(OCC)C=C4)=N5)=C5C=C3)=N6)C6=C2	B0447
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-]	B0094
OC1=C(C2=CC(CC=C)=C(O)C=C2)C=C(CC=C)C=C1	H0139
CN(C)CCC1=CC=C(O)C=C1	H0099
[Na+].[Na+].[Na+].OC1=C2C=CC3=C4C(C=CC(=C24)C(=C1)S([O-])(=O)=O)=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O	H0034
CC1(C)CNC(NC1)=NN=C(C=CC1=CC=C(C=C1)C(F)(F)F)\C=C\C1=CC=C(C=C1)C(F)(F)F	H0096
O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(CO)=O)=C1	H0269
OC1=CC=C(CCO)C=C1O	H0155
O[C@@H]1CC[C@@]2(C)[C@@]([C@@H](O)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@@H](CCC(O)=O)C)([H])C1	H0198
O=C1C2=C(O)C=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(C/C=C(C)/C)=C2OC(C4=CC=C(OC)C=C4)=C1O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5	I0172
[H]C(=O)C1=CC(C(=O)OC)=C2C=CC=C(C([H])=O)N12	M0001
ClC1=NC=C(CN2C(N[N+]([O-])=O)=NCC2)C=C1	I0121
O=C(C(C=C(S(=O)([O-])=O)C=C1)=C1N/2)C2=C3C(C(C=C(S(=O)([O-])=O)C=C4)=C4N\3)=O.[Na+].[Na+]	I0063
O=S(CCCCN(C(C=CC1=C2C=CC=C1)=C2C/3(C)C)C3=C/C=C/C=C/C=C/C4=[N+](CCCCS(=O)([O-])=O)C(C=CC5=C6C=CC=C5)=C6C4(C)C)([O-])=O.[Na+]	I0013
IC(C=C1)=CC=C1[N+]2=NC(C3=CC=CC=C3)=NN2C4=CC=C([N+]([O-])=O)C=C4.[Cl-]	I0007
CC(S[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)C	I0030
CC(S[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)C	I0178
ClC1=C(/C=C/C2=[N+](CCCCS(=O)(O[Na])=O)C3=C(C=CC=C3)C2(C)C)CCC/C1=C\C=C4N(CCCCS(=O)([O-])=O)C(C=CC=C5)=C5C/4(C)C	I0058
CC1=CC=C(S(=O)([O-])=O)C=C1.CC2(C)C(/C=C/C3=C(Cl)/C(CCC3)=C/C=C4C(C)(C)C5=C(C=CC6=CC=CC=C65)N\4C)=[N+](C)C7=C2C8=CC=CC=C8C=C7	I0059
O=C1C2(CCCC2)N=C(CCCC)N1CC(C=C3)=CC=C3C4=CC=CC=C4C5=NN=NN5	I0204
OC(C(C(C=C(C1=CC(O)=C(O)C=C1)O2)=O)=C2C=C3O)=C3[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4	I0095
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC=C(O)C(OC)=C3)=C1O	I0174
O=C(N(C(CC)C)N=C1)N1C2=CC=C(N3CCN(C4=CC=C(OC[C@@H]5O[C@@](CN6N=CN=C6)(C7=C(Cl)C=C(Cl)C=C7)OC5)C=C4)CC3)C=C2	I0072
COC(C=C1C(C[C@@H]1CN(CCCN2CCC3=CC(OC)=C(OC)C=C3CC2=O)C)=C4)=C4OC.Cl	I0177
n/a	T0103
CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)CC(CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)C([C@H]1O)N(C)C)OC(C)=O	J0001
O=C1O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)CC(CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(CC(C)C)=O)[C@](C)(O)C3)[C@@H](N(C)C)[C@H]2O)[C@@H](OC)[C@H](OC(C)=O)C1	J0009
O=C1O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)CC(CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(CC(C)C)=O)[C@](C)(O)C3)[C@@H](N(C)C)[C@H]2O)[C@@H](OC)[C@H](OC(C)=O)C1	J0010
CC(N(CC1)CCN1C2=CC=C(OC[C@H]3CO[C@](CN4C=NC=C4)(C5=CC=C(Cl)C=C5Cl)O3)C=C2)=O	K0016
O=C(C1=CC=CC=C1)C2=CC=C3N2CCC3C(O)=O.OCC(CO)(CO)N	K0030
OC1[C@H](O)[C@@H](O)[C@@H](O)CO1	A0410
[NH3+]CCC([NH3+])C(O)=O.[Cl-].[Cl-]	D0154
CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O	L0013
O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@@H]1CO	L0020
NC(CC[C@H](NC([C@@H](N)C)=O)C(O)=O)=O	A0222
OC1=C(C)C=CC(CC[C@@H](C)[C@H](O)[C@@H](C([C@@H]([C@]2([H])[C@@H](C)C[C@]([C@]3([H])O[C@@H](C)[C@@](O)(CC)CC3)(CC)O2)CC)=O)C)=C1C([O-])=O.[Na+]	L0015
OC1=C(C)C=CC(CC[C@@H](C)[C@H](O)[C@@H](C([C@@H]([C@]2([H])[C@@H](C)C[C@]([C@]3([H])O[C@@H](C)[C@@](O)(CC)CC3)(CC)O2)CC)=O)C)=C1C([O-])=O.[Na+]	L0515
OC1=C(O)[C@]([C@@H](O)CO)([H])OC1=O	L0054
OC([C@@H]1CCN1)=O	A0051
ClC(C=C1)=CC=C1[C@@H](C2=CC=CC=C2)[NH+]3CC[NH+](CCOCC(O)=O)CC3.[Cl-].[Cl-]	L0121
NC(CC[C@H](N)C(O)=O)=O	G0041
OC([C@@H](N)CCC(N[C@@H](CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O)C(NCC(O)=O)=O)=O)=O	G0039
OC([C@H](CCC(N[C@@H](CS)C(NCC(O)=O)=O)=O)N)=O	G0005
O=C1[C@@H]([NH3+])CCO1.[Br-]	H0310
O=C1[C@@]2(C)[C@@]34O[C@@H]3C(O[C@@H](C5=COC=C5)[C@]4(C)CC[C@]2([H])[C@]67[C@](C1)([H])C(C)(C)O[C@@]6([H])CC(OC7)=O)=O	L0280
[Li+].CCOCC.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F	L0011
Cl.CC(C)C[C@H](N)C(=O)NC1=CC=C2C(C)=CC(=O)OC2=C1	L0003
C1[C@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O	L0021
OC([C@H](CS1)N=C1C2=NC3=CC=C(OC)C=C3S2)=O	L0317
[Na].O=C(O)C1N=C(SC1)C2=NC=3C=CC(O)=CC3S2	L0532
NCCCC[C@H](N)C(O)=O	L0110
N[C@H](C(O)=O)CCSC	M0524
C[C@H]1C=CC2=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]2([H])[C@H]1CC[C@H]3OC(C[C@H](O)C3)=O	L0281
O=C(O)[C@H]1NCCC1	P0446
OC([C@H](CC1=CC=C(O)C=C1)N)=O	T0573
C[C@@]12CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1([H])[C@H](C(C)=C)CC2	L0128
OC1=C2C(OC(C3=CC(O)=C(O)C=C3)=CC2=O)=CC(O)=C1	L0087
OC1=CC=C(CC=C)C=C1C2=CC(CC=C)=CC=C2O	M0170
S=C(S[Zn]S1)NCCNC1=S.S=C(S[Mn]S2)NCCNC2=S	M0158
CC1=CC(OCCOC2=CC(C)=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	B0292
O=C1C=2C3=C(C(=C(F)C2)N4CCN(C)CC4)OCN(C)N3C=C1C(O)=O	M0172
CCSC(=O)COC1=CC=C(Cl)C=C1C	M0136
CC1=CC=CC(C(C)C2=CNC=N2)=C1C.Cl	M0559
CC(=O)NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C	M0134
CC(NCCC1=CNC2=CC=C(OC)C=C21)=O	M0466
CC1=CC=CC(C)=C1NC(C2N(C)CCCC2)=O.Cl	M0557
O=C(/C=C/C)OC1=C(C(CCCCCC)C)C=C([N+]([O-])=O)C=C1[N+]([O-])=O	M0311
[Na+].CCCCN1C(=O)C(=C\C=C\C=C2/Oc3ccccc3N2CCCS([O-])(=O)=O)\C(=O)N(CCCC)C1=S	M0033
C=1(C=2NC(=CC2)C(=C3N=C(C=C3)C(=C4NC(=C(C5=NC1C=C5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9	T0163
CC(N1N)=NN=C(C2=CC=CC=C2)C1=O	M0409
CS(=O)(OS(=O)(C)=O)=O	M0698
COC1=C(C)C(=CC=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C	M0133
COC(=O)C[C@@H](C)O	H0102
O=C1OC=2C=C(O)C=CC2C(=C1CC(=O)OC)C	M0729
COC(=O)C1=CC(N)=CN=C1	M0129
COC(=O)C1=CC(O)=CN=C1	M0130
COC(=O)C1=CC(=C(O)N=C1)[N+]([O-])=O	M0128
Cl[Zn]Cl.CN(C)C1=CC=C(/C(C2=CC=C([N+](C)(CC)C)C=C2)=C3C=C/C(C=C/3)=[N+](C)/C)C=C1.[Br-].[Cl-]	M0641
COC(=O)C1=CC=CC=C1C(Cl)=O	P0105
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)CCCCCCCCCCCCCCCCCC.[Br-]	M0100
O=S(OC1=CC([C@H](O)[C@@H](O)C(NC(C2N(C(C(NC([C@]([H])(C[C@@H](O)[C@@H](O)NC(C3N(C(C([C@H](O)CC(N)=O)N4)=O)C[C@H](C)[C@@H]3O)=O)NC(C5=CC=C(C6=NOC(C7=CC=C(OCCCCC)C=C7)=C6)C=C5)=O)=O)[C@H](O)C)=O)C[C@H](O)C2)=O)C4=O)=CC=C1O)([O-])=O.[Na+]	M0187
[O-]C(CCN[N+](C)(C)C)=O	M0558
CN(C)[C@H](C(O)=C1C(N)=O)[C@@]2([H])[C@@](C(O)=C(C(C3=C(O)C=CC(N(C)C)=C3C4)=O)[C@]4([H])C2)(O)C1=O.Cl	M0620
NC1=C(C)C(C(N(C[C@@]2([H])[C@]3([H])N2)[C@@]3(OC)[C@@H]4COC(N)=O)=C4C1=O)=O	M0161
C(C(Cl)Cl)(C1=C(Cl)C=CC=C1)C2=CC=C(Cl)C=C2	D0724
BrCC1=C(C)C(N2N1C(C)=C(C)C2=O)=O	M0061
C(OC)(=O)C1=C(C(O)=O)C=CC=C1	P0739
O=S(CCCN1CCOCC1)(O)=O	M0223
O[C@]1([C@](C=C2C)([H])C(O[C@](C3)([H])C4)=O)[C@]([C@@H]2O)([H])OC/C1=C\C=C\[C@H](C)C/C(C)=C/C[C@@]3([H])O[C@]4(C/5)O[C@H](/C(C)=C/C(C)C)[C@@H](C)C5=N\OC	M0188
O=C1C(C(O)=O)=CN(C2CC2)C3=C(OC)C([NH+]4C[C@](NCCC5)([H])[C@]5([H])C4)=C(F)C=C31.[Cl-]	M0189
CCN(CC)C1=CC=C2C=C(C(=O)OC2=C1)C1=CC=C(CBr)C=C1	B0018
[Na+].[Na+].[Na+].COC1=C2C=CC3=C4C(C=CC(C(=C1)S([O-])(=O)=O)=C24)=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O	M0055
O=C(NC(NC1=O)=O)C1/N=C2C(NC(NC/2=O)=O)=O.N	M0146
OC1=C2C(OC(C3=CC(O)=C(O)C(O)=C3)=C(O)C2=O)=CC(O)=C1	M0504
CC(=O)CC(=O)NC1CCOC1=O	O0050
CCCCCCCC(=O)CC(=O)NC1CCOC1=O	O0053
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCC	O0059
O=C(CC(CCCCCCCCC)=O)NC1C(OCC1)=O	O0032
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	O0031
CCCCC(=O)CC(=O)N[C@H]1CCOC1=O	O0138
CCCCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O	O0056
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCCCCCC	O0061
CCCC(=O)CC(=O)NC1CCOC1=O	O0051
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCC	O0057
CCCCCCC(CC(N[C@@H]1C(OCC1)=O)=O)=O	O0153
CCCCCC(=O)CC(=O)NC1CCOC1=O	O0052
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCC	O0058
O=C1[C@@H](NC(CC(CC)=O)=O)CCO1	O0139
CCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O	O0055
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCCCC	O0060
O=C1[C@@H](NC(CC(CCCCCCCC)=O)=O)CCO1	O0140
[Br-].O=C(ON1C(=O)CCC1=O)C1=CC(C[N+]2=CC=C(C=C2)C2=NC=C(O2)C2=CC3=C(OCCC3)C=C2)=CC=C1	S0031
[Br-].COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CC2=CC=CC(=C2)C(=O)ON2C(=O)CCC2=O)C=C1	S0030
[Br-].COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CC2=CC=C(C=C2)N=C=S)C=C1	I0015
[O-]S(=O)(=O)C(F)(F)F.O=C1C=CC(=O)N1CC[N+]1=CC=C(C=C1)C1=CN=C(O1)C1=CC2=C(OCCC2)C=C1	M0081
N(CC1=CC=CC=N1)(CC2=CC=CC=N2)CCN(CC3=NC=CC=C3)CC4=CC=CC=N4	T0044
N(C)(C)C1=CC=C(N(C)C)C=C1.Cl	T0511
CN(C)C1=CC=CC2=CC=CC(N(C)C)=C21	T0909
O=P(O)(O)CN(CP(O)(O)=O)CC(O)=O	N0054
CCN(CC)C1=CC=C(C=C1)N.OS(=O)(=O)O	D0932
CCC(=O)C1=CC2=CC=C(C=C2C=C1)N(C)C	D0077
CN(C)c1ccc(N)cc1	D0898
S=C(NC(C)(C)C)NC(C)(C)C	D0319
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN3C(=O)C=CC3=O	C0069
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1	A0291
O[C@H]1[C@@H](O)CC2=C(OCC(O)CNC(C)(C)C)C=CC=C2C1	N0141
NC(=S)NCC=C	A0783
OC1=CC2=CC=C3C(OC4=C(C=CC5=C4C=CC(O)=C5)C33OC(=O)C4=C3C=CC=C4)=C2C=C1	N0007
O=C(NC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2O	N0529
O=C(NC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2OC(C)=O	N0354
O=C(NC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2OP(O)(O)=O	N0130
O=C(NC1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2OP([O-])([O-])=O.[Na+].[Na+]	N0240
BrC1=CC=C(C=C(OP(O)(O)=O)C(C(NC2=C(OC)C=CC=C2)=O)=C3)C3=C1	N0126
C(NC1=C(C)C=CC=C1)(=O)C2=CC3=C(C=C2O)C=CC=C3	N0352
ClC(C=C1)=CC=C1NC(C2=CC3=CC=CC=C3C=C2OP(O)(O)=O)=O	N0125
O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C=C2O	N0148
O=C(NC1=C(C)C=C(C)C=C1)C2=CC3=CC=CC=C3C=C2OP(O)(O)=O	N0127
O=C(NC1=C(C)C=C(C)C=C1)C2=CC3=CC=CC=C3C=C2OP(O[Na])(O[Na])=O	N0246
C(NC1=C(C)C=C(Cl)C=C1)(=O)C2=CC3=C(C=C2O)C=CC=C3	N0353
O=C(NC1=C(C)C=C(Cl)C=C1)C2=CC3=CC=CC=C3C=C2OP(O[Na])(O[Na])=O	N0247
CC(OC1=CC2=CC=C3C(OC(C(C=CC(OC(C)=O)=C4)=C4C=C5)=C5C36OC(C7=C6C=CC=C7)=O)=C2C=C1)=O	N0028
C[C@H](C(O)=O)C1=CC2=CC=C(OC)C=C2C=C1	N0258
OC1=C2C(OC(C3=CC=C(O)C=C3)CC2=O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=C1	N0234
NC1=CC=C(C2=NON=C12)[N+]([O-])=O	A0176
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N=[N+]=[N-]	A0177
[O-][N+](=O)C1=CC=C(Cl)C2=NON=C12	C0010
OC(=O)CCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+]([O-])=O	N0011
CCN(C(C)C)C(C)C.[H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(O)=O)[C@@]1([H])NC(=O)N2	B0209
CCCC(=O)NC1CCOC1=O	B0280
CCCC(=O)N[C@H]1CCOC1=O	B0267
CCCCCCCCCC(=O)NC1CCOC1=O	D0338
CCCCCCCCCC(=O)N[C@H]1CCOC1=O	D0332
ClC1=NC=C(S1)CN2C(N[N+]([O-])=O)=NCOC2	C0134
CCCCCCCCCCCC(=O)NC1CCOC1=O	D0339
CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	D0335
Cc1ccc2ccc3ccc(C)nc3c2n1	N0115
CC1=NC2=C(C=C1)C=CC3=CC=C(C)N=C23.Cl.O	N0114
CCOC1=C(NC(/C=C/CN(C)C)=O)C=C(C(NC2=CC(Cl)=C(OCC3=NC=CC=C3)C=C2)=C(C#N)C=N4)C4=C1	N0326
CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O	N0171
O=C1C(NC(C)=O)CCO1	E0071
O=C1[C@@H](NC(C)=O)CCO1	E0072
CC1=C(N)C=C(NC(C2=N3)=C/C(C=C2)=[N+](C)/C)C3=C1.[Cl-]	N0249
OC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	F0204
O=C(C(F)(F)C(F)(F)C(F)(F)F)N1C=CN=C1	H0101
CCCCCCC(=O)NC1CCOC1=O	H0201
CCCCCCC(=O)N[C@H]1CCOC1=O	H0112
CCCCCCCCCCCCCCCC(=O)NC1CCOC1=O	H0202
CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	H0113
CCCCCCCCCCCCCCCCNS(=O)(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)=O	H0070
CCCCCC(=O)NC1CCOC1=O	H0200
CCCCCC(=O)N[C@H]1CCOC1=O	H0111
C[N]1(C)C2=CC=CC=C2N([Ni]13Cl)C4=C([N]3(C)C)C=CC=C4	B0150
[Na+].[H][C@@]1(CC[C@H](C)[C@@]([H])(O1)[C@@H](C)C([O-])=O)C[C@]2([H])C[C@@H](OC)[C@@H](C)[C@]3(O2)O[C@@](C)(C[C@H]3C)[C@@]4([H])CC[C@](C)(O4)[C@]5([H])O[C@]([H])(C[C@@H]5C)[C@@]6([H])O[C@@](O)(CO)[C@H](C)C[C@@H]6C	N0094
O=C(OC)C1=CC=C2C(NC(/C2=C(NC3=CC=C(N(C(CN4CCN(C)CC4)=O)C)C=C3)/C5=CC=CC=C5)=O)=C1	N0321
COC1=CC2=C(C=C1)N(CCCCS(O)(=O)=O)\C(=C\C=C1/CCCC(\C=C\C3=[N+](CCCCS([O-])(=O)=O)C4=C(C=C(OC)C=C4)C3(C)C)=C1Cl)C2(C)C	N0035
CCCCCCCCCCCCCCCCC1CONCCCNOCCCONCCCNOC1	H0054
OP(CN(CP(O)(O)=O)CP(O)(O)=O)(O)=O	N0256
[Cl-].[Cl-].COC1=CC(=CC=C1[N+]1=NC(=NN1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1)C1=CC=C(C(OC)=C1)[N+]1=NC(=NN1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1	N0009
O=S(N(C)S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O	M0154
CNC(C)(C)C	M0515
CN(C1=CC=CC=C1)N=O	N0372
C1CCN(C1)N=O	N0378
O=C1C(NC(CCCCCCCC)=O)CCO1	N0270
O=C1[C@@H](NC(CCCCCCCC)=O)CCO1	N0236
O=C(N[C@@H]1C(OCC1)=O)CCCCCCCCCCCCCCCCC	O0137
CCCCCCCCCCCCCCCCCC(=O)\N=C1/C=C2OC3=CC(=CC=C3N=C2C2=C1C=CC=C2)N(CC)CC	O0027
CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O	O0016
CCCCCCCC(=O)NC1CCOC1=O	O0062
CCCCCCCC(=O)N[C@H]1CCOC1=O	O0038
OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	N0278
OC1=CC=C(COC(CCCCCC(C)C)=O)C=C1OC	N0121
C(C(C(CC1=CC(O)=C(O)C=C1)C)C)C2=CC(O)=C(O)C=C2	N0178
O=C1[C@@H](NC(CCCC)=O)CCO1	P0486
Cl\C(=N/C1=CC=CC=C1)C1=CC=CC=C1	P0120
ONC1=CC=CC=C1	P0103
O=C(CCSSC1=NC=CC=C1)ON2C(CCC2=O)=O	S0019
CC(C)(C)[N+](\[O-])=C\C1=CC=CC=C1	B0269
CCCCCCCCCCCCCCC(=O)N1CCOC1=O	T0147
CCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	T0144
O=C1[C@@H](NC(CCCCCCCCCC)=O)CCO1	U0026
OC1=C(OC)C=C(CNC(CCCCCCCC)=O)C=C1	N0181
O=C1OCC[C@@H]1NC(OCC2=CC=CC=C2)=O	H0379
O=C1C2=CC=CC=C2C(C3=CC=C(O)C(C)=C3)(C4=CC(C)=C(O)C=C4)O1	C0242
O=C1OC(C=2C1=CC=CC2)(C3=CC(CN(CC(O)=O)CC(O)=O)=C(O)C(C)=C3)C4=CC(CN(CC(O)=O)CC(O)=O)=C(O)C(C)=C4	C0850
FC1=C2C(F)=C(F)C(F)=C(F)C2=C(F)C(F)=C1F	O0054
O[C@@H]1[C@@H](CO)O[C@@H](OCCCCCCCC)[C@H](O)[C@H]1O	O0004
NC1=C(OC)C=C(C2=CC(OC)=C(N)C=C2)C=C1	D1023
CN(CC1)CCN1C2=NC(C=CC=C3)=C3NC4=C2C=C(C)S4	O0143
O=C(C1CC1)N2CCN(C(C3=C(F)C=CC(CC(C4=C5C=CC=C4)=NNC5=O)=C3)=O)CC2	O0144
CC(C(OC)=C(C)C=N1)=C1CSC2=NC3=CC(OC)=CC=C3N2	O0041
O=C(N(CC1=CC=C(C(F)(F)F)C=C1)C2=NCCN23)C4=C3CCN(CC5=CC=CC=C5)C4	O0207
O[C@H]1[C@H](OC2=CC=C(C(C(C3=CC=C(OC)C=C3)=CO4)=O)C4=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	O0086
OP(OCCN)(O)=O	C0021
[H]C(C1=C(C([H])=O)C=CC=C1)=O	O0008
OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1	O0042
O[C@@H]1[C@]2(CO3)[C@@]([C@H](O)[C@]3(O)[C@@](C4=O)([C@@H]5O)[C@@]2([H])CC[C@H]5C4=C)([H])C(C)(C)CC1	O0131
O=C1OC2=C(C/C=C(C)/C)C(OC)=CC=C2C=C1	O0097
OC1=C(\C=C\C=C\C=C2/C(=O)ON=C2C2=CC=CC=C2)C(=NO1)C1=CC=CC=C1	P0019
[O-][N+]12CCC[C@]3([H])[C@@]1([H])[C@]([C@](CCCC4=O)([H])N4C3)([H])CCC2	O0077
O[C@](C(C)(C)C1=C(C)[C@H]2OC([C@@H]([C@H](C3=CC=CC=C3)NC(C4=CC=CC=C4)=O)O)=O)(C2)[C@H]([C@]([C@]([C@@H](O)C5)(C)C([C@@H]1OC(C)=O)=O)([H])[C@]6([C@]5([H])OC6)OC(C)=O)OC(C7=CC=CC=C7)=O	P0188
O[C@]12O[C@@]3([H])O[C@](C2)(C)[C@@]4([C@@]3(COC(C5=CC=CC=C5)=O)[C@@]1([H])C4)O[C@@H]([C@@H]([C@H]6O)O)O[C@H](CO)[C@H]6O	P0260
O=C1C(C(C)=O)=C(C)C(C=NC(NC2=CC=C(N3CCNCC3)C=N2)=N4)=C4N1C5CCCC5	P0590
O=C(C)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](OC(C)=O)[C@@H]([N+]6(C)CCCCC6)C[C@]5(C)[C@@]4([H])CC[C@@]31C.[Br-].[Br-]	P0238
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl	P0164
C/C1=C\CC[C@](O2)(C)[C@H]2[C@@H](OC(C3=C)=O)[C@H]3CC1	P0297
OC1=CC=C(/C=C/C(O)=O)C=C1	C0400
S=C=NC1=CC=C(C=C1)N=C=S	P0022
CC[C@H](C(O)=O)OC1=CC(CN(C2=NC3=C(C=CC=C3)O2)CCCOC4=CC=C(OC)C=C4)=CC=C1	P0721
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]	P0606
FC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)C(F)(F)F	P0500
O=C(NC1=CC=CC(C)=C1)OC2=CC(NC(OCC)=O)=CC=C2	P0589
O=S1(C2=CC=CC=C2C(C3=CC=C(O)C=C3)(C4=CC=C(O)C=C4)O1)=O	P0025
O=S1(C2=CC=CC=C2C(C3=CC=C(O)C=C3)(C4=CC=C(O)C=C4)O1)=O	P0026
NC1=CC=2[N+](=C3C(=NC2C=C1)C=CC(N)=C3)C4=CC=CC=C4.[Cl-]	P0525
C1=2C(OC=3C(N1)=CC=CC3)=CC=CC2	P0144
O=S(CC1=CC=CC=C1)(F)=O	P0492
[H]C#CCOC1=CC=CC=C1	P0124
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1	P0487
OC1=CC=C(CCC(C2=C(O)C=C(O)C=C2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O3)=O)C=C1	P0263
F[B-](F)(F)F.CN(C)P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C	H0011
ClS(=O)(=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O	P0009
CC(C)CCCC(C)CCCC(C)CCCC(C)CC	P0605
Cl[C@@H]1[C@@H](C[C@@H](CC1)/C=C(C)/[C@H]([C@H](C)[C@H](C2)O)OC([C@H](CCCC3)N3C(C([C@@](O)([C@H](C)C4)O[C@H]([C@H](C[C@@H](C)C/C(C)=C/[C@@H](CC)C2=O)OC)[C@H]4OC)=O)=O)=O)OC	P0598
CCC(C=C1)=CN=C1CCOC2=CC=C(CC3SC(NC3=O)=O)C=C2.Cl	P0733
NCCO.CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C	P0125
CC(CC=O)OC(=O)CC(C)OC(=O)CC(C)O	P0074
OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C1	P0596
n/a	P0233
CN(CC1)CCN1CC2=CC=C(NC(C3=CC=C(C)C(C#CC4=CN=C5N4N=CC=C5)=C3)=O)C=C2C(F)(F)F	P0911
[K+].ClC1=CC=C(C=C1)[B-](C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	P0134
O[C@H]1C[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@](O)([H])C[C@H](O)CC(O[Na])=O)=C1	P0933
C=CCOC1=NS(=O)(=O)C2=CC=CC=C21	P0128
NC1=CC=C(C(OCC[NH+](CC)CC)=O)C=C1.[Cl-]	P0182
O[C@@H]1[C@@H](C2=C3C(C[C@@H](O)[C@@H](C4=CC(O)=C(O)C=C4)O3)=C(O)C=C2O)C5=C(O)C=C(O)C=C5O[C@@H]1C6=CC(O)=C(O)C=C6	P0591
OC(C1CCCCC1)(CCN2CCCC2)C3=CC=CC=C3.Cl	P0608
O=C(NC1=CC=C(Cl)C(Cl)=C1)CC	P0406
CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl	P0413
[I-].[I-].CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2	P0023
CC/C=N/O	P0059
CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1	P0090
IC1=CC=C(N=C(OCCC)N(CCC)C2=O)C2=C1	P0126
O[C@@H]([C@H](/C=C/[C@@H](O)CCCCC)[C@H]1CCCCCCC(O)=O)CC1=O	P0450
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O	P0318
OC(CCC/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@@H](O)CCCCC)=O.OCC(CO)(N)CO	P0320
O=C(SCC1=CC=CC=C1)N(CCC)CCC	P0187
[O-][S+](C(N(CCC)CCC)=O)CC1=CC=CC=C1	P0507
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([	P0451
O=C(C)O[C@@]12[C@@]3(CC[C@@]2([H])[C@](C)(OC3=O)/C=C/C=C(C)/C(O)=O)CC=C(C(OC)=O)CC1	P0453
O=C1C=CC2=C(C=C(OC=C3)C3=C2)O1	P0593
CC(C)C(SCCCCCCC(NC1=NC(C2=CC=CC=C2)=CS1)=O)=O	P0063
OC(C=C1)=CC=C1/C=C/C2=CC(OC)=CC(OC)=C2	P0234
C(N(C(CC1=C(Cl)C=C(Cl)C=C1Cl)C)OC)(=O)C=2C(C(F)F)=NN(C)C2	P0708
C(N(C(CC1=C(Cl)C=C(Cl)C=C1Cl)C)OC)(=O)C=2C(C(F)F)=NN(C)C2	P0732
O=C(O/N=C(C1=CC=CC=C1)/C2=CC=CC=C2)C3=C(OC4=NC(OC)=CC(OC)=N4)C=CC=C3OC5=NC(OC)=CC(OC)=N5	P0132
OC(C=C(Cl)N=N1)=C1C2=CC=CC=C2	P0133
ClC1=C(OCCCOC2=NC=C(C(F)(F)F)C=C2)C(Cl)=CC(OC/C=C(Cl)/Cl)=C1	P0180
Cl[H].c1ccncc1	P0710
O=C([H])C1=C(O)C(C)=NC=C1COP(O)(O)=O.[H]O[H]	P0461
Cl[H].[H]C(=O)C1=C(CO)C=NC(C)=C1O	P0118
OCC1=C(CO)C=NC(C)=C1O.Cl	P0466
OC1=C(O)C=CC=C1O	Y0964
CN(C)C1=CC=C2C(OC(C3=C2)=C/C(C=C3)=[N+](C)/C)=C1.[Cl-]	P0588
OC1=C(C2=CC(O)=C(O)C=C2)OC(C=C(O)C=C3O)=C3C1=O	Q0027
Cl.Cl.COC1=CC2=C(NC(C)CCCN(CCCl)CCCl)C3=CC=C(Cl)C=C3N=C2C=C1	Q0011
O[C@@H](C1=C(C=C(OC)C=C2)C2=NC=C1)[C@]3([H])[N@](C[C@@H]4C=C)CC[C@@]4([H])C3	Q0029
[H][C@@]12CCN(C[C@@H]1C=C)C(C2)[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1	Q0012
O[C@H](C1=C(C=C(OC)C=C2)C2=NC=C1)[C@H]3[N@](C[C@@H]4C=C)CC[C@H]4C3.Cl	Q0014
ClC1=CC=C(N=C(OC2=CC=C(O[C@@H](C(O)=O)C)C=C2)C=N3)C3=C1	Q0009
O=C([C@@H](C)OC1=CC=C(C=C1)OC2=NC3=CC=C(C=C3N=C2)Cl)OCC	Q0024
C=C1[C@@]2(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](O)[C@@H](CO)O3)C[C@]6(C1)CC[C@]7([H])[C@](C)(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)CCC[C@@]7(C)[C@]6([H])CC2	R0090
[O-]S(=O)(=O)C1=CC=C(C(=C1)S(=O)(=O)NCCNC1=NC(Cl)=NC(Cl)=N1)C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C1C=C1CCCN3CCCC2=C13	S0077
n/a	S0035
O=C(CC1=CC(OCC)=C(C(O)=O)C=C1)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3	R0122
[Na+].[O-]C1=CC=C2C(OC3=CC(=O)C=CC3=[N+]2[O-])=C1	R0051
O=C1C=C2OC3=CC(OC(C)=O)=CC=C3N=C2C=C1	R0020
O=C1C=C2OC3=CC(OCC4=CC=CC=C4)=CC=C3N=C2C=C1	R0014
CCCC(=O)OC1=CC=C2N=C3C=CC(=O)C=C3OC2=C1	R0044
CCOC1=CC=C2N=C3C=CC(=O)C=C3OC2=C1	R0013
COC1=CC=C2N=C3C=CC(=O)C=C3OC2=C1	R0012
O=C1C=C2OC3=CC(OCCCCC)=CC=C3N=C2C=C1	R0015
O=C1C=C2OC3=CC(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=CC=C3N=C2C=C1	R0005
CC(C)COC(=O)OC1=CC2=C(C=C1)N=C1C=CC(=O)C=C1O2	I0005
OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1	R0057
NC1=CC=C2C(OC(C3=C2C4=C(C(O)=O)C=CC=C4)=CC(C=C3)=N)=C1.Cl	R0016
NC1=CC2=[O+]C3=C(C(C4=CC=CC=C4C(OC)=O)=C2C=C1)C=CC(N)=C3.[Cl-]	R0011
CC1=CC2=C(C3=C(C(OCC)=O)C=CC=C3)C4=CC(C)=C(NCC)C=C4OC2=C/C1=N\CC.Cl	R0032
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCNC1=C(C)C=C2C(OC3=C\C(=[NH+]\CC)C(C)=CC3=C2C2=CC=CC=C2C(=O)NCC[NH3+])=C1	R0022
[O-]C(=O)C(F)(F)F.CCNC1=C(C)C=C2C(OC3=C\C(=N/CC)C(C)=CC3=C2C2=C(C=CC=C2)C(=O)NCCCCCC[NH3+])=C1	R0021
[O-]Cl(=O)(=O)=O.N#CC1=C2C=C3CCC[N+]4=C3C(CCC4)=C2Oc5c6CCCN7CCCc(cc15)c67	R0137
CCN(CC)C1=CC2=[O+]C(C=C(C=C3)N(CC)CC)=C3C(C(C=CC=C4)=C4C(O)=O)=C2C=C1.[Cl-]	R0003
O=C1C(CCN2CCC(C3=NOC4=C3C=CC(F)=C4)CC2)=C(C)N=C5CCCCN51	R0125
CC1=CC=CC(C)=C1NC(C2CCCCN2CCC)=O	R0124
CC1=CC=CC(C)=C1NC(C2CCCCN2CCC)=O.O.Cl	R0123
[O-]C(c1c(C2=C3C=C(C(C(I)=C3Oc4c2cc(I)c([O-])c4I)=O)I)c(Cl)c(Cl)c(Cl)c1Cl)=O.[Na+].[Na+]	R0132
[Ru++].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(nc1)-c2ccccn2.c3ccc(nc3)-c4ccccn4.Cc5ccnc(c5)-c6cc(ccn6)C(O)=O	B0658
CC1=CC(C2=CC(C(ON3C(CCC3=O)=O)=O)=CC=[N]2[Ru]456([N]7=CC=CC=C7C8=[N]6C=CC=C8)[N]9=CC=CC=C9C%10=[N]5C=CC=C%10)=[N]4C=C1	B0032
S=C=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	R0018
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC(O)=C(O)C=C3)=C1O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4	R0400
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC(O)=C(O)C=C3)=C1O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)C(C)O5)O4	R0066
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](CSCCCN)[C@H]1O	A0210
OC[C@H](C)C([O-])=O.[Na+]	H0292
CC1=C(N)C=C([N+](C2=CC=CC=C2)=C(C=C(N)C(C)=C3)C3=N4)C4=C1.[Cl-]	S0116
CNCC(O)=O	S0121
CC1=CC=C(C2=CC=C(SC)C=C2)N1CCOC(C=C3)=CC=C3CC4[O]([Mg+2]([O-]C4=O)([O-]C5=O)[O](C5CC6=CC=C(OCCN7C(C8=CC=C(SC)C=C8)=CC=C7C)C=C6)CC)CC	S0378
[NH4+].[O-]S(=O)(=O)C1=CC=C(F)C2=NON=C12	F0002
CC1=NC(N)=C(CN(/C(C)=C(CCOP(O)(O)=O)/SC(C2=CC=CC=C2)=O)C=O)C=N1	B0403
C[N+](C)(C)CCSC(CCC)=O.[Cl-]	B0041
ClC[N+]12CC[N+](CC2)(F)CC1.F[B-](F)(F)F.F[B-](F)(F)F	S0356
ClC(C=C1)=C(Cl)C=C1[C@H]2C3=C(C=CC=C3)[C@@H]([NH2+]C)CC2.[Cl-]	S0088
OC1=CC=C(CCC(/C=C/CCCCC)=O)C=C1OC	S0279
O=C1NC(C2=CC(S(=O)(N3CCN(C)CC3)=O)=CC=C2OCC)=NC4=C1N(C)N=C4CCC.OC(CC(O)=O)(CC(O)=O)C(O)=O	S0078
OC1=C2C(O[C@@H](C3=CC=C(O[C@@H](CO)[C@H](C4=CC=C(O)C(OC)=C4)O5)C5=C3)[C@H](O)C2=O)=CC(O)=C1	S0276
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O	S0289
CCNC1=NC(NCC)=NC(OC)=N1	S0057
[O-][Cl](=O)(=O)=O.CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C1=C2C=CC(=CC2=[O+]C2=C3C=CC(O)=CC3=CC=C12)N(CC)CC	S0037
OC([C@@H](N)CCC(N[C@H](C(NCC(O)=O)=O)CSN=O)=O)=O	N0262
[Na+].[Na+].[H]O[H].OC(O)(C([O-])=O)C([O-])=O	S0028
CC1=CC=C(S([O-])=O)C=C1.[Na+]	S0503
OC1=C(C(O[Na])=O)C=CC=C1	S0145
ClC1=C(C(F)(F)F)C=C(NC(NC2=CC=C(OC3=CC(C(NC)=O)=NC=C3)C=C2)=O)C=C1.CC4=CC=C(S(=O)(O)=O)C=C4	S0264
C/C=C/C=C/C(Cl)=O	S0036
CC(N[C@H](C(O)=O)CSC1=CC=CC=C1)=O	P0091
CC[N+]1=C(/C=C(/C=C(S2)/N(CC)C3=C2C=CC4=C3C=CC=C4)C)SC5=C1C6=C(C=CC=C6)C=C5.[Br-]	S0012
CCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCCCCCCCCC)=O	S0371
O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/[C@@H](CC)C(C)C	S0267
[Fe][Sr][Fe][Fe][Fe][Fe][Fe][Fe][Fe][Fe][Fe][Fe][Fe](=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)(=O)=O	S0518
CC(N1)(C)NC2=CC=CC(C2=C1C=C3)=C3/N=N/C4=CC=C(/N=N/C5=CC=CC=C5)C6=C4C=CC=C6	S0287
O=S(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(NCC)=O	S0050
O=C(NCCCCCC(ON1C(CC(S(=O)([O-])=O)C1=O)=O)=O)CCCC[C@@H]2SC[C@@]3([H])[C@]2([H])NC(N3)=O.[Na+]	B0310
O=S(C(C=C1)=CC(S(=O)([O-])=O)=C1C(C2=CC(CCCN3CCC4)=C3C4=C2O5)=C6C5=C(CCC7)C8=[N+]7CCCC8=C6)(O)=O	S0025
[O-]S(=O)(=O)C1=C(C=CC(=C1)S(Cl)(=O)=O)C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C3CCCN4CCCC(C=C12)=C34	S0008
CCN(CC)C1=CC2=[O+]C3=C(C=CC(N(CC)CC)=C3)C(C4=C(S(=O)([O-])=O)C=C(S(=O)(O)=O)C=C4)=C2C=C1	S0288
CCN(CC)C1=CC2=[O+]C3=C(C=CC(N(CC)CC)=C3)C(C4=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=C4)=C2C=C1.[Na+]	S0005
OC(C(OC)=C1)=C(OC)C=C1/C=N/N=C/C2=CC(OC)=C(O)C(OC)=C2	S0373
[H][C@@]12N(C(CN(C)C2=O)=O)[C@H](C3=CC=C(OCO4)C4=C3)C5=C(C(C=CC=C6)=C6N5)C1	T0455
CN(CCOC1=CC=C(/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/CC)C=C1)C	T0200
CN(CCOC1=CC=C(/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/CC)C=C1)C.OC(CC(O)(C(O)=O)CC(O)=O)=O	T0201
O=C1C=C(C2=CC=C(OC)C=C2)OC3=C(OC)C(OC)=C(OC)C(OC)=C31	T0415
O=C(C1=C(C2=C3C(C)=CO2)C=CC4=C1C=CC=C4C)C3=O	T0417
O=S(O)(CCN)=O	T0187
OC(CCP(CCC(O)=O)CCC(O)=O)=O.Cl	T0176
CN1C2=CC=CC=C2N=C1C3=CC(N(CC4=CC=C(C5=CC=CC=C5C(O)=O)C=C4)C(CCC)=N6)=C6C(C)=C3	T0460
C1=CN=C(C=C1)C1=NC(=CC=C1)C1=CC=CC=N1	T0113
CCCCNC1=CC=C(C(OCCN(C)C)=O)C=C1	T0454
CCCCNC1=CC=C(C(OCCN(C)C)=O)C=C1.Cl	T0453
ClC1=CC=C(C(COC(F)(C(F)F)F)CN2N=CN=C2)C(Cl)=C1	T0115
OC1=C(C(C2=C(O)[C@@](C(C(C(N)=O)=C(O)[C@H]3N(C)C)=O)(O)[C@@]3([H])C[C@]2([H])[C@@]4(O)C)=O)C4=CC=C1.Cl	T0096
OS([O-])(=O)=O.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC	T0610
CN(C)C1=CC=C2C(OC(C3=C2C4=C(C(OCC)=O)C=CC=C4)=C/C(C=C3)=[N+](C)/C)=C1.O=Cl(=O)([O-])=O	T0057
CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C([O-])=O)N2C(=O)C=CC2=O)=[N+](C)C)=C1	T0029
COC1=CC(C2=CC(OC)=C(N3N=C(C4=CC=CC=C4)N=[N+]3C5=CC=CC=C5)C=C2)=CC=C1N6[N+](C7=CC=CC=C7)=NC(C8=CC=CC=C8)=N6.[Cl-].[Cl-]	T0136
OC1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1	T0003
O=C1OC2C3=C(C)[C@@H](OC(/C(C)=C\C)=O)[C@@H](OC(CCCCCCC)=O)[C@]3([H])[C@](C)(OC(C)=O)C[C@@H](OC(CCC)=O)[C@]2(O)[C@@]1(O)C	T0284
CN(C1=CC=CC=C1S/2)C2=C\C3=C4C(C=CC=C4)=[N+](C)C=C3.CC5=CC=C(S([O-])(=O)=O)C=C5	T0513
CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=C1C=CC=C2)=C\[N+]1=CC=C(C)C2=CC=CC=C12	T0013
CC1=CC=C(C=C1)S([O-])(=O)=O.CN1\C(SC2=C1C=CC=C2)=C\[N+]1=CC=C(C)C2=CC=CC=C12	T0013
CC1=C(C)SC([N+]2=NC(C3=CC=CC=C3)=NN2C4=CC=CC=C4)=N1.[Br-]	T0186
CC1=NC(=C(S1)C(=O)NC1=C(Br)C=C(OC(F)(F)F)C=C1Br)C(F)(F)F	T0118
O=C(C(C(OC)=O)=C1)OC2=C1C3=C(N4C(C=CC4=O)=O)C(OC)=CC=C3C=C2	T0904
NC1=CC=C2C([S+]=C(C=C(N)C=C3)C3=N2)=C1.CC([O-])=O	T0462
O=C1C2=C(C=CC=C2)SC3=CC=CC=C31	T0572
CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C	T0534
CC1=C(C(NC2=CC=C(C)C(Cl)=C2)=O)SN=N1	T0121
OC([C@@H](NS(=O)(CCCC)=O)CC1=CC=C(OCCCCC2CCNCC2)C=C1)=O	T0153
CC1=C(N)C(C)=CC(C2=CC(C)=C(N)C(C)=C2)=C1	T0002
CC1=C(N)C(C)=CC(C2=CC(C)=C(N)C(C)=C2)=C1.Cl	T0151
OC(CC(O)=O)(CC(O)=O)C(O)=O.O=C(CC#N)N1C[C@@H]([C@H](C)CC1)N(C)C2=NC=NC3=C2C=CN3	T0461
O=C([C@H]1C(C)(C)[C@H]1C(Br)C(Br)(Br)Br)O[C@H](C#N)C2=CC=CC(OC3=CC=CC=C3)=C2	T0116
OC(\C=C\C1=CC=CC=C1)C1=CC=CC=C1	D0106
O[C@@H]1CSSC[C@H]1O	D0277
O[C@H]1CN[C@H](C(O)=O)C1	T0254
OC1=CC(/C=C/C2=CC(O)=CC(O)=C2)=CC=C1O	P0592
ClC1=CC=CC(N(CC2)CCN2CCCN3N=C(C=CC=C4)N4C3=O)=C1.Cl	T0476
CC(OC1=CC=C(/C=C/C2=CC(OC(C)=O)=CC(OC(C)=O)=C2)C=C1)=O	A0350
FC(C)(C)C1=NC(N)=NC(NC(C)COC2=CC(C)=CC(C)=C2)=N1	T0124
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC	T0119
CCCC[N+](C)(CCCC)CCCC.[Cl-]	T0607
OC1=C(C#N)C[C@@]2(C)[C@@]3(CC[C@]4([H])[C@]2([H])CC[C@@]5(C)[C@@]4([H])CC[C@@H]5O)[C@@H]1O3	T0449
NC1=NC=C(CC2=CC(OC)=C(OC)C(OC)=C2)C([NH3+])=N1.[NH3+]C3=NC=C(CC4=CC(OC)=C(OC)C(OC)=C4)C(N)=N3.[O-]S(=O)([O-])=O	T0146
[Cl-].C1=CC=C(C=C1)N1N=C(N=[N+]1C1=CC=CC=C1)C1=CC=CC=C1	T0026
O=C(OC1)C2=C1C(C[C@H](O3)[C@]43[C@@]56[C@@H](O6)[C@H]7[C@@](O7)(C(C)C)[C@H]4O)[C@]5(C)CC2	T0237
NC(CO)(CO)CO	T0244
FC(F)(F)C1=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=CC(C(F)(F)F)=C1	T0049
OC1=CC=C(CCN)C=C1	T0168
O=C1OC2=CC(O)=CC=C2C=C1	U0001
CCCCCCCCCCC([H])=O	U0036
[Na+].[Na+].OC[C@H]1O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@H]1O	U0009
[H][C@]1([C@@H](CCC(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	U0019
C[C@@H]1CC[C@]2(C(O)=O)CC[C@@]3([H])[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])[C@H]1C	U0400
ClC(C=C1)=CC=C1C(CC(OC)=O)NC([C@H](C(C)C)NC(OC(C)C)=O)=O	V0027
CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	P0163
BrC(C=C1F)=CC=C1NC2=NC=NC3=CC(OCC4CCN(C)CC4)=C(OC)C=C32	V0043
O=S(O)(O)=O.O[C@@]1(C(OC)=O)[C@]2([H])N(C)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	V0013
[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C=C4)N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC	V0002
O=C(/C(C(N1)=O)=N/O)NC1=O.O	V0006
[Se]=P([Se]1)(C2=CC=CC=C2)[Se]P1(C3=CC=CC=C3)=[Se]	W0019
O=C(C1=C2C=CC=C1)OC32C4=CC=C(OC(C5=CC=CC=C5SSC6=CC=CC=N6)=O)C=C4OC7=CC(OC)=CC=C73	W0001
O=C1OC2=C(O)C=3OC=CC3C=C2C=C1	X0023
O=S1(C2=CC=CC=C2C(C3=C(C)C=C(O)C(C)=C3)(C4=CC(C)=C(O)C=C4C)O1)=O	X0006
OC1=C(/N=N/C2=CC(S(=O)([O-])=O)=CC=C2O)C3=CC=CC=C3C=C1C(NC4=CC=C(C)C=C4C)=O.[Na+]	X0009
O[C@@H]([C@@H]([C@H](CO)O)O)CO	X0010
O[C@@H]1[C@H](C(OC)=O)[C@](C2)([H])[C@](CC1)([H])CN(CC3)[C@]2([H])C4=C3C(C=CC=C5)=C5N4.Cl	Y0013
O=S(C1=CC=C(O)C(/N=N/C(C2=CC=CC=C2)=N/NC3=CC=CC=C3C(O)=O)=C1)([O-])=O.[Na+]	Z0028
CC1=CC=C(C=C1)S(=O)(=O)NC1=C2N=C(C)C=CC2=CC(OCC(O)=O)=C1	Z0014
CCOC(=O)COC1=CC(NS(=O)(=O)C2=CC=C(C)C=C2)=C2N=C(C)C=CC2=C1	Z0013
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	Z0007
OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC(NCCN(CC1=CC=CC=N1)CC1=NC=CC=C1)=C3)C1=CC=C(O)C=C1O2	Z0005
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(O)C=C1O2	Z0006