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CC1=CC=CC(C(=O)NCN2CCN(C3=C(C#N)C=CC=C3)CC2)=C1.O=C(O)/C=C\C(=O)O	28020
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CCN(CC)CCCCNC1=NC=C2C=C(C3=CC(OC)=CC(OC)=C3)C(NC(=O)NC(C)(C)C)=NC2=N1	29058
FC1=NC2=C(C=C1)NC=C2	29257
COC1=C(OCCCN2CCC(C3=NOC4=C3C=CC(F)=C4)CC2)C=CC(C(C)=O)=C1	29196
CC1=CC(C2=NN=C3C4=C(C=CC=C4)C(OCC4=CN(C)N=N4)=NN23)=NO1	30549
COC1=C(OC)C=C(/C=C/C(=O)/C=C(O)/C=C/C2=CC(OC)=C(OC)C=C2)C=C1	30410
CC1=CC(N)=CC(C)=C1C(=O)O	30817
CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)O	30992
C[C@@]1(C2=C(F)C=C(F)C(C3=CN=CN=C3)=C2)CCSC(N)=N1	31033
Cl.N[C@H]1CC[C@H](O)C1	31095
NC(=O)[C@H]1CCNC1	30954
Cl.O=C(O)[C@@H]1C[C@@H](CC2=C(F)C=CC=C2)CN1	31073
CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=C2)[C@@H](CC(=O)O)CO3)=CC=C1	31406
CC(C)C[C@@H](CN)C(=O)O	31361
CC(C)C[C@@H](CN)C(=O)O	31362
CC(C)(C)OC(=O)N1CC[C@@H]2NC[C@@H]2C1	31609
C[C@@H](CN)C(=O)O	31999
CC(=O)O.C[C@H]1CN(O)C(=O)[C@H]1N	31660
COC1=NC=CC([C@H](C)N)=C1	32100
CC(C)C[C@@H](CN)C(=O)O.Cl	32003
CC1=CC=C(C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)C=C1	32016
O=CC1(CF)CC1	32102
N[C@H]1CCCCNC1	32198
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)O	32251
NC1=CC2=CC=CN=C2C=N1	32379
NC[C@H](CC1=CC=CC=C1)C(=O)O	32287
NCC1=CC=CC2=C1C=CS2	32319
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCC1=CC=CC=C1	32422
OC[C@H]1CNCCCO1	32455
COC(=O)C1=CC(C=O)=CC(F)=C1	32527
CC(C)(C)OC(=O)N1CC[C@@H]2NC[C@@H]2C1	32530
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@H]1CO	32614
CN1CCN(CCOC2=CC(OC3CCOCC3)=C3C(=C2)N=CN=C3NC2=C(Cl)C=CC3=C2OCO3)CC1	41081
COC1=NC=C(C2=CC=C3N=CC4=C(C3=C2)N(C2=CC(C(F)(F)F)=C(N3CCNCC3)C=C2)C(=O)N4C)C=C1.O=C(O)/C=C\C(=O)O	41080
C#CCN(C)C1=C(C#N)C=NN1C1=NN2CCCCC2=C1Cl	42229
NC1=NC2=C(C=NN2CCC2=CC=CC=C2)C2=NC(C3=CC=CO3)=NN12	42230
O=C(NC[C@H](CC1=CC=CC=C1)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	32677
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)O	32678
NC1=C2N=CN([C@H]3O[C@@H](CO)C[C@@H]3O)C2=NC=N1	41158
CCN1CCC(=O)CC1=O	32716
[2H]C([2H])(O)C([2H])(N)C([2H])([2H])O	49112
CC(C)C(=O)OC1=C([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)C=C(CO)C=C1.O=C([O-])/C=C/C(=O)[O-]	41132
COC1=CC(CCC2=CC(O)=C(OC)C=C2)=CC(OC)=C1OC	41179
COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(C(=O)NC4=CC=C(OC(C)C)C=C4)CC3)C2=C1	41110
S=C(NCC1=CC2=C(C=C1)OCO2)N1CCN(C2=NC=NC3=C2OC2=C3C=CC=C2)CC1	41127
COC1=C(OCCCN2CCCC2)C=C2N=CN=C(OC3=C(F)C4=C(C=C3)NC(C)=C4)C2=C1	41138
O=C(NOCC1CC1)C1=CC=C(F)C(F)=C1NC1=C(Cl)C=C(I)C=C1	41155
NCCCNCCSP(=O)(O)O	41173
COC1=CC=C(CC(=O)O)C(F)=C1OC	CK2080
CC1=C(C(=O)O)C=CC(O)=C1O	CK2249
CC1=CC2=NC(C)=C(Br)N2C=C1	CS2190
COC(=O)C1=NC=CC=C1C(OC)OC	CS2193
CCC1=C(C)NC2=C(Br)C=NN2C1=O	CS2334
NC1(C2=CC=CC=C2)COC1	32839
Cl.NCC1CCC(O)CC1	32841
NCC1CC2(COC2)C1	32847
OCC1CC2(COC2)C1	32849
FC1(CI)COC1	32852
O=C(O)C1(C2=CC=CC=C2)COC1	32853
O=C([O-])C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=C([O-])C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=C([O-])C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=C([O-])C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Rh+2][Rh+2]	32855
BrC1=CC(C2COC2)=CC=C1	32920
C1CC1NC1COC1	32921
OC1(C2=CC=CC=C2)COC1	32904
CC(C)(C)OC(=O)N1CCC12COC2	32914
COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1	32919
C1CCC2(COC2)NC1.O=C(O)C(=O)O	32923
CC(C)(C)OC(=O)NC1=NC=NC(CO)=C1	CS1428
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CI)O2	CS1605
CC(C)(C)OC(=O)N1CCC(C2=NC(Cl)=NC(Cl)=C2)CC1	CS2691
NC1=NC2=C(S1)C(Cl)=NC=C2	CS2661
BrC1=NC2=C(S1)C(Br)=NC=C2	CS2673
COC(=O)CC1=CC=C(C2=CN=CC=C2)C=C1	CS1326
COC(=O)C1=NC=CC=C1C=O	CS1479
NS(=O)(=O)CCC1CCNCC1	CS1650
CN1CCN(C2CNC2)CC1=O.Cl.Cl	CS2394
CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC2=O	CS2403
BrC1=CN=CN1C1CC1	CS1767
CC1C=C(B2OC(C)(C)C(C)(C)O2)CC(C)N1C(=O)OC(C)(C)C	CS1722
COC1=C(Cl)N=C(N)N=C1Cl	CS2022
BrC1=NC=CN1C1CC1	CS2034
OB(O)C1=C2C=NNC2=NC=C1	CS1887
OCC1(C2=CC=C(F)C=C2)COC1	CS1998
O=C1C2=NC(Cl)=NC(Cl)=C2CN1CC1=CC=CC=C1	CS2796
CN1C=NC(N)=CC1=O	CS2007
FC1(F)CCN(C2CNC2)CC1	CS2208
OC1=C(F)C=CC(Cl)=N1	CS2298
OCC1(C2=CC=CC(Br)=C2)COC1	CS2310
CN(C1CNC1)C1COC1.Cl.Cl	CS2352
CC1(O)CC2(CCNCC2)C1	CS2373
Cl.O=C1COC[C@@H]2CNCCN12	CS2379
CC1(O)CN(C2CNC2)C1.Cl.Cl	CS2385
CC1(O)CCN(C2CNC2)CC1.Cl.Cl	CS2388
CC1(C)C[C@H](CN)O1	CS2412
C#CC1(F)COC1	CS2415
CCCCCCC/C=C\CCCCCCCCCC1=CC=CC(O)=C1C(=O)O	CS2502
ClC1=CC=CC(Cl)=C1C1=NC2=C(N1)C(Br)=NC=C2	CS2637
N#CC1=CC(Cl)=C(C(=O)O)C(F)=C1	CS2643
CN1N=CC(Br)=C1[C@H]1CCCN(C(=O)OC(C)(C)C)C1	CS2652
O=C1CC[C@H](C2=NC(Cl)=NC(Cl)=C2)CN1	CS2700
CC(C)(C)OC(=O)N1CCC=CC(=O)C1	CS2703
Cl.NC1=CC(CO)=NC=N1	CS2745
ClC1=NC(Cl)=C2CN(C3CC3)CCC2=N1	CS2814
O=C(O)[C@@H]1C[C@@H]1I	CS3132
C1C2CC3CC1CC(C2)N3.Cl	CS2892
ClC1=NC=C2C(=C1)C=CN=C2Cl	CS2988
CC1(C2=CC=CC(Br)=C2)COC1	CS3156
N#CC1=NC=C(Cl)C=C1O	CS3060
CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2	CS3381
CC1(C)OB(C2=CCN(C3=NC=CC=C3)CC2)OC1(C)C	CS3501
C1=CN=C([C@@H]2CCCN2)C=C1	CS3567
CC1=CC(CC(=O)NC2=NC=C(C3=NC=CN=C3)C=C2)=CN=C1C1=CC(C)=NC=C1	CS3177
CC1(C)OB(C2=NN(C3=CC=C(F)C=C3)C=C2)OC1(C)C	CS3312
C#CC1=CC=CC(NC2=C3C=C(OCCCCCCC(=O)NO)C(OC)=CC3=NC=N2)=C1	42007
CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F	CS3480
CCOC(=O)CC(=O)[C@H]1C[C@@H]1F	CS3483
CC(C)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	CS3498
CC1(C)OB(C2=CC3=C(C=C2)CCCO3)OC1(C)C	CS3528
N[C@H](C(=O)O)C1COC1	CS3555
O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O	46005
C[C@@]1(C2CCCC2)CC2=C(C1=O)C(Cl)=C(Cl)C(OCC(=O)O)=C2	46006
C1=CC=C(CN2CC[C@]3(CCNC3)C2)C=C1.Cl.Cl	73635
CCO[C@H]1OC(=O)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)C1=CC(Cl)=C(N)C=C1)C(C)(C)C	42008
NC(=O)[C@@H]1CCCC2=C1NC1=C2C=C(Cl)C=C1	42019
CC1=CN2C(=O)C=C(N3CCOCC3)N=C2C([C@H](C)NC2=C(C(=O)O)C=CC=C2)=C1	42021
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	FD21942
NC1=CN=C2C=C(C(=O)O)C=CC2=C1	33329
NC1=CN=C2C=C(C(F)(F)F)C=CC2=C1	33223
O=C(O)C1=C2N=CC(F)=CC2=CC=C1	33233
O=C(O)C1=C2N=CC(Cl)=CC2=CC=C1	33252
NC1=C2C=C(O)C=NC2=CC=C1	33255
O=C(O)C1=CC=C2N=CC(F)=CC2=C1	33256
O=C(O)C1=C2C=NC=C(Cl)C2=CC=C1	33269
O=C(O)C1=CC=CC2=C(O)C=NC=C12	33271
O=C(O)C1=CC=CC2=NC=C(O)C=C12	33282
O=C(O)C1=CC=C(C(F)(F)F)C2=NC=CC=C12	33284
O=C(O)C1=CC=C2C=C(Cl)C=NC2=C1	33311
FC(F)(F)C1=CN=C2C=C(Br)C=CC2=C1	33316
O=C(O)C1=C2C=C(C(F)(F)F)C=NC2=CC=C1	33321
NC1=C2C=CC=C(F)C2=CN=C1	33322
O=C(O)C1=C2C=CC=C(F)C2=CN=C1	33323
CC(C)(CC1=NC(C2=NC=C(O)C=C2)=NO1)C(=O)NC1=C(C(=O)O)CCCC1	33522
CC(C)(C)OC(=O)NCC1CC(N)C1	33405
N[C@H]1CCCOCC1	33401
CCC(CC)CC1(C(=O)NC2=C(SC(=O)C(C)C)C=CC=C2)CCCCC1	33578
O=C(O)C1CC12CCOC2	33426
C=C[C@@H](N)CCC(=O)O	33474
CCC[C@H](N)[C@H](O)C(=O)NC1CC1.Cl	33660
COC1=C(NC(=O)/C=C/CN2CCCCC2)C=C2C(=C1)N=CN=C2NC1=CC(Cl)=C(F)C=C1	33681
COC(=O)CC1CC(CO)C1	33804
CN(C1=NC=CC=C1CNC1=NC(NC2=CC3=C(C=C2)NC(=O)C3)=NC=C1C(F)(F)F)S(C)(=O)=O.O=S(=O)(O)C1=CC=CC=C1	33636
CC(C)(C)OC(=O)N1CCC2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)C1	33711
C[C@H](N)C1=CNN=C1	33731
Cl.NCCC1=CC=CC(C2=NC=CO2)=C1	33774
COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1	33784
CCOC(=O)C[C@H]1CSC2=C1C=CC(OC)=C2	33799
C=CCCCCC[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	33803
NC(=O)CCC1=CC(C2=NC=CN2)=CC=C1	33835
NC(=O)CCC1=CC(C2=NC=CO2)=CC=C1	33836
NC(=O)C1=NC=C(O)N=C1	11939
ClC1=CC2=CC=CN=C2C=N1	87641
O=C(C1=NC=CC=C1)C1=C2N=CC=C(C3=CC=NC=C3)N2N=C1	87647
CC(C)(C)OC(=O)N1CC(=O)C2=C(C1)N=C(N)S2	87707
CC1=CC(C)=C([N+]2=CN3CCCC3=N2)C(C)=C1.F[B-](F)(F)F	87713
C[C@H]1CN[C@@H](CO)C1.Cl	87742
CC1=C(C2CC2)N=C(C(=O)O)C=C1	87757
CC1=NN(C)C2=C1C(F)=C(C(=O)O)C(F)=C2	87789
COC(=O)C1=C(Cl)C=NC(Cl)=N1	87856
O=C(O)C1=C(Cl)C=C(F)C=C1Cl	88028
CC(C)(C)OC(=O)N1CC(F)(CF)C1	88053
CC1(F)CN(C(=O)OC(C)(C)C)C1	88057
CCOC(=O)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1	88095
CCOC(=O)[C@@H]1CC2(CCOCC2)CN1	88097
CCOC(=O)[C@@H]1CC2(CCCCC2)CN1.Cl	88098
CC(C)(C)OC(=O)N1CC[C@H](C2=CC=C(Br)C=C2)C1	88148
BrC1=CC=C(C2COC2)C=C1	88184
CC1(C)OB(C2=CC=C(C3COC3)C=C2)OC1(C)C	88185
CCN1CCN(CC2=C(C(F)(F)F)C=C(NC(=O)C3=CC(/C=C/C4=C(OC)C5=C(N=C4)NC=C5)=C(C)C=C3)C=C2)CC1	42071
CC1(C)COB(C2=CC=C([C@@](C)(O)C(F)(F)F)C=C2)OC1	88316
BrC1=CC=C([C@H]2CCOC2)C=C1	88317
CC1=NC(C)=C(CN)O1.Cl	88380
COC(=O)C1=C(C)C2=CC=CC=C2C(Br)=C1	88405
Br.Br.CN(C)CCN(C)CCC1=CC(Cl)=C(Cl)C=C1	88437
CC1(C2=CC=C(Br)C=C2)COC1	88558
COC(=O)[C@@H]1C=CN(C(=O)OC(C)(C)C)C1	88593
COC(=O)C1CN(C(=O)OC(C)(C)C)C2CC12	88594
COC1=C(F)C=C2C(C#N)=CNC2=C1	89271
N#CCC1=NN=CC=C1	88651
IC1=NNC=C1C1=NC=NC=C1	88776
N#CC1=CC(C(F)(F)F)=NC=C1	88790
CC(C)(C)OC(=O)N1CCC2CC(N)CC2C1	88907
CN1C=NC(C(=O)[O-])=C1N.[Li+]	88958
COC(=O)C1=C(N)N(C)C=N1	88959
COC1=CC(Cl)=NC2=CC=CC=C21	88970
O=C1NCCC2=C1C=CC(Cl)=N2	89005
COC1=NC2=C(C=C1)CNCC2.Cl	89006
Cl.OC1=C2CNCC2=CC=C1	F10254
Br.FC1=CC(CBr)=CN=C1	89068
CC(C)C1=NN(CC(=O)O)C=C1	89083
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2(Cl)Cl	89263
CC(C)SC1=CNC=N1	89277
COC(=O)[C@@H]1[C@H](O)CCN1C(=O)OC(C)(C)C	89326
COC(=O)C1=CC2=C(C=CC(OC)=C2)S1	89352
CNC(=O)C1=NC=CC(OC2=CC(F)=C(NC(=O)NC3=CC(C(C)(C)C)=NN3C3=CC4=CC=CN=C4C=C3)C=C2)=C1	42024
CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(N4CCNCC4)C=C3)N=C2N(C2CCCC2)C1=O.O=S(=O)(O)CCO	42040
CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](F)C1	39443
COC1=C(F)C=C2N=C(Cl)N=C(Cl)C2=C1	36998
CN(C)C(=O)C1=CC2=C(N=C(NC3=NC=C(N4CCNCC4)C=C3)N=C2)N1C1CCCC1	42035
Cl.O[C@H](COC1=CC=CC2=NC=CC=C12)CN1CCN([C@@H]2C3=C(C=CC=C3)[C@@H]3[C@H](C4=C2C=CC=C4)C3(F)F)CC1	42038
CCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)/C2=C(\NC1=CC=C(CN2CCCCC2)C=C1)C1=CC=CC=C1	42041
NC[C@@](O)(C1=CC=C(Cl)C=C1)C1=CC=C(C2=CNN=C2)C=C1	42042
CC1=CC=CC(CC(=O)N2CCC3=C2C=CC(C2=CN(C)C4=NC=NC(N)=C24)=C3F)=N1	42045
N[C@H]1CCCN(C2=C(/C=C3\SC(=O)NC3=O)C=CC=C2C2=CC=CC=C2)C1	42046
O=[N+]([O-])C1=CC(F)=C(Br)C(O)=C1	34438
CC1=CC(N)=C(C(=O)O)C=C1C	34919
FC(F)(Br)C1=CC=C(Br)C=C1	36841
C[C@]1(CO)CCO1	CS1015
O=C(O)C1=NC2=C(C=CN2)C=N1	37421
COC(=O)CC1=CN=NC=C1	37090
C#CC1=CC=CN=N1	37154
O=C(O)C1=CC2=CC=NC=C2C=N1	37242
ClC1=CC=C2C(Cl)=NC=NC2=N1	37320
CCOC(=O)C1=CNC2=CN=CC(Cl)=C21	37473
CC1=CC=C(S(=O)(=O)N2C=C(B3OC(C)(C)C(C)(C)O3)C3=CN=CN=C32)C=C1	37368
FC1=C(Cl)C=C2NN=CC2=C1	37380
CCOC(=O)C1=NNC2=CC(Br)=CN=C21	37467
CCOC(=O)C1=NN2C=C(Br)C=CC2=C1	37542
CC1=C(C(=O)O)C=NN=C1	37530
Cl.FC1(F)CC2CCC(C1)N2	37535
O=C(OC1CC(F)(F)C1)C1=CC=CC=C1	37795
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CN)O2)CC1	37709
CC1(C)NCC2=C1C=CC=C2	37675
FC1=CC=C(CC2=CC=C(I)S2)C=C1	37627
N#CC1=CC(N)=C(Br)C=N1	37634
O=C(O)C1=CC=NC2=CN=CC=C21	37813
NCCC1CCS(=O)(=O)CC1	37726
C1CCC2(CCC2)NC1.Cl	37701
CC(C)(C)OC(=O)N1CCC2(CC1)CNC1=C(Br)C=CC=C12	37710
Cl.O=C1CC[C@H]2CNCCN12	37768
NC1=CC(Cl)=CN=N1	37766
CC(C)(C)OC(=O)N1CC[C@]2(CCC(=O)C2)C1	37773
CNC1(CO)COC1	37987
Cl.OC[C@@H]1CCNC[C@@H]1F	37990
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)O)C2	37778
NC1=C2N=CNC2=C(Cl)C=N1	37977
CC(C)(C)OC(=O)N1CCNC[C@H]1C#N	37859
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2N	37844
C[C@@]12CCCN1CCNC2	37890
CC1=C(NC2=CC([N+](=O)[O-])=CC=C2)N=C(Cl)N=C1	37928
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H]1NC2	37837
CC(C)(C)OC(=O)N1CCNC[C@H]1C#N	37860
COC(=O)C1=C(F)C2=C(C=C1)NN=C2	37862
Cl.NC1CC2CCC(C1)C2	37863
COC(=O)C1CCC(CNC(=O)OC(C)(C)C)CN1	37864
OC1=C(I)C=NC(Cl)=C1	37869
CC(C)(C)OC(=O)N1CC[C@@]2(CCCC(=O)C2)C1	37872
O[C@@H]1CC[C@@H]1OCC1=CC=CC=C1	37885
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](F)C1	37901
CC1(C)C[C@H](N)C(C)(C)C1.Cl	37914
O=CC1=NNC2=NC=C(F)C=C12	37917
CC1=C2C(C=O)=CN(C)C2=NC=C1	37967
O=C(O)C[C@H]1[C@@H]2COC[C@@H]21	37971
CC(C)(C)OC(=O)N1C2CNCC1COC2	37999
COC1=NC=NC2=C1C=C(C(=O)O)N2C	37960
CC1=CC(O)=C(B(O)O)C=C1	38167
O=C1CC2=C(N=CN=C2)N1	38039
NC1=NNC(C2CC(F)C2)=C1	37978
Cl.OC1C2CNCC1C2	38098
CC(C)(C)O[C@H]1C[C@@H](C(=O)O)N(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C1	38106
O=C(O)C1=CC(C(F)(F)F)=CN1	38107
COC(=O)C1CC2COCC(C1)N2.Cl	38110
O=CC1=NC=CN=C1C1=CC=C(Cl)C=C1	38111
CC1(C)CN(C2CNC2)CCO1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	38005
O=C(O)C(F)(F)F.O=C1CC[C@@]2(CCNC2)N1	38006
NC1(CC2=CC=CC=C2)COC1	38013
CN1CCC(COC2=CN=C(C3=CC(CO)=CC=C3)N=C2)CC1	38146
CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)C1	38498
CC(C)(C)OC(=O)N1CC2CC(=O)CC2C1C(=O)O	38210
Cl.O=C1CC2CS(=O)(=O)CC(C1)N2	38260
Cl.O[C@H]1C[C@H]2COC[C@@H](C1)N2	38262
C#CC1=CN=C(N)N=C1Cl	38170
CC(C)(C)OC(=O)N1CCC12CC(O)C2	38192
C1=CC=C([C@@H]2CCCO2)C=C1	38197
COC(=O)C1=CC(C(F)F)=NC(OC)=C1	38198
CC(C)(C)OC(=O)N1[C@H]2CCC(C(=O)O)[C@@H]1CC2	38208
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C=O)[C@@H]2C1	38211
N#C[C@@H]1CCC[C@@H]1N.O=C(O)C(F)(F)F	38298
Cl.O=C(O)C12CCCN1CCC2	38370
O=CC1=NC=C(F)C=N1	38374
O=C1CC2(CSC2)C1	38218
CCOC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1	38227
CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1	38247
CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1	38248
O=C(O)C1=C(Cl)C=CC([C@H]2O[C@@H](COCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)=C1	38249
CC1=CC2=CN=CN=C2N1	38251
CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC(S(=O)(=O)C(F)(F)F)=C(N[C@@H](CCN5CCOCC5)CSC5=CC=CC=C5)C=C4)C=C3)CC2)C1	43102
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C(F)(F)C1	38253
O=C1NC=CC2=C1C=C(C(F)(F)F)C=C2	38276
N#CC1=C(F)C=C2NC=CC2=C1	38292
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(Cl)N=C2	38358
CC(C)(C)OC(=O)N1CCCC2(CCC2N)C1	38327
Cl.O=S1(=O)CC2(CNC2)C1	38331
Cl.O=C(O)C12CNCC1C2	38335
COC1=C2N=C(NC(=O)N3CCC(C)(O)CC3)SC2=C(N2CCOCC2)C=C1	38379
ClC1=NC=NN2C=C(I)C=C12	38381
O=C1NC=NN2C=C(I)C=C12	38382
COC(=O)C1C2CNCC1C2.Cl	38394
CN1C(I)=CC2=C1N=CN=C2Cl	38483
CC(C)(C)OC(=O)N1CC2CCC(C1)C2C(=O)O	38657
Cl.Cl.NCC1=CC(=O)N=CN1	38507
COC(=O)C1CC2CCCC(C1)N2.Cl	38395
CCOC(=O)C1CC2(CCCN2C(=O)OC(C)(C)C)C1	38551
CC(C)(C)OC(=O)N1CCCC12CC(N)C2	38552
CC(C)(C)OC(=O)N1CC2(CCCN2)C1.CC(C)(C)OC(=O)N1CC2(CCCN2)C1.O=C(O)C(=O)O	38553
C1COC2(C1)CNC2.C1COC2(C1)CNC2.O=C(O)C(=O)O	38554
C1CCC2(COC2)NC1.C1CCC2(COC2)NC1.O=C(O)C(=O)O	38555
CC(C)(C)OC(=O)N1CCC2(CCCC(N)C2)C1	38499
COC(=O)C1C2CC1CN(C(=O)OC(C)(C)C)C2	38446
CC(C)(C)OC(=O)NC1C2CNCC1C2	38447
O=C(O)C1=NC=CC2=C1NC=C2	38448
O=C(O)C1=CC2=C(N=C(Br)C=C2)N1	38450
C#C[C@H]1CCOC1	38451
O=C(O)C1=NN2C=CC(Br)=CC2=C1	38462
COC(=O)C1=NC2=C(C=CN2)C=N1	38468
CC(C)(C)OC(=O)N[C@H]1C[C@](C)(O)C1	38479
Cl.Cl.NC12CC(N)(C1)C2	38589
CC(C)(C)OC(=O)N1CCC[C@@](N)(C(F)(F)F)C1	38896
N[C@H]1C[C@H](N)C1	38581
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1O	38511
N[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1O	38512
CO[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C	38513
C1CNC2(C1)CC2.C1CNC2(C1)CC2.O=C(O)C(=O)O	38518
CC(C)(C)OC(=O)N1CCC12CNC2.CC(C)(C)OC(=O)N1CCC12CNC2.O=C(O)C(=O)O	38549
CC(C)(C)OC(=O)N1CC2(CC(CN)C2)C1	38550
C[C@H]1COCC[C@@H]1N.Cl	38673
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C2	38605
C1CC2(CCOC2)N1.C1CC2(CCOC2)N1.O=C(O)C(=O)O	38609
CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1F	38610
CC(C)(C)OC(=O)N[C@H]1CNCCC1(F)F	38611
C1CC(C2COC2)CCN1.C1CC(C2COC2)CCN1.O=C(O)C(=O)O	38614
C[C@]1(O)C[C@H](N)C1.Cl	38619
CC1=CN=C(C=O)N=C1	38637
O=C(O)C1(F)CNC1	38639
CC(C)(C)OC(=O)N1CC2(C1)CC(N)(C(=O)O)C2	38659
Cl.N[C@@H]1CCOC[C@@H]1O	38663
CC(C)(C)OC(=O)N1CC2CC(N)C2C1	38687
CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)OC[C@@H]2C1	38690
O=C(O)C(=O)O.O=S1(=O)CCC2(CC1)CNC2.O=S1(=O)CCC2(CC1)CNC2	38692
CC(C)(C)OC(=O)N1C2COCC1CC(N)C2	38694
CCOC(=O)C1CC2CC(C(=O)OCC)CC(C1)N2	38698
CSC1=NN2C(Br)=CC=C2C=N1	38708
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1F	38713
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1F	38714
CC(C)(C)OC(=O)N1CCC2(CC2N)C1	38716
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N	38727
Cl.O=C(O)C1CC2(CCCN2)C1	38738
C[C@H]1C[C@@H](O)CCN1.Cl	38753
C[C@H]1C[C@@H](O)CCN1.Cl	38754
N[C@H]1CC[C@](O)(C(F)(F)F)CC1	38923
ClC1=NC=NN2C(Br)=CN=C12	38768
COC(=O)C1=C(C)C=NN=C1	38774
CC(C)(C)OC(=O)N1CCC12CC(=O)C2	38790
C[S@](=O)C1=CNC2=C1C(Cl)=NC=N2	38810
ClC1=NN2C(Br)=CC=C2C(Cl)=N1	38812
NC1C2CC1CN(CC1=CC=CC=C1)C2	38813
CC(C)(C)OC(=O)N1CCCC2(CCC(C(=O)O)CC2)C1	38908
N[C@H]1CC[C@@](O)(C(F)(F)F)CC1	38920
CCOC(=O)C1CCC(O)CO1	38921
NC[C@@H]1CNC(=O)C1	38946
Cl.N[C@H]1C[C@](O)(C(F)(F)F)C1	38947
N[C@H]1C[C@@H](C2=CC=CC=C2)C1	38953
CCOC(=O)C1=CN=C2C=NNC2=C1	38995
NCC1=CC=C(F)S1	38845
CC(C)(C)OC(=O)N1CCC12CC(C(=O)O)C2	38859
CC(C)(C)OC(=O)N1CCCC2NCCCC21	38864
CC(C)(C)OC(=O)N[C@@H]1CCNC[C@@H]1F	38874
Cl.N[C@H]1CCC(F)(F)C1	38897
CC(C)(C)OC(=O)N[C@H]1C[C@@](C)(N)C1	38901
C[C@]1(O)C[C@H](C(=O)O)C1	38906
CC(C)(C)OC(=O)N1CCC[C@H](CN)CC1	38930
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN	38938
COC[C@H]1CNCCN1C(=O)OC(C)(C)C	39105
CC1(C)OB(C2=CN(S(=O)(=O)C3=CC=CC=C3)C3=C2C=CN=C3)OC1(C)C	38973
CC(C)(C)OC(=O)N1CC2COCC(C1)N2	38988
CC(C)(C)OC(=O)N1CC2CNCC(C1)O2.Cl	38991
CC(C)(C)OC(=O)N1CCC2(CCC(=O)NC2)CC1	38993
Cl.NCC1CSC1	39006
FC(F)(F)C1=CNC2=C1C(Cl)=NC=N2	39012
CC(C)(C)OC(=O)N1CC[C@@]2(CCC(=O)N2)C1	39021
NCC1(N2CCCC2)COC1	39051
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)O)C[C@H]2C1	39034
O=C(O)CC1CC2CCC(C1)O2	39096
CC(C)C1=CC(O)=C(O)C(=O)C=C1	39097
CC(C)(C)OC(=O)N1CC2CNCC(C2)C1.Cl	39037
CCC1(C#N)COC1	39058
NCC1(N)COC1.O=C(O)C(=O)O	39059
O=C1CCC2CN(C(=O)OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)C(C(=O)O)CC2C1	39060
Cl.NC1(C(F)(F)F)CCCCC1	39064
CC1=CC2=C(C(C)=C1)N(C[C@H]1CC[C@H](C(=O)O)CC1)CCC[C@@H]2N(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=NN(C)N=N1	41219
O=C(NC1=C(Br)C=CC=C1)N[C@H]1CCN(C2=NC=C(C(F)(F)F)C=C2)C1	41210
C1COCC2(COC2)N1.C1COCC2(COC2)N1.O=C(O)C(=O)O	39213
C1CC2(C1)COCCN2.C1CC2(C1)COCCN2.O=C(O)C(=O)O	39214
CN1C(=O)O[C@H]2CNCC[C@H]21.Cl	39260
CC1(C)CCC(C)(C)C2=C1C=CC(C(=O)NC1=CC=C(C(=O)O)C=C1)=C2	42053
Cl.FC1(F)CNCC2=C1C=CC=C2	71341
O=C(O)C12CC(C3=CC=CC=C3)(C1)C2	71110
CCOC(=O)C1(F)CC1C(=O)O	71669
CN1C=CC2=CC(C(=O)O)=C(Cl)C=C21	71747
CC1=CN=C2N=CC(Br)=CC2=N1	71784
CC(C)(C)OC(=O)N1CC(N)CC(C2=CC=CC=C2)C1	71788
O=C1COCC2=C1C=CC(Br)=C2	71881
CC1=CC(CCC(=O)O)=NC=C1	71960
O=C(O)CC1=CC=CC(C(F)(F)F)=N1	71978
COC(=O)C1=NC(Cl)=NC(OC)=C1	71987
CC1=CC=CC2=C1C(=O)CCN2	72049
COC1=NC=CC(CCC(=O)O)=C1	72053
CC1=NN2C=CC=C(Br)C2=N1	72081
C[C@H]1CCC2=C1C(C(=O)O)=NN2	72106
Cl.O=CC1=CC2=C(C=C1)CNCC2	72318
CC(C)(C)OC(=O)N1CCC(CO)(CO)CC1	72319
CC(C)(C)OC(=O)N1CC[C@@](N)(C(F)(F)F)C1	72219
Cl.F[C@H]1CCCNCC1	72243
CC1=CC(Cl)=CC(O)=C1I	72277
CC(C)(C)OC(=O)N1CCC(O)C(F)CC1	72474
CC(=O)N1CC(OS(C)(=O)=O)C1	72495
CC(C)(C)OC(=O)NC1CCNCC1F	72431
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	72294
O=C(O)C1=C(Cl)C=C2NC=CC2=C1	72345
CC1=NC2=C(OC=C2)C(Cl)=N1	72430
CC(C)(C)OC(=O)N1CC(F)(F)CC[C@@H]1CO	72602
COC(=O)CC1=NC=C(O)C=N1	72519
O=C(O)CCC1=NC=C(C(F)(F)F)C=C1	72578
O=C(O)CCC1=CN=C(F)C=C1	72627
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1	72572
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1	72666
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	72591
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](O)C1	72610
CC(C)(C)OC(=O)N1CCNC[C@H](C(F)(F)F)C1	72613
N[C@@H](CF)C1=CC=CC=C1	72624
CC(C)(C)OC(=O)N[C@H]1CC[C@H](O)C1	72664
OC[C@H]1CCC2=NC=CN21	72690
CCOC(=O)C1=CN=C2C=CN=CN12	72748
COC[C@H](CO)NC(=O)OC(C)(C)C	72695
C[C@H]1CCNCC1(F)F.Cl	72715
Cl.O=C1CCCNC[C@@H]1F	72716
CC1CCC(CO)C1	72724
O=C1C[C@H](CO)CO1	72726
CC1CCCC1CO	72730
CC(C)(C)OC(=O)N1CCCC[C@@](O)(CN)C1	72824
Cl.O=C(NC1CNCC(F)C1)OCC1=CC=CC=C1	72783
CC1=C(CCC(=O)O)C=CN=C1	72786
CN1C(C(=O)O)=CC=C1C(F)(F)F	72792
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	72838
C[C@@H]1OCC[C@@H]1N.Cl	73023
Cl.FC[C@@H]1C[C@H](F)CN1	73101
C[C@@H]1CCNC[C@@H]1O.Cl	72843
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)O	72966
Cl.FC[C@]1(C(F)(F)F)CCNC1	73181
C[C@]1(F)CCCNCC1.Cl	73027
O[C@@H]1CCNC[C@@H]1F	73030
Cl.NC[C@H]1CCC[C@@H]1F	73033
C[C@H]1CNC[C@@H]1NC(=O)OCC1=CC=CC=C1.Cl	72983
COC(=O)CC1=CN=C(C(F)(F)F)C=C1	72885
CN1CC2=C(C=C(O)C=N2)C1=O	72900
CC(C)(C)OC(=O)NCC1=NC=C(O)C=N1	72902
CC12CNCCC1C2(F)F	72951
CCOC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1	72956
Cl.O=C(NC[C@H]1CCCNCC1)OCC1=CC=CC=C1	73017
C[C@]1(NC(=O)OCC2=CC=CC=C2)CCCNCC1.Cl	73018
CN1C(=O)C2=CC(OCC3=CC=CC=C3)=CN=C2C1=O	72924
CC(C)(O)C1=NC=C(O)C=N1	72926
Cl.F[C@H]1CCCCNC1	72929
Cl.OC[C@H]1CCC(F)(F)CN1	72974
CO[C@@H]1CNC[C@@H]1F.Cl	72975
C[C@H]1[C@@H](N)CCN1C(=O)OC(C)(C)C	72940
C[C@@H]1NCC[C@@H]1NC(=O)OCC1=CC=CC=C1.Cl	72986
C[C@H]1[C@@H](CN)CCN1C(=O)OC(C)(C)C	72987
Cl.F[C@H]1CNC[C@@H]1F	72989
CC(C)(C)OC(=O)N1CCC[C@](C)(CN)CC1	72998
Cl.O=C(N[C@H]1CCCNCC1)OCC1=CC=CC=C1	73000
Cl.O=C1CCNCC[C@@H]1F	73001
C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1	72968
Cl.N#CC1(CN)CCC1	72978
FC1=C(Br)NC=N1	73198
CN1C=NC(C(F)(F)F)=C1Br	73199
CN1C=NC(F)=C1Br	73202
CC1CCN(C(=O)OC(C)(C)C)CCC1CN	73006
Cl.O=C(N[C@H]1CNCC[C@@H]1O)OCC1=CC=CC=C1	73009
CC1CCNCCC1CNC(=O)OCC1=CC=CC=C1	73012
CC1CCN(C(=O)OC(C)(C)C)CCC1N	73014
O=C(NC[C@H]1CCCCNC1)OCC1=CC=CC=C1	73134
C[C@@H]1CNC[C@@H]1CNC(=O)OCC1=CC=CC=C1.Cl	73142
O[C@@]1(CF)CCNC[C@H]1F	73155
Cl.O=C(NC[C@H]1CNCCC1(F)F)OCC1=CC=CC=C1	73156
CC1CNCCC1(C)O.Cl	73158
C[C@H]1CCNC[C@@H]1F.Cl	73144
Cl.F[C@H]1CNCCC1(F)F	73145
C[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1N.Cl	73149
C[C@]1(O)CCNC[C@H]1F	73153
C[C@]1(O)CCCCN(C(=O)OCC2=CC=CC=C2)C1	73082
C[C@@H]1OCC[C@@H]1CO	73087
O[C@H]1CCNC[C@@H]1F	73096
Cl.OC[C@H]1C[C@H](F)CN1	73103
C[C@]1(CF)CCNC1.Cl	73105
C[C@@H]1NCC[C@@H]1CO.Cl	73106
OC[C@H]1CC[C@@H](C(F)(F)F)NC1	73179
CN1C(CN)=CC=C1C(F)(F)F.Cl	73186
C[C@H]1CNCCCC1=O.Cl	73108
CC1CNCCCC1O.Cl	73109
C[C@]1(O)CCCCNC1.Cl	73110
Cl.OC[C@]1(F)CCCNCC1	73111
Cl.O=C(NC[C@]1(F)CCCNCC1)OCC1=CC=CC=C1	73112
CC1CCC(CNC(=O)OCC2=CC=CC=C2)NC1.Cl	73113
CC1CCNCC1CNC(=O)OC(C)(C)C	73114
C[C@]1(CNC(=O)OCC2=CC=CC=C2)CCCNCC1.Cl	73118
CC(C)(C)OC(=O)N1CCCC[C@@](F)(CN)C1	73122
C[C@@H]1CCNC[C@@H]1NC(=O)OCC1=CC=CC=C1.Cl	73129
C[C@]1(O)CNCCOC1.Cl	73163
CC1CNCCCC1(C)O.Cl	73166
Cl.FC[C@H]1CC(F)(F)CN1	73168
C[C@@H]1CCNC[C@@]1(O)C(F)(F)F.Cl	73176
C[C@@H]1CC[C@H](O)CN1.Cl	73248
C[C@]1(O)CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1F	73214
CC(C)(C)OC(=O)N1CCOC[C@@](C)(O)C1	73224
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C)O	73235
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(O)C(F)(F)F	73238
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CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@@H]21	F30015
CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1	41327
C[C@@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2	41331
CN1N=NC(C2=NC=C(C3=C(F)C=C(N4C[C@H](COP(=O)(O)O)OC4=O)C=C3)C=C2)=N1	43023
C[C@H](C1=NC(C2=CC=C(C#N)C=C2)=CS1)[C@@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1	43027
C[C@H](OC1=C(N)N=CC(C2=CN(C3CCN(C(=O)OC(C)(C)C)CC3)N=C2)=C1)C1=C(Cl)C=CC(F)=C1Cl	F30002
CC#CC(=O)N1CCC[C@H]1C1=NC(C2=CC=C(C(=O)NC3=NC=CC=C3)C=C2)=C2C(N)=NC=CN12	42548
CC(C)(C)OC(=O)N1CC2(C1)C(=O)NC[C@@H]2C1=CC=CC=C1	F30022
CN(C)C[C@H]1CCOC1(C1=CC=CC=C1)C1=CC=CC=C1.Cl	42550
CC(=O)C1=CC2=C(C=C1)CCNC2.Cl	F10170
CC1=C(CN2CCN(C(=O)[C@H](C)O)CC2)SC2=C(N3CCOCC3)N=C(C3=CN=C(N)N=C3)N=C12	42551
COC1=CC=C([C@@H](CC2=CC=C(C3=NOC(C(=O)O)=C3)C=C2)C2=NC(C3=CC=C(Cl)C=C3)=NO2)C=C1	55613
COC(=O)C1=CC2=C(C=CC(Br)=C2C)N1	52995
CC1=C(C=O)C=CC2=C1C=C(C#N)N2	53080
CC(C)(C)OC(=O)[13C]1=[13C](F)[13CH]=[13C](Br)[13CH]=[13CH]1	82754
CNC(=O)C1=CC(C2=NC3=NC(N4CCOC[C@@H]4C)=NC(N4CCOC[C@@H]4C)=C3C=C2)=CC=C1	42554
NCC1=CC2=C(C=CN=C2)N1	77865
Cl.NCC1=CC=C(C2=NNN=N2)C=C1	78018
OB(O)C1=CC2=C(C=C1)C=NN2[C@@H]1CCCCO1	78680
N/N=C1/C(=O)NC2=CC=CC(Br)=C21	78684
CCOC(=O)C1=CN2C=CC=C[C@H]2N1	78685
CCOC(=O)C1(C2=CC=CC=C2)CC1	78582
CC1CNCC(C)N1C1CC1	78567
N#CC1=CC(N)=CC(C#N)=C1	78601
CC(C)C(=O)NC1=NC(C(=O)O)=CS1	78602
CCOC(=O)C1=CC(C(C)C)=NN1C	78751
C1=CC2=C(C=C1)OC(C1CCNCC1)=C2.Cl	78753
CCOC(=O)C1=CSC(NC(=O)C(C)C)=N1	78763
CC(=O)C1=C2C(=CC=C1)C=NN2C	78501
CC1=CC(B(O)O)=C2C=NNC2=C1	78502
CC1=C2NN=CC2=C(B(O)O)C=C1	78503
CC1=NC=CC(CCN)=C1	78539
CC(C)(C)OC(=O)NC1=NC(CCO)=CC=C1	78546
O=C(O)C1=CC=C2C=CN=C(Cl)C2=C1	78616
O=C(O)C1=CC=C2C=NC(Cl)=CC2=C1	78617
CCOC(=O)/C=C/C1=C(Cl)C=CC=C1Cl	78554
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=N1	78557
CC1=C(NN)C=C([N+](=O)[O-])C=C1	78568
COCCNC(=S)NC1=CC=CC=C1	78571
COCCCNC(=S)NC1=CC=CC=C1	78572
S=C(NC[C@H]1CCCO1)NC1=CC=CC=C1	78574
CC1=CC(NN)=C([N+](=O)[O-])C=C1	78578
CCCCC1=CC2=C(C=C(C(=O)OCC)C=C2)N1	78579
C=C(OC)C(=O)OC	78623
CC1=CC=CC(CC(=O)O)=C1N	78656
CC1=CC=CC2=C1CNC2.Cl	78626
CCOCCOC1=NC=C(Br)C=C1	78830
NC1=C(OCC2=CC=CC=C2)C=CC(Br)=C1	78834
COC1=CC2=C(C=C1)C(I)=NN2C(C)=O	78688
CC(C)(C)OC(=O)N1C(B(O)O)=CC2=C1C=CC(OC1=CC=CC=C1)=C2	78693
O=[N+]([O-])C1=CSC2=C1N=CC=C2	78696
N#CC1CC1C1=CC=CC=C1	78699
NC1=CC(C2=CC=C(F)C=C2)=NC=C1	78706
COC1=CC2=C(C=C1)C=NN2C	78709
O=CC1=CC2=C(C=C1)C(Cl)=NN2	78711
CC(C)(C)OC(=O)N1N=C(C#N)C2=C1C=CC=C2	78712
[C-]#[N+]CC1=NC=CC=C1	78723
CC1=NC(N)=C(C=O)C=C1	78725
C[C@@H](C1CC1)N1CCNCC1.Cl	78735
COCCC1=C(B(O)O)C=CC=C1	78744
COC(=O)C1=NNC2=C1C=C(OC(F)(F)F)C=C2	78745
CN(C)C1=CN=C(Cl)C=N1	78767
COC(=O)CC1=C2C=NNC2=CC=C1	78946
CC1=CC=C(OC2=NC=C(CCN)C=C2)C=C1.Cl.Cl	78814
CCC#C[C@@](C)(O)CC	78823
CC#C[C@@](C)(O)CCCC	78824
C=CC[C@](C)(O)C(C)C	78825
IC1=C2C=CNC2=CC=C1	78827
FC1=C2C=COC2=CC=C1	78779
Cl.Cl.NCCC1=CN=C(OC2CCCC2)C=C1	78795
CC1=C2NN=CC2=CN=C1	79025
CCOC(=O)C1=CSC(CC(C)C)=N1	78863
CO/C=C(\I)C(=O)OC	78865
CN1CC=C(C2=CC(N)=CC=C2)CC1	78877
CCC1=NNC(C2=CSC=C2)=C1N	78880
OB(O)C1=CC=CC(C2=CC=C(C(F)(F)F)C=C2)=C1	78887
CC1=C(Br)C=CN=C1Br	78889
CCC1=CC(C(=O)O)=C(Br)C=C1	78892
BrC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N=C1	78894
CC(=O)NC1=NC=NC=C1	78895
COC(=O)C1=CC=C(CCCN)C=C1.Cl	78996
BrC1=NNC2=C(Br)C=NC=C12	78999
BrC1=NC=C2C(=C1)NN=C2Br	79000
BrC1=CN=CC2=C1NN=C2I	79002
O=C1C=CC2=CC(Cl)=NC=C2N1	78948
C#CC1=CN=C(N)C=N1	78951
OC1=C2C=C(Cl)N=CC2=CC=C1	79086
OC1=CC=C2C=C(Cl)N=CC2=C1	79088
COC1=C(B(O)O)C=C2NN=CC2=C1	79029
NC1=NN2C=CC=C(I)C2=N1	79030
CCC(CC)C1=CC=C(N)C=C1	79032
CC1=C(C(=O)O)C=CC(C=O)=C1	79034
Cl.FC(F)(F)C1=CC=C([C@@H]2CNCCO2)C=C1	79048
COC(=O)C1=C(C)SC(Br)=C1	78904
CC(C)NCC#N.Cl	78909
CCCC[Sn](CCCC)(CCCC)C1=CN=C(Br)S1	78910
COC1=NC=C2C=CC(B3OC(C)(C)C(C)(C)O3)=CC2=C1	78913
CCNCC1=CC(Br)=CN=C1.Cl.Cl	78915
COC1=C(Cl)C(CN)=CC=C1.Cl	78920
CC1=NNC(C)=C1CNCCN.Cl.Cl.Cl	78924
COC(=O)C1=CC(OC)=C(F)C=C1N	78926
Cl.NNCC1=CC=NC=C1	78931
CN(C)CC1CCN(C)CC1.Cl.Cl	78936
CC1(C)CNCC2=C1C=CC(Br)=C2.Cl	78940
CCOC(=O)CC1=CC(O)=C([N+](=O)[O-])C=C1	78941
ClC1=CC(CBr)=NC=C1	78953
Br.BrCC1=CC2=C(C=C1)NC=N2	78960
CC1(C)OB(C2=CC(F)=C3NC=CC3=C2)OC1(C)C	78976
CN1N=CC2=C1C=C(CN)C=C2.Cl	78977
CC(C)OC1=NC=C(CCl)C=C1.Cl	78981
CCOC1=CN=CC(Cl)=C1C#N	78982
N#CC1=C(Br)C=NC=C1Cl	78983
CC(C)(C)OC(=O)NCC#CC(=O)O	78989
COC1=CC(Cl)=NC=C1F	78990
BrC1=C2C(=CC=N1)NN=C2I	79004
BrC1=NC=C2NN=C(Br)C2=C1	79005
BrC1=NC=CC2=C1NN=C2I	79006
BrC1=C2C(=CN=C1)NN=C2I	79007
BrC1=CN=C2NN=C(Br)C2=C1	79008
ClC1=C2NN=CC2=CN=C1	79009
ClC1=CC=C2NN=C(Br)C2=N1	79010
ClC1=CC2=C(C=N1)C(Br)=NN2	79012
ClC1=CN=CC2=C1NN=C2I	79013
ClC1=NC=CC2=C1NN=C2I	79016
COC1=NC=CC2=C1C=NN2	79019
CCOC1=C(B(O)O)C=C2NN=CC2=C1	79044
CC(C)OC1=C(B(O)O)C=C2NN=CC2=C1	79045
OB(O)C1=C(OC(F)(F)F)C=C2C=NNC2=C1	79046
COC1=CC(CO)=CC([N+](=O)[O-])=C1	79058
CN1C=CC2=CC=CC(Br)=C2C1=O	79111
Cl.O=C(O)C1=CN=C(CN2CCCCC2)C=C1	79228
C#CC1=C(S(C)(=O)=O)C=CC=C1	79229
NC(=O)C1=CC=C(COC2=CC=C(I)C=C2)C=C1	79231
C#CC1=CC=CC2=C1NN=C2	79234
COCOC1=CC=C(F)C(C(=O)O)=C1F	79269
O=C(O)C1=C2CCCOC2=CC=C1	79123
FC1=CN=C(Cl)C2=NC=CN=C12	79068
CCOC1=C(Br)C=C2NN=CC2=C1	79070
CC(C)OC1=C(Br)C=C2NN=CC2=C1	79071
COC(=O)C1=C(F)C=C(N)C=N1	79101
C#CC1=NC2=C(C=C1)NN=C2	79102
C#CC1=CN=C2NN=CC2=C1	79104
CN1C=CC2=C(Br)C=CC=C2C1=O	79109
CCC(=O)C1=CC=CC(F)=C1I	79283
O=[N+]([O-])C1=CC=C2C(=C1)C=C(Cl)N=C2O	79287
CC[C@H](OC1=CC(C)=C(C)C=C1)C(N)=O	79418
CN1C(C2(N)CC2)=NC2=C1C=CC=C2.Cl	79425
CC1=C(Cl)N=C(Br)C2=CC=CC=C21	79127
CC1=NC2=CC(Cl)=NC=C2N1	79161
CC(C)(C)OC(=O)NCC1=CC(C(F)(F)F)=NC=C1	79138
CN1C(=O)NC2=C1C=C(Br)C=C2	79273
CCOC(=O)C1=NC=C(Br)N1C	79201
ClCN1N=CC=N1	79276
BrC1=C2N=CN(C3CC3)C2=CC=C1	79279
COC1=C(N2CCNCC2)C=CC(Cl)=C1.Cl	79156
COC1=C(N2CCNCC2)C=C(C)C=C1.Cl	79157
CCNC1=CC=CN=N1	79166
CC(C)NC1=CC=CN=N1	79167
C1=CN=NC(NC2CC2)=C1	79168
CCNC1=C(Br)C=CN=N1	79171
CC(C)NC1=C(Br)C=CN=N1	79172
COC1=CC=CC(F)=C1N1CCNCC1.Cl	79179
COC1=C(Cl)C=C(CCl)N=C1	79209
CN1C2=CC=CC(Br)=C2N=C1Cl	79224
CN1C(Cl)=NC2=C1C=C(Br)C=C2	79225
FC1=CC=CC(COC2=CC=C(I)C=C2)=C1	79235
O=CC1=C(F)C=NC2=CC=CC=C21	79246
FC1=C(I)C2=CC=CC=C2N=C1	79247
CC(C)(C)OC(=O)N1CCC2=C(C1)NC(C(F)(F)F)=N2	79249
OCC1=NC=CC(F)=C1	79250
CN(CC1=CC=CC=C1)C1=CC=C(C=O)C=C1	79253
CC1=NC=C2C=C(Br)C=CC2=C1	79254
COC1=C(SC)C=C(C(=O)O)C=C1	79347
NC1=NN([C@@H]2CCCCO2)C2=C1C=CN=C2	79265
BrC1=C(N2C=CN=C2)C=CC=C1	79271
CC1(C)OB(C2=C(N)C=CC(OC(F)(F)F)=C2)OC1(C)C	79272
CN(C)C1=NC=C(C(F)(F)F)C=C1N	79294
NC1=CC=CC(O)=C1I	79304
O=C(O)C1=C(C(F)F)C=CC=N1	79309
CC1=CN=C(Cl)C(CN)=C1.Cl	79403
CC1=NC(N(C)C)=CC(C#N)=N1	79407
O=C(OCC1=CC=CC=C1)N1CCC2=C(C=CC=N2)C1	79318
CSC1=CC=CC(SC)=C1C=O	79319
CC(C)OC1=CC(F)=C(C=O)C=C1	79320
COC1=NC=C(Br)C=C1OC(F)F	79330
O=C(C1=CC2=C(C=C1)NC=C2)C(F)(F)F	79377
CC(=O)/C=C/C1=NC=C(C)C=C1	79382
O=C1CCSC2=C1C=CC(Br)=C2	79383
Cl.NCC1=CC(Br)=CN=C1F	79416
CCCS(=O)(=O)CC(C)=O	79567
OC1=CC(F)=CC2=NC=CC=C12	79390
N#CC1=CC(C(F)F)=NC=C1	79392
COC1=NC=C(Cl)C=C1CN.Cl	79399
O=C(O)CC1=C(F)C(F)=C(Br)C=C1	79587
NC1=C(N)N=C(O)C=C1	79599
COC(=O)C1=CC(OC)=C(Cl)C=C1N	79762
COC(=O)C1=CC(OC)=C(Cl)C=C1[N+](=O)[O-]	79763
CCOC(=O)C(C)(C)CCCl	79409
CCOC1=CC(Cl)=NC=C1CN.Cl	79413
CCC1=CC=CC(C(=N)N)=N1.Cl	79414
COC1=C(N)C2=CN=CC=C2C=C1	79440
CSC1=CC(C)=CN=C1CCl.Cl	79441
NC1=C(Cl)C(C2=CC=C(C(F)(F)F)C=C2)=CC=C1	79448
NC1=C(Cl)C(C2=CC(C(F)(F)F)=CC=C2)=CC=C1	79449
NC1=C(Cl)C(C2=C(C(F)(F)F)C=CC=C2)=CC=C1	79450
CC1=CN=C(Br)C(B(O)O)=C1	79452
CC1(C)OB(C2=C(F)C(F)=NC=C2)OC1(C)C	79456
COC(=O)[C@@]1(C)CCN(C)C1	79457
CC1=CC(N)=C(C)N=C1Cl	79484
CC1=C(C)C(C(=O)O)=C(I)S1	79487
C=CC1=C2C=C(OC)C=CC2=NC=C1C#N	79488
CC1=C(Br)C=NC([C@H](C)N)=C1.Cl	79499
CCOC(=O)CCC1=CN=C(F)C=C1	79500
O=C(O)C1=CN=C(Cl)C=C1C1=CC=C(Cl)C=C1	79503
CC1=NC2=C(C=C1)C(C=O)=CN2C	79504
Cl.FC1=CN=CC(CNCC2=CN=CC(F)=C2)=C1	79506
CC1=NC2=C(N)C=CC=C2N=C1	79509
CC1=CC=C(CN2N=NC(N)=C2C)C=C1	79511
CC1=C(N)N=NN1CC1=CC=C(OC(F)(F)F)C=C1	79512
CC1=C(Br)C=C2OC(C3CC3)=NC2=C1	79513
CC1=C(Br)C=C2CC(=O)NC2=C1	79514
C#CC1=CN=CN1	79521
COC1=CN=C(C(F)F)C(C(=O)O)=C1	79531
O=C(O)C1=C(C(F)F)N=C(Br)C=C1	79532
O=C(O)C1=CC2=NC(C(F)(F)F)=CN2C=C1	79555
O=[N+]([O-])C1=NNC2=C1C=CN=C2	79708
CC1=NN(CC2=CC=C(C#N)C=C2)C=C1C(=O)O	79709
NCC1=C(OCC2CC2)C=NC=C1	79713
CC(C)(C)OC1=C(CN)C=CN=C1	79714
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=C2C=CC(Br)=CC2=CC=N1	79663
C1=CC2=C(C=C1)C(C1CNC1)=CN2.Cl	79559
CN[C@H]1CCCCC1=O.Cl	79572
CN(C)C1=CC=C(S(N)(=O)=O)C=C1	79575
CCN1C=CC(=O)C(O)=C1C	79576
NC1=CC(OCC2CC2)=NC=C1	79580
CC(C)(N)CCC#N	79588
CC1=C(Br)C=C(O)C(N)=C1	79590
CC(C)C[C@H](O)CC(C)(C)O	79594
CN1CCC(OC2=C(N)C=C(C(F)(F)F)C=C2)CC1	79596
COC1=NC(C)=C(Br)S1	79703
CC1=C(Cl)C=C(C(=O)OC(C)C)C([N+](=O)[O-])=C1	79639
CC1=CC=C(S(=O)(=O)N2C=C(B3OC(C)(C)C(C)(C)O3)C3=CC(Cl)=CN=C32)C=C1	79705
C=C(C1=CC(Cl)=CC(Cl)=C1)C(C)C	79611
CC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(S(C)(=O)=O)=N1	79613
CC1=CC(B2OC(C)(C)C(C)(C)O2)=CN=C1S(C)(=O)=O	79616
CNC1=NC2=C(C=C([N+](=O)[O-])C=C2)S1	79619
CC1=C(Br)C=NC(S(C)(=O)=O)=C1	79627
N#CC1=CC(C(=O)O)=NC=C1	79647
CN(C)C1=NC2=CC=CC=C2C(N)=C1	79649
CS(=O)(=O)C1=NC=C(Br)C=C1F	79651
O=C(O)CC1=NN(CC2=CC=CC=C2)C=C1	79658
CCOC(=O)C1=CN(CC2=CC(C#N)=CC=C2)N=C1C	79720
NC1=CC=C(F)C(Cl)=C1N	79668
COC[C@H]1CCCC1=O	79670
NC1=C(C(F)(F)F)C=C(OC2=CC=C(Cl)C=C2)C=C1	79675
O=C(OCC1=CC=CC=C1)N1C2=C(C=CC=C2)OC2=C1C=CC=C2	79690
CS(=O)(=O)C1=CC(B(O)O)=C(F)C=C1	79694
CC1=CN(C2CCC(=O)CC2)N=C1	79717
CC(C)C1=CN=C(C(C)C)C(Cl)=N1	79719
CC(=O)NC1=CC2=C(C=C1)NN=C2	79724
COC1=C(C[C@H]2CO2)C=CC=C1	79731
CC1(C)OB(C2=C(F)C=CC(S(C)(=O)=O)=C2)OC1(C)C	79748
BrC1=NC(C2CCNCC2)=CC=C1.Cl	79774
CNC(=O)CCCO	F10217
ClC1=NC(Cl)=C2NN=CC2=N1	F10219
COC(=O)C1CCC(Br)C1	P10074
BrC1=CC=C(C2CNC2)C=C1	P10199
CC(C)(C)OC(=O)N1C[C@H](CO)C[C@H]1C(=O)O	P10207
CNC(=O)[C@@H]1O[C@H](N2C=NC3=C2N=C(Cl)N=C3NCC2=CC=CC(I)=C2)[C@@H](O)[C@H]1O	P10208
COC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1	P10228
CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)O	P10313
BrC1=CC(I)=C2C=NNC2=C1	P10627
FC(F)(F)OC1=NC=C(Br)C=C1	P10466
CC(C)(C)OC(=O)N1CCC2=NC=C([N+](=O)[O-])C=C2C1	P10490
CC(C)(C)OC(=O)N1CCC2NCCC21	P10402
CC1=C(Br)C=C2C(=C1)NN=C2C(=O)O	P10473
O=C(O)C1=NNC2=C(C(F)(F)F)C=CC=C12	P10474
O=[N+]([O-])C1=CC(F)=C2C=NNC2=C1	P10506
CC(C)(C)OC(=O)N1CCNC[C@H]1C(F)(F)F	P10618
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1	P10619
CC1=C2C=C(Br)C=CC2=NC(Cl)=N1	P10781
COC1=CC(Br)=C2C=NNC2=C1	P10572
ClC1=CC2=C(C=CC(Cl)=N2)N1	P10657
C1CCC2(CC1)CCN2	P10691
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=O)O)C=C2)CC1	P10717
ClC1=NC=CC2=C1NN=C2Br	P10724
O=C(O)[C@H]1CCC1(F)F	P10782
COC1=C2OC=CC2=CC=N1	P10785
OC1CC2CCC(C1)O2	P10814
O=C1CCNC[C@@H]2CCCN12	P10821
CC1=NC2=C(C=C1)C(C(=O)O)=CN2	P10828
ClC1=CC(Br)=NC2=C1C=CN2	P10830
N#CCC1=CN=CN=C1	P10849
COC1=NC(CN)=NC=C1	P10963
COC1=CN=C(C=O)N=C1	P10965
C[C@H]1CNC[C@H](C)N1C(=O)OC(C)(C)C	P11284
CC1(C)OB(C2=C3CCCCN3N=C2)OC1(C)C	P10984
C1=CC2=C(N=N1)NC=C2	P11077
CC1=CC=NC(C=O)=N1	P10996
C1=CC=C(C2CNC2)C=C1	P11102
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2	P11052
ClC1=NC=C2N=CN=C(Cl)C2=C1	P11024
N[C@H]1CC[C@H](O)C1	P11035
ClC1=NC(I)=NN2C=CC=C12	P11134
O=C1CC[C@H]2CNCCN12	P11138
CC(=O)C1=CC(C)=CN2C(=O)C=C(N3CCOCC3)N=C12	P11096
CC(C)(C)OC(=O)N1CCO[C@]2(CCCNC2)C1	P11122
N#CC1=NC=C2NC=CC2=C1	P11204
O=C(O)C1=C(F)C=CC2=C1NC=C2	P11215
NC1=C(F)C2=C(N=C1)NC=C2	P11166
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C1N=CC(Br)=C2F	P11171
OC1=C(F)C2=C(N=C1)NC=C2	P11186
COC1=CN=C2C(=C1)C(B1OC(C)(C)C(C)(C)O1)=CN2C(=O)OC(C)(C)C	P11471
CC(C)(C)OC(=O)N1CCC(CO)(C(F)(F)F)CC1	P11225
Cl.Cl.NC1(C(=O)O)CC2(CNC2)C1	P11242
O=C(O)C1=NC=CC2=C1C=NN2	P11269
O=C(O)C1=NC=CC2=C1NN=C2	P11270
COC(=O)C1=NC=CC2=C1C=NN2	P11293
CC1=C2C(B3OC(C)(C)C(C)(C)O3)=CC=CC2=NN1C	P11346
O=C1CC[C@@]2(CCCN(C(=O)OCC3=CC=CC=C3)CC2)N1	P11382
CC(C)(C)OC(=O)N1CCC[C@@]12CCCNCC2	P11384
O=C(OCC1=CC=CC=C1)N1CCC2(CC1)CNC1=C2C=CC(Br)=C1	P11298
O=C(OCC1=CC=CC=C1)N1CCC2(CC1)CNC1=CC=CC(Br)=C12	P11299
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1O	P11321
CC1(C)OB(C2=CN=C(N)S2)OC1(C)C.Cl	P11355
CC(C)(C)OC(=O)N1CCCC[C@]12CNC(=O)C2	P11379
O=C1CCCC2(CCN(C(=O)OCC3=CC=CC=C3)CC2)N1	P11380
CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)O)O2)CC1	P11388
CC(C)(C)OC(=O)N1CCCC2(COC(C(=O)O)C2)C1	P11390
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C#N)CO2	P11391
COC(=O)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)O1	P11393
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)O)CO2	P11395
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](N)C[C@H]2C1	P11428
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)O)=NO2	P11431
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CN)OC2)CC1	P11397
CC(C)(C)OC(=O)N1CCC2(CC1)COCC(=O)N2	P11399
CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)OCC3=CC=CC=C3)CCN2)C1	P11400
CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CN2)C1	P11401
CC(C)(C)OC(=O)N1CC[C@@]2(CNCCN2C(=O)OCC2=CC=CC=C2)C1	P11402
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(N)=O	P11403
CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)O)C2)CC1	P11404
CC1=CC2=C(C=NN2)C(Cl)=N1	P11446
ClC1=NC=CC2=C1SC=N2	P11447
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C2C=C(C(=O)O)C=C1	P11409
CC(C)(C)OC(=O)N1CCC2(CC1)CC1=C(C=CC=C1)CNC2=O	P11413
BrC1=CC2=C(C=C1)NCC21CCOCC1	P11414
O=C(O)C1=CC2=C(C=C1)NCC21CCOCC1	P11415
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN[C@@H]2C1	P11420
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](N)[C@H]2C1	P11421
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC(=O)O)[C@H]2C1	P11422
CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)O)C[C@H]2C1	P11423
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)O)=C2C1	P11433
ClC1=CN2N=C(Br)C=C2C=C1	P11500
O=C(OCC1=CC=CC=C1)N1CCCC12CNC2	P11437
O=C1NC2=C(C=CC(Br)=C2)C12CCNCC2	P11439
CC(C)(C)OC(=O)N1CCC[C@@]2(CCC(=O)N2)C1	P11460
O=C1CCCC2(CCNCC2)N1	P11461
COC1=CN=C2C=CNC2=C1	P11558
CC1=CNC2=C1C=CC(O)=C2	P11527
O=C(O)C1=C2NC=CC2=CC(F)=C1	P11529
FC(F)(F)C1=NC=CC2=C1C=CN2	P11535
FC1=C(Cl)C=NC2=C1C=CN2	P11543
COC1=CC2=C(N=C1)NC=C2C(=O)O	P11548
CC(C)(C)OC(=O)N1CC2(CCC[C@@H](C(=O)O)O2)C1	P11712
CCOC(=O)C1=NN2C=CC=C(Br)C2=C1	P11912
NC1=CN=C2OC=CC2=C1	P11582
BrC1=C2C=CC=NN2N=C1	P11600
BrC1=CN=C2CNCCC2=C1.Cl.Cl	P11645
NC1=C2C(Br)=CSC2=C(I)C=N1	P11755
O=C(O)C1CC(C(F)(F)F)C1	P11800
O=CC1=NC=CC(F)=C1	P11634
CN1C2CCC1CNC2	P11655
CC(C)(C)OC(=O)N1CCC[C@@]2(CCC(=O)N2)CC1	P11698
COC1=C2NC=CC2=CC(Br)=C1	P11883
CC(C)(C)OC(=O)N1CC2(CNCCO2)C1	P11704
CC(C)(C)OC(=O)N1CC2(CCOCCN2)C1	P11707
CC(C)(C)OC(=O)N1CCOC[C@]2(CCN2)C1	P11710
CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CCNC2)C1	P11723
Cl.FC1(F)CC2CNCC21	P11725
CCOC(=O)C1=C2N=C(Cl)C=CN2C=N1	P11728
CCOC(=O)C1=C2N=CC(Br)=CN2C=N1	P11729
CC(C)(C)OC(=O)N1CCC[C@H](CCN)CC1	P11733
COC1=CNC(=O)C2=C1C=CN2	P11766
O=C(OCC1=CC=CC=C1)N1CCC2(CC1)CNC1=C(Br)C=CC=C12	P11767
OC[C@H]1[C@H]2CNC[C@@H]12	P11773
OC[C@@H]1NC[C@@H]2C[C@@H]21	P11774
O=C1C[C@@H](C2=CC=C(Cl)C=C2)CCN1	P11805
Cl.N[C@H]1CNC1=O	P11921
BrC1=C2NN=CC2=NC=C1	P11923
ClC1=NC=C(I)C2=CC=NC=C21	P12025
FC(F)(F)C1=C(Br)C=NC2=C1C=CN2	P11810
O=[N+]([O-])C1=CC(Cl)=NC2=C1C(C(F)(F)F)=CN2	P11814
NC1=CC2=C(N=C1)NC=C2C(F)(F)F	P11817
CCOC(=O)CC1=NN=CC=C1	P11834
CC(C)(C)OC(=O)N[C@H]1CC[C@H](N)C1	P11840
C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1	P11841
CCOC(=O)C1(N)CCS(=O)(=O)CC1	P11854
O=C1CC(=O)CC(C(F)(F)F)C1	P11891
Cl.O=C1C2CNCC1COC2	P11895
NCC1=CC2=C(C=C1)C(N)=NN2	P11903
CC(C)(C)OC(=O)N1CCCCC12CCNCC2.Cl	P11906
CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](O)C1	P11929
CC1=C([C@@H]2CNCCN2)C=CC(F)=C1.Cl.Cl	P11946
CN1N=CC2=CC(B3OC(C)(C)C(C)(C)O3)=CN=C21	P11973
CN1C=C(B2OC(C)(C)C(C)(C)O2)C2=C1C=NC=C2	P11975
CC(C)(C)OC(=O)N[C@@]1(C)CCCNC1	P11976
CC(C)(C)OC(=O)N1C[C@@H]2CN[C@@H]2C(C)(C)C1	P12099
C[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1	P12209
CC(C)(C)OC(=O)NC[C@H]1CNCC1(C)C	P12211
O=C(OCC1=CC=CC=C1)N1CCC2=NC(Cl)=NC(Cl)=C2CC1	P11985
O=C(O)C1CC12CCNC2	P11988
CC1=C(C)C2=C(N1)C(Cl)=NC=N2	P11991
FC1=NC=CC(Cl)=N1	P11997
C#C[C@H]1CCCOC1	P12240
N#CC1=CC2=NC=CC(Cl)=C2O1	P12073
N#CC1=C(Cl)C2=CC=C(Cl)N=C2N=C1	P12088
CC(C)(C)OC(=O)N1CCC2CC21C(=O)O	P12097
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2O	P12105
CC(C)(C)OC(=O)N1CC2CNCC(C1)O2	P12108
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C(=O)O)C2	P12144
O=C(O)C1=NNC2=CN=C(Cl)C=C21	P12246
CN1C[C@H]2[C@H](N)[C@H]2C1	P12160
CCOC(=O)C1=CC2=C(Cl)C=NC=C2N1	P12162
NCC1(C2=CC=C(F)C=C2)COC1	P12256
ClC1=NC=C2SC=CC2=C1	P12259
OCCC1(F)COC1	P12174
CC(C)(C)OC(=O)NC1(C2=CC=C(C#N)C=C2)COC1	P12178
Cl.NC1CC(C(F)(F)F)C1	P12184
CC(C)(C)OC(=O)N1CC(N)(C(F)(F)F)C1	P12185
O=C(O)[C@H]1NCC[C@@H]1O	P12195
COC(=O)[C@@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C	P12201
C[C@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1	P12208
NC1=NC=CC(F)=N1	P12222
CC(C)(C)OC(=O)NC1C2CCC1CNC2	P12230
C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1	P12232
O=C1CC2=C(C=C(Cl)N=C2Cl)N1	P12253
COC1=C(Br)C(F)=CC=N1	P12279
COC1=CN=C2C(=C1)C(B1OC(C)(C)C(C)(C)O1)=CN2S(=O)(=O)C1=CC=C(C)C=C1	P12290
COC(=O)C1=CN=C2NC=C(C)C2=C1	P12293
ClC1=CN=C2C(=C1)N=CN=C2Cl	P12294
COC(=O)C1=NC2=C(C=C1)C=NN2	P12297
O=C(O)C1=NC=C2C=NNC2=C1	P12298
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(Cl)C=C2	P12302
Cl.O=C(O)C1C2CCC1CNC2	P12621
O=CC1=NC(Cl)=C(Cl)S1	P12624
CC(C)(C)OC(=O)N1CCC[C@@](F)(CBr)C1	P12324
N#CC1=CNC2=C1C(Cl)=NC=C2	P12338
O=C(O)C1=NN2N=CC=CC2=C1	P12344
COC(=O)C1=CC2=C(C=N1)CC(=O)N2	P12345
CCOC(=O)C1=CC(O)=C2NN=CC2=C1	P12406
CC(C)(C)OC(=O)N[C@@H]1CCNC[C@@H]1F	P12412
CCOC(=O)C1=CC=C(O)C2=NC=CC=C12	P12371
O=C1CC2(C1)CN(CC1=CC=CC=C1)C2	P12385
CC(C)(C)OC(=O)N1CC2NCCOC2C1	P12402
O=C1CC[C@@H](C(=O)O)S1	P12403
Cl.FC[C@H]1CCCCN1	P12638
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](N)C1	P12417
COC(=O)C1=NC(OC)=C(B2OC(C)(C)C(C)(C)O2)C=C1	P12435
CC(C)(O)C1=NC=C(B2OC(C)(C)C(C)(C)O2)C=N1	P12436
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CO)[C@@H]2C1	P12439
OCCC1CC(F)(F)C1	P12443
CC(C)(C)OC(=O)N1CCC2(CC[C@H](N)C2)CC1	P12447
CC(C)(C)OC(=O)N1CCC2(CCC(=O)C2)CC1	P12448
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2C(=O)O	P12449
CC(C)(C)OC(=O)N1C2CNC(=O)C1C2	P12452
CC(C)(C)OC(=O)N1CCC(O)C(C(F)(F)F)C1	P12453
NC1=NC2=CC=CC(C(F)(F)F)=C2S1	P12464
CCN1CC(N)C1	P12468
ClC1=CC2=C(Cl)C=CN=C2C=N1	P12489
NC1CN(CC(F)(F)F)C1	P12497
C#CC1CNC1.Cl	P12508
NNC1=CN=CN=C1	P12524
CN1N=CC(N)=CC1=O	P12529
CN(C)C1=CC(N)=NN1	P12532
NCC1CC2CCC(C1)O2	P12539
CC1=CC=C(N)C(CO)=N1	P12542
NC1=CC=NN2C=CN=C12	P12543
NC1=CC=NNC1=S	P12544
NC1=CC=CC2=CN=CN12	P12546
C1CN[C@H]2CCCN[C@H]2C1	P12560
C#CC1=CN=C2NC=CC2=C1	P12561
Cl.O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2	P12563
C1CN2CC[C@H]2CN1	P12586
Cl.OCC1C2CCC1CNC2	P12590
O=C(O)CC12CC(C1)C2	P12605
CC1=CC(C(=O)O)=CN=N1	P12606
C[C@H]1CC(=O)C[C@@H](C)N1	P12608
CN1CC2CC(C1)C2N.Cl.Cl	P12630
NC1=CC=NN2C=CC=C12	P12640
O=C(O)C1=NN2C=CC=C(Br)C2=C1	P12650
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1CF	P12656
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2O	P12699
NC1=CN=C2C=NNC2=C1	P12868
N#CC1=CN=C2C=NNC2=C1	P12869
ClC1=NN=C(Cl)C2=C1CCC2	P12661
C#C[C@H]1CCNC1.Cl	P12667
CC1=NNC2=CC(Br)=C(F)C=C21	P12751
Cl.N[C@@H]1CNC(=O)C1	P12719
ClC1=NC2=C(OC(Br)=C2)C(Cl)=N1	P12723
COC1=CC=C2N=CN=C(Cl)C2=N1	P12725
BrC1=C2CCNC2=NC=C1	P12726
CC(C)(C)OC(=O)N1CCC2(CC1)CNC1=C2C=CC(C(F)(F)F)=C1	P12732
CC(C)(C)OC(=O)N1CCC2(CC1)CNC1=CC=CC(C(F)(F)F)=C12	P12734
CC(C)(C)OC(=O)N1CCC(F)C(N)C1	P12737
Cl.O[C@H]1CNCCC1(F)F	P12738
COC(=O)[C@@H]1CNCC(F)(F)C1.Cl	P12739
O=C1NC2(CO)CCC1CC2	P12740
N[C@H](CN1CCCC1)[C@H](O)C1=CC2=C(C=C1)OCCO2	P12744
CN1CNC(=O)C12CCNCC2	P12824
CC1=NC=C(C#N)C(Cl)=C1I	P12763
ClC1=NC2=C(C=N1)N=CS2	P12767
CC1(C2=CC=C(N)C=C2)COC1	P12778
CC1(C)NCCC2=C1C=CC(O)=C2	P12830
FC1=C(F)N=C(Br)C=C1	P12799
NC12CCC(CO)(CC1)CC2	P12804
O=C(O)C12CCC(F)(CC1)CC2	P12807
NC1=NC=NN2C=CC(C(=O)O)=C12	P12813
O=C(O)C1=C2NC=CC2=C(Cl)C=C1	P12818
C=CC12CCC(C(=O)O)(CC1)CO2	P12820
COC(=O)C12CC(CC(=O)O)(C1)C2	P12821
COC(=O)C1=C2NC=CC2=CN=C1	P12840
COC(=O)C1=CNC2=C1C=CC(Br)=N2	P12873
FC(F)(F)C1=C(Br)C=CC2=C1C=NN2	P12927
CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)O)CCS2(=O)=O	P13085
CC(C)(C)OC(=O)N1CC2(C1)[C@@H](N)CCS2(=O)=O	P13086
N[C@]1(C(F)(F)F)CCCNC1=O	P12850
COC(=O)C1=NN(C)C2=CC=CC(Br)=C21	P12861
CC1=CNC2=NC=CC(B3OC(C)(C)C(C)(C)O3)=C12	P12865
CCOC(=O)CC1(C#N)COC1	P13022
CC1(C)NC(=O)C2=C1C=CC(N)=C2	P12914
CC(C)(C)OC(=O)NC1=CN=C(C(=O)O)S1	P13189
CC1(C)[C@H]2CN[C@H](C(=O)O)[C@H]21	P13237
COC1=CC2=C(C=CNC2=O)N=C1	P13240
N#CC1=CC=CC2=NC=NC=C12	P12947
COC(=O)C1=NNC2=CC(Br)=CN=C21	P12951
CN1C=C2C(S(=O)(=O)Cl)=CC=CC2=N1	P12984
CCOC(=O)C1=CN2N=C(Cl)N=C(Cl)C2=C1	P12991
CC(C)(C)OC(=O)NCC1C2CNCC1C2	P12993
FC1=C2C=CNC2=CN=C1	P12994
COC1=C2NC=CC2=CN=C1	P12996
CC(C)(C)OC(=O)N1CC2(CC[C@H](N)C2)C1	P13007
CN1C(N)=CN=C1C(F)(F)F	P13028
CC1(C)NCC2=C1C=CC(Br)=C2.Cl	P13035
Cl.OC[C@@H]1NC[C@@H]2C[C@@H]21	P13087
ClC1=C2NN=C(Br)C2=NC=C1	P13133
CC1=CC(Br)=C2C=NNC2=N1	P13039
O[C@H]1CCC(F)(F)C1	P13046
COC(=O)C1=CC=C2NN=C(Br)C2=N1	P13251
BrC1=C2C=NC=NN2C=C1	P13049
CN1C(C=O)=CC2=C1N=CC=C2	P13056
CN1CCC[C@](C)(N)C1	P13064
ClC1=NN2C(Br)=CC=C2C=N1	P13079
CN1C=CC2=NC=C(C(=O)O)C=C21	P13157
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N	P13158
CN1CC[C@H]2CN[C@H]2C1.Cl.Cl	P13099
CC(C)(C)OC(=O)N1CC2CC1CC2C(=O)O	P13101
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CO)O2)CC1	P13103
Cl.NC1CC2CCC(C1)C2O	P13114
Cl.OC1CC2CNCC2C1	P13125
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](N)C1	P13147
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](N)CC[C@H]2C1	P13162
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](N)[C@H]2C1	P13163
CN1CC[C@@H]1CN	P13166
CC(C)(C)OC(=O)NC[C@H]1CCN1.Cl	P13168
COC(=O)C1=NNC2=C1C=CN=C2	P13266
CCOC(=O)C1=NNC2=CN=C(Cl)C=C21	P13268
C[C@]1(O)C[C@@H](N)C1	P13179
CN1C2CCC(=O)C1CC2	P13193
CN1CCOC2=C1C(Cl)=NN=C2Cl	P13196
CN1CCOC2=C1C=NN=C2Cl	P13197
OC1CCC2(CC1)CC2	P13201
C[C@H]1CC(=O)CCO1	P13205
COC(=O)C1=NNC2=C1C=NC=C2	P13275
O=C(O)C1=C2NN=CC2=NC=C1	P13277
COC1=C(F)C=C(C(=O)O)C(N)=C1	P13471
C#CC1(C)CCOCC1	P13214
Cl.O=S1(=O)CCC12CNC2	P13222
COC(=O)C1=NC=C(N)C=C1C	P13246
CC(C)(C)OC(=O)N1CCC2(CCCC(C(=O)O)C2)C1	P13272
COC(=O)C1=C2C=NNC2=CN=C1	P13273
COC(=O)C1=NC=C(N)S1	P13279
CC(C)(C)OC(=O)N1CC[C@@H]1CBr	P13337
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1	P13343
CC(C)(C)OC(=O)N[C@@]1(C)CCCNC1	P13326
CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1C(F)(F)F	P13328
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CCO	P13332
CN1N=C2C=CC(Br)=CC2=C1S(=O)(=O)Cl	P13350
C1CN2CCOC[C@@H]2CN1	P13390
CC(C)(C)OC(=O)N1C2CCC(N)C1CC2	P13486
CC(C)(C)OC(=O)N1C2CCC(=O)C1CC2	P13488
CC(C)(C)OC(=O)N1C2CCC(O)C1CC2	P13489
CC(C)(C)OC(=O)NC1(C2=CC=C(Br)C=C2)COC1	P13397
O=C(O)C1CCC2(CC1)COC2	P13401
COC(=O)C1(C2=NC=CN=C2)CC1	P13452
Cl.NC[C@H]1C[C@@H](F)C1	P13361
CN1C=CC(C=O)=CC1=O	P13362
CC(C)(C)OC(=O)N1CC(C2=CC(Br)=CN=C2)C1	P13374
COC1=C(OC)C(OC)=C(CN2CCN(C=O)CC2)C=C1	P13380
CC(C)(C)OC(=O)N[C@H]1CCCNCC1	P13381
COC(=O)C1=C(C)C2=C(Br)C=NC=C2S1	P13385
Cl.FC(F)[C@@H]1CCCN1	P13393
COC(=O)[C@H]1NC[C@H]2C[C@H]21.Cl	P13394
CC(C)(C)OC(=O)N1CC2NCCC21	P13395
OC[C@H]1CCCCO1	P13405
OC[C@H]1CCCOC1	P13406
OC[C@H]1CCCOC1	P13407
ClC1=NN2C=CC=C2C=N1	P13457
Cl.O[C@H]1CNCCC12CC2	P13525
OC[C@H]1CCC(F)(F)C1	P13561
COCC(C)(C)N1C=C(B2OC(C)(C)C(C)(C)O2)C=N1	P13636
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](O)C1	P13639
COC1(CN)CN(C(=O)OC(C)(C)C)C1	P13641
CCOC(=O)C[C@H]1C[C@H](O)C1	P13500
CCOC(=O)C[C@H]1C[C@@H](O)C1	P13501
CC(C)(C)OC(=O)N1CCC12CC(N)C2	P13502
CCC1=CC2=C(S1)C(Cl)=NC=N2	P13594
Cl.F[C@H]1CCNC[C@@H]1F	P13600
C[C@]1(O)C[C@@H](CN)C1	P13515
CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2N	P13516
CC(C)(C)OC(=O)N1CC(N2CCNC(=O)C2)C1	P13530
COC(=O)[C@]1(C)C[C@@H](O)C1	P13534
CC(C)(C)OC(=O)N[C@]1(C)C[C@H](N)C1	P13566
COC(=O)CC1=NN=C(Cl)C(C)=C1	P13571
CN(C(=O)OC(C)(C)C)[C@H]1CCCNCC1	P13618
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)C1(C)C	P13656
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)OC1	P13583
CC(C)(C)OC(=O)N1CC(F)(CI)C1	P13542
CNCC1(F)CN(C(=O)OC(C)(C)C)C1	P13544
COC(=O)[C@H]1CC[C@H](N)C1.Cl	P13550
O=C(O)[C@H]1CCC(F)(F)C1	P13554
O=C(O)[C@H]1CCC(F)(F)C1	P13555
Cl.N[C@H]1CCC(F)(F)C1	P13556
CC(C)(C)OC(=O)N1CC(F)(CC(=O)O)C1	P13562
CC1(C)CC(=O)CN(C(=O)OC(C)(C)C)C1	P13574
CCOC(=O)[C@@H]1CCC(=O)CO1	P13576
CCOC(=O)[C@@H]1CC[C@@H](N)CO1	P13581
CC(C)(C)OC(=O)NC[C@H]1CCCNCC1	P13589
Cl.F[C@H]1CNCC[C@H]1F	P13601
CN1CC(F)(F)C[C@@H]1CO	P13608
CNC[C@@]1(C)CCCN1C(=O)OC(C)(C)C	P13616
CC(C)(C)OC(=O)N1CCC[C@]1(C)CN	P13622
Cl.N[C@H]1C[C@@](O)(C(F)(F)F)C1	P13629
COC1(CNC(=O)OC(C)(C)C)CNC1	P13642
Cl.FC(F)(F)[C@H]1CCCNC1	P13823
CCOC(=O)C1CC2CN(C(=O)OC(C)(C)C)CC2C1	P13857
COC(=O)[C@H]1C[C@H](N)C1(C)C.Cl	P13653
CC(C)(C)OC(=O)N[C@H]1C[C@H](N)C1(C)C	P13657
CC(C)(C)OC(=O)N[C@H]1C[C@@H](N)C1(C)C	P13658
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](N)C1	P13663
CN(C(=O)OC(C)(C)C)C1CC(O)C1	P13665
CN1CC2=C(C1)NN=C2	P13814
CC(C)(C)OC(=O)N1C[C@H]2CN[C@H]2C1	P13815
Cl.O=C(O)C12CC(CCN1)C2	P13673
Cl.O[C@H]1C[C@@H]2CNC[C@@H]2C1	P13675
COC1=CC=C(CO[C@H]2C[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2F)C=C1	P13681
CC(C)(C)OC(=O)N1CCCC12CCC(=O)CC2	P13683
CCOC(=O)[C@@H]1CC[C@H](N)[C@@H](NC(=O)OC(C)(C)C)C1	P13713
CCOC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1	P13716
CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)CCCNC1	P13802
O=C1CC(F)C1	P13807
N[C@]1(C(=O)O)C[C@H](F)C1	P13808
CC(C)(C)OC(=O)N1CC2CNCC(C1)N2	P13812
CC(C)(C)OC(=O)N1CC2CC(=O)CC(C1)N2	P13813
O=C(OCC1=CC=CC=C1)[C@H]1C[C@H](O)C1	P13785
COC1=C2N=CN([C@H]3O[C@@H](CO)[C@H](O)[C@]3(C)O)C2=NC(N)=N1	P13913
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CN)C1	P13946
O=C(O)C1CCC(OC(F)(F)F)CC1	P13954
CCN1CC2CC1CN2	P13955
NC1=NC(F)=C(Br)C=N1	P13872
CCOC(=O)[C@@H]1CCCOC1=O	P14039
OC[C@H]1CCC1(F)F	P13854
CC(C)(C)OC(=O)N1C2CCC(CO)C1CC2	P13727
CCOC(=O)C1=C(O)C=C2C=NNC2=C1	P13729
CC1=CC2=C(N=CC(Br)=N2)N1	P13731
CC[C@]1(O)C[C@@](C)(C(=O)O)C1	P13734
CN1C=C2C=C(O)C(Br)=CC2=N1	P13767
COC1=C(C(=O)/C=C2\C3CCN(CC3)[C@H]2C(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1	P13770
CN(C1CNC1)[C@H]1CCOC1.Cl.Cl	P13782
CN(C1CNC1)[C@H]1CCOC1.Cl.Cl	P13783
C#CC1CCSCC1	P13801
Cl.O=C1CNCC2(CCC2)N1	P13827
Cl.O=C(O)C1C2CNCC1C2	P13834
C[C@H]1CC2(CCN1)OCCO2	P13844
NC1=CC(F)=C(C2=NNN=N2)C=C1	P13848
CC(C)(C)OC(=O)N1CCC2CC(O)CC21	P13850
CC(C)(C)OC(=O)N1CCC2C(O)CCC21	P13851
CCOC(=O)C1CC2CNCC2C1.Cl	P13858
CCOC(=O)C1=C(Br)C2=NC=CC(Cl)=C2N1	P13861
CN1CC2CCC1CN2.Cl.Cl	P13866
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](N)[C@@H]1CC2	P13888
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H](N)[C@H]1CC2	P13889
O[C@H]1[C@H]2CNC[C@@H]1OC2	P13895
OCC1CC2(CCNC2)C1	P13929
O=C(O)C1=C(F)C=NC=N1	P13931
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](N)C1	P13933
CC1=CNC2=C1N=C(Br)C=N2	P13978
CC(=O)N1CC2(CNC2)C1.Cl	P13980
CN1CCC(C)(C2=CC=C(N)C=C2)CC1	P13911
C1CN2CC[C@@H](C2)N1.Cl.Cl	P13919
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)O)[C@H](O)C2	P14009
NC1=NNC(OC(F)F)=C1	P14014
COC(=O)C1C(=O)C2CCC1N2C(=O)OC(C)(C)C	P13937
NC1CC2CCC(C1)O2	P13959
CC(C)(C)OC(=O)NCC12CC(C(=O)O)(C1)C2	P14121
CC(C)(C)OC(=O)N1CCC2(C(=O)O)CC2C1	P13962
CC(C)(C)OC(=O)NC1CCCNC1C(F)(F)F	P13965
COC(=O)[C@H]1CCC1(OC)OC	P14255
COC(=O)C12CCC(C(=O)C1)N2C(=O)OC(C)(C)C	P13968
COC(=O)C1CNCC(C(F)(F)F)C1	P13973
NCC1(C2=C(F)C=CC=C2)COC1	P14080
N#CC1CC(F)C1	P14082
C[C@H]1CNCC1(F)F.Cl	P14084
CN1CC2(CNC2)C1.O=C(O)C(=O)O	P14123
CCOC(=O)[C@@H]1OCCCC1=O	P13988
COC(=O)C1(C2=CC(O)=CC=C2)CC1	P13995
CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@H]2O)N1C(=O)OC(C)(C)C	P14006
O=CCC1CC(F)(F)C1	P14024
CC(C)(C)OC(=O)N1C=CC(Br)=N1	P14043
CC1=NC(C#CC2=CC(Cl)=NC=C2)=C(C)N1C1=CC=C(F)C=C1	P14045
CC1(C)O[C@@H]2C(=O)C=C(COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[C@@H]2O1	P14047
CCOC(=O)C1=C(C)C2=NC=CC(Cl)=C2N1	P14101
CC1([C@H](N)C(=O)O)CC1.Cl	P14104
N#CC12CC(CO)(C1)C2	P14125
O=C(O)[C@H]1C[C@@H]1F	P14126
COC(=O)[C@H]1CC[C@@H]2CC[C@H]1N2	P14158
Cl.NC[C@@H]1CNC(=O)C1	P14159
O=C1NC[C@H](CO)O1	P14223
N#CC[C@H]1CC[C@H](N)CC1	P14151
O=C(O)CCCNC(=O)N1C2=C(C=CC=C2)C[C@H](O)C2=C1C=CC=C2	P14242
CC(C)(C)OC(=O)N1CCC2(CCC(O)C2)C1	P14248
Cl.FC[C@H]1CCCCN1	P14249
ClC1=NC=C(Br)C2=CC=NC=C21	P14251
CC(C)(C)OC(=O)N1CCCC12CC(C=O)C2	P14204
CC(C)(C)OC(=O)N1CCCC12CC(=O)C2	P14206
CC(C)(C)OC(=O)N1CCCC12CC(CN)C2	P14207
CC(C)(C)OC(=O)NC12CCC(C=O)(CC1)OC2	P14356
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)O)C1	P14167
CC(C)(C)OC(=O)N1CC2(CCC(CN)CC2)C1	P14170
CC(C)(C)OC(=O)N1CC2(CCC(C=O)CC2)C1	P14172
CC(C)(C)OC(=O)NC1CCC2(CC1)CNC2	P14174
CC(C)(C)OC(=O)N1CCC2(CCC(CO)CC2)CC1	P14177
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1F	P14178
CCOC(=O)C1=NC2=C(CCN(C(=O)OCC3=CC=CC=C3)C2)O1	P14209
CC(C)(C)OC(=O)NC1C(C)(C)C(=O)C1(C)C	P14210
CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C1(C)C	P14214
CC1(C)[C@@H](O)C[C@H]1N.Cl	P14215
CC1(C)[C@@H](N)C[C@@H]1O.Cl	P14216
CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	P14239
O=C(OCC1=CC=CC=C1)N1C[C@H](O)C(F)(F)C1	P14304
NC1=CC(Cl)=CN=C1CO	P14259
CN1CCC2=C(C1)SC(C(=O)N[C@H]1C[C@H](C(=O)N(C)C)CC[C@H]1NC(=O)C(=O)NC1=NC=C(Cl)C=C1)=N2	P14348
COC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1	P14272
COC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1	P14273
CC(C)(C)OC(=O)N1CC2(CC[C@H](CO)O2)C1	P14281
CC(C)(C)OC(=O)N1CCC12CC(N)C2	P14282
CC(C)(C)OC(=O)N1CCC12CC(N)C2	P14283
CC(C)(C)OC(=O)NC1CC2(CCN2)C1	P14284
CC(C)(C)OC(=O)NC1CC2(CCN2)C1	P14285
CC(C)(C)OC(=O)NC12CC(C=O)(C1)C2	P14287
COC(=O)C12CC(CN)(C1)C2.Cl	P14288
COC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2	P14289
CC(C)(C)OC(=O)NCC12CC(CO)(C1)C2	P14291
CC(C)(C)OC(=O)NCC12CC(CN)(C1)C2	P14292
CC(C)(C)OC(=O)C12CC(C(=O)O)(C1)C2	P14294
CC(C)(C)OC(=O)CC12CC(C(=O)O)(C1)C2	P14296
CNC12CC(NC)(C1)C2.Cl.Cl	P14299
CO[C@H]1CNCC1(F)F.Cl	P14309
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)OC1	P14310
CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@H]2N	P14319
NC1=NNC(C2COC2)=C1	P14324
CN1CCC2=C(C1)SC(C(=O)N[C@H]1C[C@H](C(=O)N(C)C)CC[C@@H]1NC(=O)C(=O)NC1=NC=C(Cl)C=C1)=N2	P14346
CN1CCC2=C(C1)SC(C(=O)N[C@H]1C[C@@H](C(=O)N(C)C)CC[C@H]1NC(=O)C(=O)NC1=NC=C(Cl)C=C1)=N2	P14347
NC12CCC(CO)(CC1)C2	P14357
CC(C)(C)OC(=O)NC12CCC(N)(CC1)C2	P14360
CC(C)(C)OC(=O)NC1C2CCC1CC(=O)C2	P14361
O=C(O)C(=O)O.O=C(O)C[C@@H]1C[C@H]2COC[C@@H](C1)N2.O=C(O)C[C@@H]1C[C@H]2COC[C@@H](C1)N2	P14525
O=C(O)C1=CNC2=NC(Cl)=NC(Cl)=C12	P14430
COC(=O)C1=NC=NC2=C1C=C(C)N2	P14433
Cl.NC1CC2CCC(C1)O2	P14620
CC1=CNC2=NC=CC(C=O)=C12	P14437
OCC1=NC=NC2=C1C=CN2	P14439
Cl.O=C1CCC2(CNC2)N1	P14552
CC(C)(C)OC(=O)N1CC2(CCCC2=O)C1	P14559
Cl.O=C1NC2CCNCC2O1	P14510
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H](F)C1	P14521
Cl.FC(F)[C@@H]1CCCN1	P14708
ClC1=NC2=CN(C3CC3)N=C2C(Cl)=N1	P14487
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=C2N=CNC2=C(Br)C=N1	P14489
CC1(C)CC(C2=CC(N)=NN2)C1	P14502
OCC12CC(C1)C2	P14527
CN1CC2CC(C1)N2.Cl.Cl	P14529
CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)N2	P14532
COC(=O)C1=C2C=C(Cl)N=CC2=CC=C1	P14542
CCCCNC1=NC=C2C(C3=CC=C(CN4CCN(C)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1	P14544
Cl.NC1(C(F)(F)F)COC1	P14547
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CNC[C@H]1C2	P14662
CC1(C)C(=O)NC2=CC(Cl)=NC=C21	P14666
CC1(C)CC(C(=O)O)CC(C)(C)O1	P14668
CC(C)(C)OC(=O)NC12CCC(O)(CC1)CC2	P14669
C[C@@H]1COCCN1C1=CC(=O)N2CC[C@@H](C(F)(F)F)N(CC3=CC(Cl)=CN=C3)C2=N1	P14670
CCOC(=O)C1=CC2=CN=C(Br)C=C2N1	P14760
COC(=O)C1=NNC(I)=C1	P14584
C[C@H]1CNCC2=CC=NN21	P14586
Cl.NC[C@H]1C[C@H](CO)C1	P14793
CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1	P14658
CC(C)(C)OC(=O)N1CCCCC12CC(=O)C2	P14729
Cl.N[C@H]1CCOC[C@@H]1F	P14626
C1=CC=C(CN2CC3CNCC(C2)N3CC2=CC=CC=C2)C=C1.Cl.Cl	P14627
C[C@]1(C(=O)O)C[C@@H](N)C1.Cl	P14629
COC(=O)C1=C(Cl)C=CC([C@@H](N)CO)=C1.Cl	P14633
CN1N=CC(Cl)=C1C1=C(Cl)SC(C(=O)N[C@H](CN)CC2=CC(F)=CC=C2)=C1.Cl	P14643
Cl.Cl.F[C@H]1CNCC[C@H]1N1CCC1	P14673
COC(=O)[C@H]1C[C@H]2CC[C@@H]1N2.O=C(O)C(=O)O	P14688
N[C@H]1CCC[C@@](O)(C(F)(F)F)C1	P14735
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C1=CC=C(O)C=C1	P14851
CC1=CC2=C(N=C1)NN=C2I	P14716
CC(C)(C)OC(=O)N1CC(CF)(C(=O)O)C1	P14932
COC1(C)CCC(C=O)CC1	P14808
CN1C(Br)=NC2=C1C(=O)N(CC(=O)OC(C)(C)C)C(=O)N2	P14815
Cl.OC1CC2CNCC(C1)C2	P14734
CC(C)(C(=O)O)C1CNC1.O=C(O)C(F)(F)F	P14779
CC(C)(C)OC(=O)N1CC2(C(=O)O)CC1C2	P14881
Cl.F[C@H]1CCC12CNC2	P14936
NC1=NNC2=C1C(OCC1=CC=CC=C1)=NC=C2	P14942
BrC1=CC2=C(I)C=NN2C=C1	P14862
CC[C@H]1CCNC1.Cl	P14868
COC(=O)[C@H]1CNCC1(F)F.Cl	P14872
NC1=NC=C(C#CC2=C3N=C(C4=CC=C(C(F)(F)F)C=C4)C=C(C(F)(F)F)N3N=C2)C=C1	P14977
CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1	P15062
CCO[C@@H](CC1=CC=C(OCCN2C(C)=CC=C2C2=CC=C(SC)C=C2)C=C1)C(=O)O	P14958
COC(=O)[C@H]1NC[C@@H]2C[C@H]12.Cl	P15066
NC1=CN=CN=C1C=O	P14889
CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@H](O)C2	P14897
CC1=CNC2=C1C(Cl)=CC(Cl)=N2	P14905
CC(C)(C)OC(=O)N[C@H]1CCCNCC1	P15020
N#CC1=CNC2=C1C(Cl)=CC(Cl)=N2	P15069
COC(=O)C12CCCC(N)(CC1)CC2.Cl	P15186
Cl.NC1C2CCC1CC(O)C2	P14916
FC(F)(F)CN1CC2(CNC2)C1	P14917
Cl.O=C1CCNCC12CC2	P14922
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H](F)C1	P14927
O=C1NC[C@@H]2CNC[C@H]12	P14928
O=C(OCC1=CC=CC=C1)N1CC(C(=O)O)(C2=CC=CC=C2)C1	P14931
O=C(O)[C@@H]1CC2(CC2)CN1	P14934
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCC(F)(F)C1	P14951
CC(C)(C)OC(=O)N[C@@H](CC1CC(F)(F)C1)C(=O)O	P14952
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCC(F)(F)CC1	P14953
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CCC(F)(F)CC1	P14954
CC1(C)CCC(NC(=O)C2=CC3=C(Cl)C=C(Cl)C=C3N2)CC1	P14963
OC1CN(CCCOCCC2=CC3=C(C=C2)SC=C3)C1	P14964
CNC1=NC2=CC(OC)=C(OC)C=C2C(C2=CC=CC(NC(=O)C3=CC=C(C(=O)OC)C=C3)=C2)=N1	P14967
CC(C)(NC(=O)O[C@H]1CN2CCC1CC2)C1=CSC(C2=CC=C(F)C=C2)=N1	P14969
CCCCCCO[C@@H](C)C1=CC=CC(C2=CSC(NC(=O)C3=CC(Cl)=C(/C=C(\C)C(=O)O)C(Cl)=C3)=N2)=C1OC	P14971
CC1(C)O[C@H]2[C@@H](O)C(F)=C(COCC3=CC=CC=C3)[C@H]2O1	P14985
CCCN1C=NC=C1C[S@](=O)C1=CC=C(N)C=C1	P14989
CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(O)C1	P15002
CN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](O)C1	P15004
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](O)C1	P15005
COC(=O)[C@]1(C)CC[C@H](O)CC1	P15007
CC1(N)CS(=O)(=O)C1	P15013
O=C1CC(C(F)(F)F)C1	P15019
C[C@H](O)C1CNC1.Cl	P15030
CC[C@]1(CN)CCN1C(=O)OC(C)(C)C	P15038
CC(C)(C)OC(=O)NC1CCC12CCNC2.Cl	P15042
Br.COC(=O)C1=CC2=C(C=N1)CC(=O)N2	P15045
CC(C)(C)OC(=O)N1C[C@H]2CCNC[C@@H]2C1	P15079
CCOC(=O)C1=CN(C2=C(F)C=C(F)C(N)=N2)C2=C(C=C(F)C(F)=C2)C1=O	P15147
CCOC(=O)C1=CN(C2=C(F)C=C(F)C(N)=N2)C2=C(C=C(F)C(N3CC(O)C3)=C2)C1=O	P15148
CCOC(=O)CC1=CN=C(Br)N=C1	P15081
O=C1CC[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C[C@H]12	P15090
C[C@H]1CN2N=CC(Br)=C2CN1C(=O)OC(C)(C)C	P15097
COC(=O)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1	P15122
CO[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C	P15125
COC(=O)[C@@H]1CC=C[C@H]1NC(=O)OC(C)(C)C	P15126
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C	P15127
NCCCCN1C=C(C2=CC=CC([N+](=O)[O-])=C2)N=N1	P15136
Cl.Cl.Cl.NCCCCN1C=C(C2=CC(N)=CC=C2)N=N1	P15138
Cl.N[C@@H]1CCOC[C@@H]1O	P15155
Cl.O[C@@H]1CNCC[C@@H]1F	P15157
CC1(CN)CCC(F)(F)CC1	P15166
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](N)C1	P15174
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](N)C1	P15175
COC(=O)C12CCC(O)(CC1)C2	P15183
COCC1=NC=C(O)C=N1	P15188
N#CC1=NC=C2NC3=C(C=CC=C3)C2=C1	Y10042
CN1C=C(I)C=C(Cl)C1=O	P15202
CC(C)(C)OC(=O)N1C[C@H](N)[C@H](C2=CC=C(F)C=C2)C1	P15208
Cl.O[C@H]1C[C@@H]2CC[C@H]1N2	P15209
CCC1=NN(C)C(C(=O)NCC2=CC=C(OC3=CC=C(C)C=C3)C=C2)=C1Cl	43131
CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(N[C@H]2CCCC[C@@H]2O)S3)=C1	I10001
CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C(=O)OC(C)(C)C)C1	12526
CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1	20674
O=CC1=CC=C2N=CN=C(Cl)C2=C1	20952
CC(C)(C)OC(=O)NCCCCCC=O	20954
C1=CC=C(CN2CC3CCNC3C2)C=C1.Cl.Cl	21149
CC(C)(C)OC(=O)N1CCC(N2C(=O)NC3=C2C=CC(Br)=C3)CC1	21096
CC(C)(C)OC(=O)N1CC2COCC2C1	21260
COC1=CC(NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C2=CC(NC(=O)C(C)(C)N)=CC=C2)=C(Cl)C=C1	44116
CC(C)[C@H](CO)NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=CC(Cl)=C2)=N1	44086
CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1	44045
O=C(C[C@H]1NCCC[C@@H]1O)CN1C=NC2=CC(Br)=C(Cl)C=C2C1=O	44055
O=C(CCCCCCNC(=O)C1=CN=C(N(C2=CC=CC=C2)C2=CC=CC=C2)N=C1)NO	44004
CC[C@@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1	44091
O=C(O)CC1=NN(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=CC=C2	44096
CN(C)[C@@H]1C2=C(C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]13)C(OCC1=CC=CC=C1)=NO2	44103
C[C@H]1CCCC(=O)CCCC=CC2=CC(O)=CC(O)=C2C(=O)O1	44119
N#CC1=CC(OC2=C(Br)C=CC(CC(=O)O)=C2F)=CC(Cl)=C1	F10436
N#CC1=NC=C(Cl)C=C1C(F)(F)F	F10576
FC(F)(F)OC1=CC(I)=CC(Cl)=N1	F10577
CC1=NOC=C1B(O)O	F10578
CC(C)(C)OC(=O)N1CC(=O)C2(CC2)C1	F11183
C[C@@H](CO)C1CCC2C(O)CCC[C@]21C	F11360
CC1=CC=CC(/C=N/NC2=NC3=CC(C4=CC=NC=C4)=NN3C(N3CCOCC3)=C2)=C1	F11463
CCN(CC)C(=O)CC1=CSC(NS(=O)(=O)C2=CC=CC(Cl)=C2C)=N1	F11469
CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC(N)=C4C=C3CN1C2=O	F11420
CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=NC=CC=C3)=N2)=C1.CS(=O)(=O)O.CS(=O)(=O)O	F11475
CC1=CC2=C(C=CC(C(=O)O)=C2)N1	I10098
O=C1NC2=C(C=C(C(=O)O)C=C2)C(=O)O1	I10433
CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)O)CCC2=O)CC1	I10390
CC(C)[C@@H](C(=O)O)N1CCCNC1=O	I10429
O=C(O)C1=CN2C=NN=C2C(Br)=C1	I10512
NC1=CC=CC2=C1CCCCC2=O	I10591
N[C@H]1CCCC2=C1C=C(Cl)C=C2	I10623
CC(C)(C)OC(=O)N1CCC[C@H](C2=CC=C(C(=O)O)C=C2)C1	I10552
BrC[C@H]1COC2=C(C=CC=C2)O1	I10587
O=C(O)C1(C2=CC3=CC=CN=C3C=C2)CC1	I10740
C[Si](C)(O)C1=CC=C(OC2=CC=C([Si](C)(C)O)C=C2)C=C1	I10783
O=C1NCC2CC[C@@H]1N2	I10808
N[C@H]1CCCOC2=C1C=CC=C2	I10902
FC1=NC=CC2=C1C=CN2	I11120
Cl.N[C@H]1COC2=C1C=CC=C2	I11132
N#CC1=CC([N+](=O)[O-])=C2C=CNC2=C1	I11198
C[C@H](N)C1=CC=C(C#N)C=C1	I11173
NC1=NC=CC2=C1NC=C2	I11178
NC1=C2NC=CC2=CN=C1	I11180
O=C(O)C1=CC=CC2=NC3=C(C(=O)O)C=CC=C3N=C12	I11237
COC1=C(F)C=C2C=NNC2=C1	I11266
COC1=C(Cl)N=C(Cl)N=C1C(=O)O	C10031
NC1=C2NC=CC2=C(F)C=C1	I11398
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@@H]12)C1=CSC(N)=N1.Cl	42533
N[C@H]1CCOC2=C1C=C(F)C=C2	Y10105
IC1=CC2=NC=CC=C2N=C1	Y10070
CN1CCC[C@H](N)C1=O.Cl	Y10111
O=C1C2=C(C=CC(C3=CC=C(OC(F)(F)F)C=C3)=C2)OCCN1CC1=NC=CC=N1	42559
FC1=C(Cl)C=CN=C1Br	Y10117
CC1=CC(NC2=NN3C(=NC(C)=C3CC3=C(F)C=C(Cl)C=C3)C(CN3CCOCC3)=C2)=NN1	42560
Cl.Cl.NCC1=CC(C(N)=O)=CN=C1	Y10183
Cl.N[C@H]1CCC2=C1C=CC(F)=C2	Y10271
CCOC(=O)N[C@H]1CC[C@H]2[C@H](C1)C[C@@H]1C(=O)O[C@@H](C)[C@@H]1[C@@H]2/C=C/C1=NC=C(C2=CC=CC(F)=C2)C=C1.O=S(=O)(O)O	42531
COC1=CN2N=CC(C#N)=C2C(Br)=C1	52135
Cl.O=C(O)C12CCNC1C2	91926
C[C@H](N)C1=NC=C(F)C=C1	Y10226
CC(C)(C)OC(=O)NC1CC(O)C2=C1C=CC=C2	Y10178
N#CC1=C2NC3=C(C=CC=C3)N2N=C1	Y10180
CC1=CC(C(=O)O)=NC(C)=C1	Y10195
N[C@H]1CC2=CC=CC(F)=C2C1	Y10224
COC1=C(F)C([C@H](C)N)=CC=C1.Cl	Y10290
CC[C@H](N)C1=C(F)C=CC=C1F.Cl	Y10299
Cl.NC(=O)C1=C(NC2=CC(N3N=CC=N3)=CC=C2)N=C(N[C@H]2CCCC[C@H]2N)N=C1	41361
Cl.N#CC1=C2CC[C@H](N)C2=CC=C1	Y10314
COC1=C(F)C=C(CCC(=O)O)C=C1	Y10323
N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)(F)F	Y10329
NC1=NC(F)=NN2C(Br)=CC=C12	F30123
N#CC1=CC(F)=C(Br)C=C1O	CL9666
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=C(C=CC=C2)N(CC(=O)O)C1=O	42534
CCNC(=O)OC1CCN(C2=NN=CC3=CC(OC)=C(OC)C=C32)CC1	41338
CC[N+]1=C(/C=C/C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2	41342
C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O	41349
C=CC(=O)N1CCC(OC2=C(OC)C=C3N=CN=C(NC4=CC=C(Cl)C(Cl)=C4F)C3=C2)CC1	41360
OC(C1=CC=CC=C1)(C1=CC=CC=C1)[N+]12CCC(CCOCC3=CC=CC=C3)(CC1)CC2.[Br-]	41370
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCN(C3=CC=CC(Cl)=C3)CC2)=C1	41376
CCC(C(=O)O)C(CC)C(=O)O	F11636
C1=CC2=C(S1)C1=C(C=CS1)N2	F11810
CCCN1N=C(C)C=C1B1OC(C)(C)C(C)(C)O1	F11747
OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CCN(CC1)CC2	F11916
CC1=CC(C)=C(O)C2=NC=CC=C12	F11825
CC1=CN=C2C=C(Br)C=CC2=C1	K10052
FC(F)C1=CN=C2C=C(Br)C=CC2=C1	K10056
CC1=NC(Cl)=CNC1=O	F11838
CC1=CC(NC2=NC(NC3=C(S(=O)(=O)C(C)C)C=CC=C3)=C(Cl)C=N2)=C(OC(C)C)C=C1C1CCNCC1.Cl.Cl	F11840
FC1=C2C(Br)=CC=CC2=CN=C1	K10006
O=C(O)C1=CC(Cl)=CC2=NC=CC=C12	K10007
FC1=CC=C2C(Br)=CN=CC2=C1	K10011
CC(C)(C)C1=NC(C2=C(F)C(NS(=O)(=O)C3=C(F)C=CC=C3F)=CC=C2)=C(C2=CC=NC(Cl)=N2)S1	F11993
COC(=O)C1=CC2=CC(C(C)=O)=CC=C2N=C1	K10014
ClC1=CC=C2C(Br)=CN=CC2=C1	K10019
COC1=CC(OC)=C(CNC2=NC=NS2)C=C1	F11987
CC(=O)NC1=CC=CC(NC2=C(C)C(=O)N(C)C3=C2C(=O)N(C2CC2)C(=O)N3C2=C(F)C=C(I)C=C2)=C1	F11992
COC(=O)C1=NN2CCCNC(=O)C2=C1	F11976
O=S(=O)(Cl)C1=CC2=NC=C(Cl)C=C2C=C1	K10026
NC1=C2C=CC(Cl)=CC2=CN=C1	K10020
CC(=O)C1=CC=C2N=CC(Cl)=CC2=C1	K10022
NC(=O)C1=CC=C2N=CC(Br)=CC2=C1	K10024
O=CC1=CC=C2N=CC(Br)=CC2=C1	K10025
O=S(=O)(Cl)C1=CC=CC2=NC=C(Cl)C=C12	K10035
CS(=O)(=O)C1=CC=C2C=C(Br)C=NC2=C1	K10038
CS(=O)(=O)C1=CC2=NC=C(N)C=C2C=C1	K10039
CS(=O)(=O)C1=CC=CC2=NC=C(N)C=C12	K10040
CS(=O)(=O)C1=CC2=NC=C(O)C=C2C=C1	K10047
Cl.NC1(CCO)CC1	50078
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)O	50084
C=C1CNC2(CCC2)C1.Cl	50319
O=C[C@@H]1CCC2=C(C=CC=C2)O1	50359
CC1=C(Br)C2=C(C=C1)NN=C2N	51611
CCOC(=O)C1=CN2CCCNC(=O)C2=C1	50461
CCOC(=O)C1=CN2CCCNCC2=C1.Cl	50465
NC1=C(S)C=CC(Br)=C1	50511
COC1=CC2=C(C=C1)CCCNC2	51183
Br.OC1=CC2=C(C=C1)CNCCC2	51207
O=C1NCCCC2=C1C=CC(Br)=C2	51222
BrC1=CC2=C(C=C1)CNCCC2.Cl	51224
N[C@@H](CCCO)C(=O)O	51288
CC1(C)OB(C2=CN=C3NCCCC3=C2)OC1(C)C	51325
C[C@@H]1NCCN2C1=NN=C2C(F)(F)F	51473
CC1=CC(Cl)=C2C(=C1)NN=C2N	51628
NC1=NNC2=C1C(Cl)=C(F)C=C2	51642
CC1=CN=CC(C)=C1CO	51705
CC1(C)CC2=C(C=CC=C2)[C@H]1O	51923
ClC1=NC=CC2=C1CCCC2	53693
C[C@H]1C(=O)CCN1C(=O)OC(C)(C)C	52104
CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)CC1	54687
Cl.OC[C@H]1CNCCCO1	53531
CC(C)(C)OC(=O)N1CCCO[C@@H](CO)C1	53533
ClC1=C2C=CCC2=CC=C1	53579
CSC1=NC=C2C=CN=C(Cl)C2=N1	53603
OC1=CC=CC2=C1C=CO2	53817
CC1=CC=C2C(O)=CC=CC2=C1	53842
O=C(O)C1=CC=C2C(Br)=CC(F)=CC2=C1	53847
FC1=C(Br)C(Cl)=CC2=C(Cl)N=CN=C12	53889
NC1=CC(Br)=CC(F)=C1C(=O)O	53929
NC1=CC(Br)=CC(F)=C1C=O	53935
O=C(O)[C@H]1C[C@@H](C(=O)O)C1	54030
CN1C=NC2=C1C(I)=C(N)N=C2N(C)C(=O)OC(C)(C)C	54074
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)O)C2)C1	54678
C=C[C@@H]1COC(=O)N1	54688
C=C[C@@H]1COC(=O)N1	54690
O=C1NC=CC2=C1CCCC2	54630
O=C1NC=C(Br)C2=NC=CC=C12	54640
OC1=NC=C(Br)C2=NC=CN=C12	54650
COC1=C2NC(=O)COC2=C(Br)C=N1	54660
CN1C=NC2=C(Cl)N=CC(Br)=C21	54666
FC1=CC2=C(Cl)N=C(Cl)N=C2C=C1Br	54730
COC(=O)C1=NNC2=CC(Cl)=C(Br)C=C21	54743
CCOC(=O)N1N=C2C(=C1N)CN(C(=O)OC(C)(C)C)C2(C)C	54864
CC1(C)OB(C2=CC=C(C(F)(F)F)S2)OC1(C)C	54938
CC(C)(C)OC(=O)N[C@H]1CCC2=C1C=CC(Br)=C2	54945
CC(C)(C)OC(=O)N[C@H]1CCC2=C1C=CC(Br)=C2	54946
CC(C)(C)OC(=O)N[C@H]1CCC2=C1C=CC(Br)=C2	54948
CC(C)(C)OC(=O)NCC12CCC(C(=O)O)(CC1)CC2	54974
COC(=O)C12CCC(CN)(CC1)CC2	54975
O=C(O)C12CCC(Br)(CC1)CC2	54980
COCC1=CC(Cl)=CN=C1C(=O)O	55142
O=C(O)C1=NC=C(C(F)F)C=C1	55086
C#CC1=CN=C(C(=O)O)C=C1	55104
CC1=CSC(C2=NN=C(NC3=CC=C(OC4=NC=CC=C4C4=NC(N)=NC=C4)C=C3)C3=CC=CC=C32)=C1	55138
COC(=O)C1=CC2=C(B3OC(C)(C)C(C)(C)O3)C=NN2C=C1	55175
O=C(O)C1=CC=C(O)C2=NC=CC=C12	55461
CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H](CO)C1	55150
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@H]2C1	55152
CN1CCN(CC2=CN=C(N)C=C2)CC1	55163
OCC1=CC=CN2C=NC=C12	55178
Cl.ClCC1=CC=CN2C=NC=C12	55179
C[C@@H]1C[C@@H]1C(=O)O	55219
C[C@@H]1C[C@@H]1CO	55221
NC1=NC2=NC=CN2C=C1	55322
CC(C)(C)OC(=O)N1CCN2N=C(N)C=C2C1	55326
CCOC(=O)C1=CC2=C(CC(F)(F)CC2)N1	55356
FC1=CC=C2C=C(Br)C=CC2=N1	55503
OB(O)C1=CC2=C(N=C1)NC=C2F	55537
CC(C)(C)OC(=O)N1CCC[C@](C)(CO)C1	55567
CC(C)(C)OC(=O)N1CCC[C@](C)(CO)C1	55577
CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)O)C1	55579
CC[N+]1=C(/C=C/C=C/C=C/C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2	42321
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(C2=NC=CC=N2)CC1	42336
C=CCC[C@](C)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	F12101
CC1=CC(S(=O)(=O)Cl)=C(F)C=C1Cl	CL9600
CC(C)CN(C[C@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)S(=O)(=O)C1=CC=C(N)C=C1.CCO	42323
CC[N+]1=C(/C=C/C=C2\N(CCCCCC(=O)O)C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2	42315
CCN(C(C)C)C(C)C.CC[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C=C(S(=O)(=O)[O-])C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)O)=C2	42318
O=C([O-])C1=C(C2=C3C=C4CCC[N+]5=C4C(=C3OC3=C2C=C2CCCN4CCCC3=C24)CCC5)C=CC(C(=O)O)=C1	F12249
CC(C)CN(C[C@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)S(=O)(=O)C1=CC=C(N)C=C1	42322
Cl.O=C1C2=C3C(=CC=C2)CCC[C@H]3CN1[C@H]1CN2CCC1CC2	42329
NC1=NC2=C(N=CN2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(S)=N1	42341
CC1=C(CO)N=C(Br)S1	F12057
CC(C)(C)OC(=O)NCCCC[C@](C)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	F12090
CC(C)(C)OC(=O)N1C=C(C[C@](C)(NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)C2=C1C=CC=C2	F12124
C/N=C(\NC)NCCC[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	F12131
CCCCCCCCCCCCCCCCCCN1C2=C(C=CC=C2)C(C)(C)/C1=C\C=C\C=C\C=C\C1=[N+](CCCCCCCCCCCCCCCCCC)C2=C(C=CC=C2)C1(C)C.[I-]	F12144
O=C(O)C1=CC(OC(F)(F)F)=NC=C1	F12161
N#CC1=CC=C(C(=O)O)C(F)=C1F	F12228
O=C(O)C1=CC(C(F)(F)F)=CN=N1	F12236
O=C(ON1C(=O)CCC1=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(C=C(O)C=C2)OC2=C1C=CC(O)=C2	F12247
CN(C)C1=CC=C2C(=C1)[O+]=C1C=C(N(C)C)C=CC1=C2C1=C(C(=O)[O-])C=C(C(=O)O)C=C1	F12248
COCCO[C@H]1[C@@H](O)[C@H](COC(C2=CC=CC=C2)(C2=CC=C(OC)C=C2)C2=CC=C(OC)C=C2)O[C@@H]1N1C=CC(=O)NC1=O	F12256
CN(C)C1=CC=C2C(=C1)[O+]=C1C=C(N(C)C)C=CC1=C2C1=C(C(=O)[O-])C=CC(C(=O)ON2C(=O)CCC2=O)=C1	F12264
CN(C)C1=CC2=C(C=C1)C(C1=C(C(=O)[O-])C=CC(C(=O)ON3C(=O)CCC3=O)=C1)=C1C=CC(=[N+](C)C)C=C1O2	F12265
COCCO[C@H]1[C@@H](O)[C@H](COC(C2=CC=CC=C2)(C2=CC=C(OC)C=C2)C2=CC=C(OC)C=C2)O[C@@H]1N1C=C(C)C(NC(=O)C2=CC=CC=C2)=NC1=O	F12369
COCCO[C@H]1[C@@H](O)[C@H](COC(C2=CC=CC=C2)(C2=CC=C(OC)C=C2)C2=CC=C(OC)C=C2)O[C@@H]1N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O	F12370
OB(O)C1=CC=C(C2COC2)C=C1	F30349
COC(=O)C1=NC=CC(C(F)F)=N1	F30414
O=C(O)C1=NC=CC(C(F)F)=N1	F30415
COC1=NC=NC=C1CO	F30437
OCC1=C(C(F)(F)F)N=CO1	F30344
COC(=O)C1=C(N)C(Br)=NC=C1	F30315
CC1(C)OB(C2=CC(C3COC3)=CC=C2)OC1(C)C	F30351
O=C(O)C(F)(F)C1CC1	F30353
CN(C)C(=O)C1(CBr)CC1	F30358
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NN=C1	F30458
N#CC1=NC=CC(C(F)F)=N1	F30410
Cl.O=C1C=CC=C2CNCCN12	F30423
BrC1=CC(Br)=NC2=C1NN=C2	F30483
CC1(C)CCN[C@@H]1C(=O)O	F30667
CNC(=O)C1(CBr)CC1	F30426
CC1=CC(CCl)=NN=C1.Cl	F30431
COC1=NN=CC=C1CO	F30441
COC1=C(CCl)C=CN=N1.Cl	F30442
CC1=NN2CCN[C@@H](C)C2=N1	F30490
O=C1NC2(CC2)CO1	F30496
O=C(O)CN1C(=O)OCC12CC2	F30497
Cl.NC1CCC2CC12	F30521
CC1=C(CO)C=CN=N1	F30531
COC1=CC(C(=O)O)=NN=C1	F30535
CC(C)(C)OC(=O)N1CC2CNCC1C2	F30556
CCOC(=O)C1=C(F)NC=N1	F30601
COC(=O)C1=CC2=CC=NN=C2C=C1	F30687
ClC1=CC=C(Br)C2=NC=NN12	F30705
NC1=C2OC=CC2=CC=N1	F30710
ClC1=NC2=C(Cl)N=CC=C2C(Cl)=N1	F30729
CC1(C)CC(=O)C2=C(C=CC(Br)=C2)C1	F30731
NC1=NNC([C@H]2CC2(F)F)=C1	F30753
NC1=C2N=C(Cl)C=CC2=NC=N1	F30759
CC(C)C1=CC2=C(C=C1)NC=C2CCN	F30765
BrC1=NC2=CN=CC=C2C=C1	F30772
CCOC(=O)C1C2COCC21	F30796
OC1=NC=C(OC(F)(F)F)C=C1	F30845
CN1CCCC2NCCC21	F30883
CN1CCC2CCNC2C1	F30887
COC(=O)C1CCC(C(C)=O)CC1	F30866
O=C(O)CCC1=C(Br)C=CC=N1	F30873
CN[C@H]1CC[C@H](N(CC2=CC(C3=CC=NC=C3)=CC=C2)C(=O)C2=C(Cl)C3=C(C=CC=C3)S2)CC1	42352
CCOC(=O)CC1(CN)COC1.O=C(O)C(=O)O	F30878
C1=CC=C(CN2CCN3CCC2C3)C=C1	F30914
OCC1CCCC(C(F)(F)F)N1	W10045
CC(=O)C1=CC(N)=CC(C(C)=O)=C1	W10067
CSC1=NC2=C(C=N1)C=C(C1=C(Cl)C=CC=C1Cl)C(=N)N2C	F30973
ClC1=NC=CC2=C(Cl)N=CN=C12	F30982
C#C[C@@H](N)CO.Cl	F30988
O=C1C2=C(C=CC=C2)C2CC1C2	F30992
CC(C)(C)OC(=O)N1C[C@H](CN)OC(C)(C)C1	SC5032
CC(C)(C)OC(=O)N1C[C@H](CN)OC(C)(C)C1	SC5036
C1=CC2=NC(=C1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.[Cl-].[Cl-].[Mn+2]	42347
C[C@H](NC1=NC=NC2=C1N=CN2)C1=C(C2=NC=CC=C2)N=C2C=C(F)C=CC2=C1	42355
Cl.NC1CCC2(CCCC2)CC1	W10127
COC[C@H](CN)NC(=O)OC(C)(C)C	W10024
O=S(=O)(C1=CC=CC=C1)C1=CC2=CC=CC(N3CCNCC3)=C2N=C1	42563
N[C@H]1CC[C@H](O)C1	W10025
Cl.NC12CC(C(F)(F)F)(C1)C2	W10033
C[C@H]1C[C@H](CN)CN1C(=O)OC(C)(C)C	W10036
C[C@H]1C[C@H](O)CN1.Cl	W10041
C[C@@H]1C[C@H](O)CN1.Cl	W10042
C[C@H]1C[C@H](F)CN1.Cl	W10043
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)O)C1(C)C	W10188
C1CC2CNC1CO2.Cl	W10120
O=C(O)/C=C/C(=O)NC1=CC=C(C2=CC=C(NC(=O)/C=C/C(=O)O)C=C2)C=C1	W10192
CC(C)(C)OC(=O)NC1=NC=CC(N)=C1	W10161
ClC[C@H]1CN(CC2=CC=CC=C2)CCO1	W10369
COC(=O)C1=C2C=NC=CN2C(C)=N1	W10242
O=C(O)C1=NN(C2=CC=CC(F)=C2)C=N1	W10255
CCOC(=O)C1=CN(C)N=C1C1CC1	W10281
CCOC(=O)C1=CN=C2C=COC2=C1	W10291
CC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C2=NC=C(Br)C=C12	W10363
CCOC(=O)CC1=CC(Br)=CC(C#N)=C1	W10422
CC(C)(C)OC(=O)N1CC[C@H](O)CC(=O)C1	W10348
OCC1=COC(C2CC2)=N1	W10523
COC(=O)C1=CC=C(OCCCO)C=C1	W10526
ClCC1=NC(C2=C(Br)C=NC=C2)=NO1	W10398
CC1(C)[C@H]2C[C@H](O)C[C@H]21	W10534
COC(=O)[C@@H](N)C(C)(C)NC(=O)OC(C)(C)C	W10633
CC1=NC2=CC=CC(C)=C2C(Cl)=C1	W10450
CC1=C(C)C2=C(N=CN=C2Cl)N1	W10456
C[Si](C)(C)CCOCN1C=CC2=CC(Br)=CN=C21	W10469
O[C@H]1COCC2=CC(Br)=CN=C21	W10479
CC(C)C1=CNC2=NC=C(Br)C=C12	W10480
CCC1=C(CO)C=CC(C#N)=C1	W10517
CC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1N	W10594
NC1=NC2=C(SC(=O)N2)C(=O)N1	W10727
CN(C)CC1=CC(F)=CC(CO)=C1	W10897
CC(C)(C)OC(=O)N1CC[C@@](N)(CCO)C1	W10901
O=C(O)C1=C(C(F)(F)F)N2N=CC(C3=CC=NC=C3)=C2N=C1	W10762
CC(C)N1C=C(C(=O)C2=CC(Cl)=NC=C2)C2=C1C=CN=C2	W10763
NC1=NN2C(C3=CC=CC(F)=C3)=CN=CC2=N1	W10777
CSC1=NC=NN2C(Br)=CC=C12	W10950
CS(=O)(=O)CC1=NC=C(C(=O)O)C=C1.Cl	W10808
CN1C=CC(C2CCNCC2)=N1.Cl.Cl	W10811
COC(=O)C1=CC(Br)=CN1/N=C(/N)CCl	W10816
COC(=O)[C@H](CC1=CC(I)=C(OC)C=C1)NC(=O)OC(C)(C)C	W10846
C#C[C@H]1CC[C@@H](C#N)N1C(=O)CCl	W10890
CSC1=NC=NN2C=CC=C12	W10949
CN1C2=C(C=CC=C2)S/C1=C/C1=CC=[N+](CCCCCCCCCCC(=O)O)C2=CC=CC=C12.[Br-]	W10982
CC1=NC2=CC=CC(Cl)=C2C(=O)O1	W11099
CN1N=C(O)C=C1C#N	W11024
COC(=O)C1=CN=C2C=COC2=C1	W11040
COC(=O)C1=C(OC)N=C(SC)N=C1	W11055
CC(C)(C)OC(=O)N1CCC2=C(CC1)NN=C2	W11189
COC(=O)[C@@H]1CCC2=C(C=CO2)C1=O	W11159
O=C1C2=C(C=CC=C2)[C@]2(C3=CC=C(Cl)C=C3)NCCN12	W11112
CC(C)(C)C1=NC(Cl)=NC(C(C)(C)C)=N1	W11139
O=C(O)C1CCC2=C(C=CC=C2)C1O	W11169
O=C1NCCCC[C@]1(O)C1=CC=CC=C1	W11185
CCCCCCCC1=CC(=O)C2=C(C=CC=C2)N1	W11284
COC(=O)[C@@H]1CNC(=O)C1	W11287
COC(=O)[C@@H]1CNC(=O)C1	W11289
COC1=CC=C(CN2C(=O)N(C)C(=O)C3=CNN=C32)C=C1	W11269
CC(C)(C)OC(=O)N[C@@H]1COC(=O)C1	W11302
COC1=CC(N2C=NC=N2)=CC(N)=C1	W11304
CC1(C)NC(=O)N(C2=CC(C(F)(F)F)=C(F)C=C2)C1=O	W11309
C#C[C@]1(O)CCN(C)C1=O	W11318
CC1(CNC(=O)OC(C)(C)C)CCN(CC2=CC=CC=C2)CC1	W11320
O=CC1=C(Br)C=CC(OC(F)F)=C1	W11327
O=C1C=NC2=CC=C(F)C(F)=C2N1	W11328
CC1=CC2=C(C=C1[N+](=O)[O-])N(C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N=C2Br	W11341
C[C@@]1(C(=O)OCC2=CC=CC=C2)CO1	W11344
O=C(OCC1=CC=CC=C1)N1CC2=NOC[C@@H]2C1	W11330
O=C(/C=N/O)NC1=CC=CC(F)=C1F	W11422
Br.NC(=O)C12CCN(CC1)C2	W11427
CCNC(=O)/C=C(/C)C1=C(Cl)C(OC)=C(Cl)C(/C(C)=C\C(=O)NCC2=CC=C(OC)C=C2)=C1	W11496
COC1=C(Cl)C(=O)N(C)N=C1	W11363
O=C(O)C1=C(O)C2=C(C=C1)SC=C2	W11369
CC(C)(C)OC(=O)NCCN1N=C(C2=CC=CC(Cl)=C2)C2=C1C(=O)N1C=CC=CC1=N2	W11404
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C(C2=C(Cl)C=C(F)C=C2)=NN1CCNC(=O)OC(C)(C)C	W11406
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C(C2=CC=C(Cl)C=C2)=NN1CCNC(=O)OC(C)(C)C	W11407
COC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCC2=CC=C1	W11416
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCC1=CC=C(CC(=O)O)C=C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	W11492
CON(C)C(=O)C1=C(O)C(C2=CC=CC=C2)=CC=C1	W11379
COC(=O)C1=CN2C=CN=C2C=C1OC	W11389
CCC(=O)C1=CN=C(OC)C=C1	W11395
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C(C2=CC=CC(Cl)=C2)=NN1CCNC(=O)OC(C)(C)C	W11403
COC(=O)[C@@H]1CCC2=C(C=CS2)C1=O	W11412
CC(C)(C)OC(=O)C[C@H](NS(=O)C(C)(C)C)C1=CN=C(OC(F)F)C=C1	W11457
CON(C)C(=O)CC1=C(F)C=CC=C1F	W11519
CN(C)C1=CC=C(NC(=O)C2=CC=CNC2=O)C=C1	W11531
NC(=O)NC1=CC=C(C[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)C=C1	W11485
CC(C)(C)OC(=O)N1CCC(/C=C/B2OC(C)(C)C(C)(C)O2)CC1	W11506
COC(=O)C1=CC(Br)=C(N)C=N1	W11515
O=C(NCCO)C1=CC=CC2=C1CCN2C1=NC=CC(CC2=CC(F)=C(F)C(F)=C2)=C1	W11584
CCOC(=O)[C@H]1CCC2=C(C1)OC=C2	W11586
CCOC(=O)C1=CC2=C(C=CO2)CC1	W11587
COC(=O)C1=CC(Br)=CC(NC2CCOCC2)=C1C	W11529
CC(C)C1=CC(C(C)C)=C(CO)C=C1CO	W11542
O=C(NCC1(F)CCNCC1)OCC1=CC=CC=C1	W11736
CC12CN(C(=O)OCC3=CC=CC=C3)CCC1C2(F)F	W11737
O=C(O)C1=CC(F)=CN1	W11739
CC(=O)OC[C@H]1O[C@@H]2OC(C)=N[C@@H]2[C@@H](OC(C)=O)[C@H]1OC(C)=O	W11575
CC(C)(C)OC(=O)C(O)(CC(=O)O)CC(=O)O	W11577
CCOC(=O)[C@@H]1CCC2=C(OC=C2)C1=O	W11593
Cl.O=C(C1=C(Cl)C=C([N+](=O)[O-])C=C1)N1CCNCC1	W11594
CCS(=O)(=O)C1=NC=C(CN)C=C1.Cl	W11601
BrC1=NC2=C(C=C1)N([C@@H]1CCCCO1)N=C2	W11602
CCC1=CC(CC)=C(C(=O)O)C=C1	W11605
CCC1=CC(CC)=C(C(=O)OC)C=C1	W11606
CC1=CC(C)=NC2=NC(OCCOC3=CC=C(Cl)C=C3)=NN12	42574
COC1=CC=C([C@H]2OC3=C(C=C(Br)C=C3)[C@H]2C2=CC(OC)=CC(OC)=C2)C=C1	W11617
CCOC(=O)CCC1=CC(F)=C(Br)C=C1	W11619
CC(C)(C)OC(=O)NCC(=O)OCC1=CC=CC=C1	W11663
CC(C)C1=NOC(N2CCC(COC3=CN=C(C4=CC=C(S(C)(=O)=O)C=C4)C=C3)CC2)=N1	W11669
COC1=NC(OC)=C([C@H]2CCCC(=O)C2)C=N1	W11695
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCC2=CC=CC=C2)CC[C@@H]1F	W11718
N#CC1(C2=CC=CN=C2Cl)CCN(CC2=CC=CC=C2)CC1	W11719
O=C(NC1=CN2C(C3=CC(F)=C(CN4CCS(=O)(=O)CC4)C=C3)=CC=CC2=N1)C1CC1	42564
O=CC1=C(F)C=CC=C1C1=CN(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=N1	P15216
CC[C@H]1[C@@H](COC2=NC=CC3=CC(C(N)=O)=C(OC)C=C32)NC(=O)[C@H]1F	42569
COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC(NCC(=O)O)=C(OC)C=C2)C(OC)=C1	42571
OC1=C2C=CC=C(Br)C2=CN=C1	K10061
CN1CCN(CC2=CC=C(C3=CN([C@H]4CC[C@H](O)CC4)C4=NC(NCCC5CC5)=NC=C34)C=C2)CC1	42576
OC[C@@H]1O[C@H](N2C=NC3=CN=CN=C32)[C@@H](O)[C@H]1O	41431
CNC(=O)[C@H](C1=CC=CC=C1)N1CCC2=C(C=C(OC)C(OC)=C2)[C@@H]1CCC1=CC=C(C(F)(F)F)C=C1	89376
C[C@H]1CN(CC2=CC=CC=C2)C[C@@H](C)C1=O	F14384
Cl.O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1	P16397
O=C(O)C[15NH]C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	41410
CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@H]2C[C@H]21	P16414
CC(C)(C)OC(=O)N1CCN[C@H](C(=O)O)CC1	F14402
C[C@H](O)[C@@H]1CNCCN1CC1=CC=CC=C1	79802
CCCN(CCC)CC1=NC(C2=C3CN(C)C(=O)C4=C(C=CC(F)=C4)N3C=N2)=NO1	41434
CC(C)(C)OC(=O)CCC=O	R10009
CS(=O)(=O)C1=CC2=CC(N)=CN=C2C=C1	K10063
OC1=CC=C2C(Br)=CN=CC2=C1	K10068
CCOCCN1C(C2CCN(CCC3=CC=C(C(C)(C)C(=O)O)C=C3)CC2)=NC2=C1C=CC=C2	41440
CCOC(=O)CC(C)(C)CN.Cl	21300
CCOC[C@@]12CC3=C(C=C1CCN(S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C2)N(C1=CC=C(F)C=C1)N=C3	42502
CCOC1=CC(F)=C(Cl)C=C1C(=O)NCC(C)(C)CC(=O)NC1=C(COC)N(C)N(C2=CC=CC=C2)C1=O	21317
CC1=CC=C(S(=O)(=O)N2C=C(C(F)(F)F)C3=C(Cl)C=CN=C32)C=C1	Y10375
COC(=O)[C@@H]1CC[C@@H]1N.O=C(O)C(F)(F)F	P15218
[2H]C1=C([2H])C([2H])=C(O)C([2H])=C1[2H]	41492
CC[C@H]1CCCCN1.Cl	Y10393
O=C(O)C1=C(Cl)N=C(Br)S1	Y10484
CN1C=NC(C2=CC3=NC=CC(OC4=C(F)C=C(NC(=S)NC(=O)CC5=CC=CC=C5)C=C4)=C3S2)=C1	40040
CNC(=O)C1=C(OC2=C(Br)C=NC(NC3=CC(OC)=C(OC)C(OC)=C3)=N2)C=CC=C1	40041
NS(=O)(=O)NCCNC1=NON=C1/C(=N\O)NC1=CC(Br)=C(F)C=C1	40042
CC1=CC(F)=C(C(=O)NC2=NC(C3=NN=CN3C(C)C)=CC=C2)C=C1N1C=NC(C2CC2)=C1	40038
COC1=C(OC)C=C2C(=C1)CCN1C[C@H](CC(C)C)[C@H](O)C[C@@H]21	P16428
Cl.Cl.N[C@@H](C[C@H](N)C(=O)O)C(=O)O	P16435
O=C1CC2(CCN1)CCN(CC1=CC=CC=C1)CC2	F14431
COC1=CC=CC2=CC=CC(O)=C21	F15621
COC1=CC=CC2=CC=CC(OC)=C21	F15627
CC1CCC(C)C1N	F12413
CN1CCC[C@H](CO)C1=O	F14435
Cl.Cl.F[C@H]1CCN(C2CNC2)C1	P16443
N[C@@H]1COCC[C@@H]1O	P16446
O=C1C=CN([C@H]2O[C@@H](CI)[C@H](O)[C@@H]2O)C(=O)N1	F12674
CC1=C2N=CN([C@@H]3C[C@@H](O)[C@H](CO)O3)C2=NC=N1	F12837
O=C1NCC2=C1C1=C(C=CC=C1)N2	F14441
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1F	P15609
N[C@@H]1CCC[C@H](NC(=O)OCC2=CC=CC=C2)C1	W11756
O[C@@]1(C2=CC=CC=C2)CCNC1	W11764
COC(=O)CCC1=C(C)NC(C(=O)OC(C)(C)C)=C1C	W11775
COC1O[C@@H](COCC2=C(Cl)C=C(Cl)C=C2)[C@H](OCC2=C(Cl)C=C(Cl)C=C2)[C@@H]1O	F12649
O=C1C=CN([C@H]2S[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1	F12654
O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)C=C1I	F12657
N[C@H]1CC2=C(C=C(Cl)C=C2)NC1=O	F12663
CC(C)(C#N)C1=CC=C(N2C(=O)NC3=CN=C4C=CC(Br)=CC4=C32)C=C1	F12705
ClC1=NC=NC2=C1NN=C2	F12714
Cl.N[C@H]1CCC(=O)NC1=O	F12719
C[C@]1(OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@@H]1N1C=NC2=C(Cl)N=C(Cl)N=C21	F12832
O=C1NC(=O)N(C2O[C@@H](CO)[C@H](O)[C@@H]2F)C=C1I	F12928
O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C=C1F	F12935
OC[C@@H]1O[C@H](N2C=NC3=C(N[C@H]4CCC5=C4C=CC=C5)N=CN=C32)[C@@H](O)[C@H]1O	F12756
O=C1C2=C(C=CC=C2)C(=O)C2=C1N=C(C1=CC=C(F)C=C1)O2	F12760
NC1=NC2=C(N=CN2[C@H]2O[C@@H](CO)[C@H](F)[C@@H]2O)C(=O)N1	F12908
CO[C@H]1[C@H](CO)O[C@H](N2C=NC3=C2NC(N)=NC3=O)[C@H]1O	F12911
COC(=O)CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2OC)C(=O)NC1=O	F12913
C[C@]1(OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@@H]1N1C=NC2=C1N=C(N)N=C2Cl	F12927
N[C@H]1CCC[C@H]1C(=O)O	F12971
COC1=CC=C([C@@H]2O[C@H](C(=O)O)[C@@H](C3=CC=CC=C3)N2C(=O)OC(C)(C)C)C=C1	F12988
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@@H](C(=O)O)C1	F13017
COC1=CC=C(C[C@H](C)N)C=C1	F13086
CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(C=CC=C2O)C1	F13103
NC1=NN(C2CC2)C=C1	F13251
C1=NN=CO1	F13208
CC1=C(C2=CC=C(OCC3=CC=CC=C3)C=C2)N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(OCC1=CC=CC=C1)C=C2	F13216
NC1=C(Br)C2=CC=CC=C2C=C1	F13243
OC1=CC2=CN=CC=C2C=N1	F13344
NC1=NC(Cl)=CS1	F13355
O=[N+]([O-])C1=CC(Br)=CC2=CC=CC=C21	F13539
ClC1=C(Br)C=NC2=CC=NC=C21	F13544
O=C(O)CCC1=NC=CC=N1	F13615
CC1=NOC(C2CCNCC2)=C1	F13633
NC1=C(F)C2=C(C=C1)NC=C2	F13710
NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C=C1	F13669
NC1=CC=C2N=CN=C(Cl)C2=C1	F13706
FC(F)(F)C1=CC=NO1	F13865
Cl.NCC1=CC2=C(C=C1)CNC2=O	F13869
COC1=C2C(=O)C=CNC2=CC=C1	F13845
CC(C)(F)C1=C(Br)C(=O)NC=N1	F13816
O=C(OCC1=CC=CC=C1)N1CCC2(CC1)CC2	F13876
COC1C[C@H](OC(=O)C2=CC=C(C)C=C2)[C@@H](COC(=O)C2=CC=C(C)C=C2)O1	F14173
C=CC(=O)NC1=C(N(C)CCN(C)C)C=C(OC)C(NC2=NC(C3=CNC4=C3C=CC=C4)=CC=N2)=C1	F14245
C=C(NC(=O)C1=CSC(C2=C(O)C=C3C4=NC(=CS4)C(=O)NC(C(C)O)C(=O)N/C(=C\C)C4=NC(=CS4)C(=O)NC4CC(O)C(=O)OCC5=CC=CC6=C5C(C)=C(N6)C(=O)SCC(NC(=O)C5=CSC4=N5)C4=NC(=CS4)C3=N2)=N1)C(N)=O	40044
COC(=O)[C@H]1CCC[C@@H]1C(=O)O	F50022
COC1=CN=CC(B2OC(C)(C)C(C)(C)O2)=N1	F50199
O=C1CCCC2(CCCCC2)C1	F14293
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C1	F14300
CC(C)(C)OC(=O)NC1=CC=C2C(Br)=CC=CC2=N1	F14314
N[C@@H]1COC[C@@H]1O	P16454
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@@H]1C(F)F	F50021
COC1=CC2=C(C=C1OC)[C@H](CCC1=CC=C(C(F)(F)F)C=C1)NCC2	89377
CC1=CN(C)N=C1CO	F50015
COC(=O)[C@H]1C[C@@H]1CCO	F50052
CC(C)(C)OC(=O)N1CC2CC1C2N	F50067
CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)O	F50254
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C1=CC=CC=C1	F50105
CC1CN[C@H](C2=CC=CC=C2)CO1	F50189
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1(C)CC1	F50326
C[C@@H](O)C1=NC2=C(C3=C(N=C2)NC=C3)N1[C@H]1CCCOC1	F50236
CC(C)(C)OC(=O)N1CC[C@@H]1CCO	F50295
CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)O	F50331
N[C@@H](CCO)C(F)(F)F	F50341
CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1C(=O)O	F50349
CC(C)(C)OC(=O)N1CC[C@@H]1CCO	F50373
NC1=CC2=CN=CC=C2C(Br)=N1	F50547
CC(C)(C)C1=CC(I)=CC(Br)=C1	F50549
CN1N=C(C=O)N=C1C1=CC=CC=C1	F50574
C[C@@]1(C2CCCC2)CC2=C(C1=O)C(Cl)=C(Cl)C(OCC(=O)O)=C2	F50593
CC(C)(CO)CN1C=C(B2OC(C)(C)C(C)(C)O2)C=N1	F50696
N[C@H]1CCOC2=C(C=CC=C2)C1.O=C(O)C(=O)O	F50699
N[C@H]1CCC2=C(C1)NC1=C2C=CC=C1	F50700
CC(C)(NC(=O)OCC1=CC=CC=C1)C(=O)OCC(=O)C1=CC=C(F)C=C1	F50743
CC1=C(OC(F)(F)F)C=CC=C1C(=O)O	F50815
CC(C)(C)C1=NC=CC(B2OC(C)(C)C(C)(C)O2)=C1	F50836
N#CC1(C2=NC=C(C(=O)O)C=C2)CC1	F51236
BrC1=CC=C2C=C(Br)N=NC2=C1	F50936
COC1=CC=C(CNC(=O)C2=C(N)C3=C(C)C=C(C)N=C3S2)C=C1	F50944
CC1=NN=C2C(N)=CC(C3=CC([N+](=O)[O-])=C(C)C=C3)=NN12	F50998
CC(C)(C)C1=CC(Br)=CN=C1	F50951
CC(=O)N1C2=C(C=C(C3=CC=C(C(=O)O)C=C3)C=C2)[C@@H](NC2=CC=C(Cl)C=C2)C[C@H]1C	F51001
Cl.FC(F)(F)C1=CCNCC1	F51059
O=C(O)C1=CC2=CC=CC=C2C(O)=C1	F51110
BrC1=C2SC=NC2=CC(OCC2=CC=CC=C2)=C1	F51169
CC[C@H](C)N1C=C(C)C2=C(C(=O)O)C=C(Br)C=C21	F51267
BrC1=CC=C2OCCC3=C2C1=NC=C3	F51333
CC(C)C1=CN=CN1C	F51223
COC1=CC=C(N2N=CC3=C2N=C(Cl)N=C3)C=C1	F51281
COC1=C(Cl)C=CC2=C1C=CNC2=O	F51293
FC1=CC=CC(F)=C1C1=NN=C2C=C(C3CCC3)C(Cl)=NN21	F51295
O=C(O)C1=NNC2=C1C=CC(I)=C2	F51305
CCN1N=CN=C1COC1=NN2C(=NN=C2C2=C(F)C=CC=C2)C=C1C(C)(C)C	F51317
COC(=O)C1=CC=C2N=C(Cl)N=C(Cl)C2=N1	F51571
Cl.NC1=CC2=C(C=CS2)C=C1	F51396
Cl.NC1CC2(CCN(C(=O)OCC3=CC=CC=C3)CC2)C1	F51406
CCOC(=O)C1C2CCC1CC(=O)C2	F51486
CCOC(=O)C1=CSC=C1C=O	F51492
COC1=CC=C(NC2=NC3=CC=CC=C3C=C2)C=C1	F51670
CCOC(=O)C1=NN(C)C2=C1CCC1=CN=C(N)N=C12	F51518
N#CC1=CC=C(C2=CC=C(OCCCCCCC(=O)NO)C=C2)C=C1	F51523
COC(=O)CC1=C(Cl)C=C(B2OC(C)(C)C(C)(C)O2)C=C1	F51554
COC(=O)C1=CC2=C(C=N1)NC1=NC=C(Br)C=C12	F51593
COC(=O)CC1=C(Cl)C=C(C2=NC(C)=CC=C2)C=C1	F51555
O=C(O)C1CC1C(F)(F)F	P15324
COC(=O)C1=NC=C2NC3=C(C=CC=N3)C2=C1	F51649
CC1=NC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1B1OC(C)(C)C(C)(C)O1	F51675
Cl.Cl.Cl.NCCCCCNCCCN	F51687
CC(C)(C)OC(=O)NC1=CC2=C(C=CS2)C=C1	F51862
Cl.O=C1NCCC12CNC2	P15325
CC(C)(C)OC(=O)NCC(=O)N1CCN2C=C(C3=CC=C(F)C=C3)N=C2C1(C)C	F51743
CC(C)(C)OC(=O)NCC(=O)N1CCN2C(=NC(C3=CC=C(F)C=C3)=C2Br)C1(C)C	F51744
C[C@H]1CC(=O)CN1C(=O)OC(C)(C)C	F51791
CC(C)(C)OC(=O)N1CC(C2=CN=C(N)C=C2)C1	F51802
CC(C)(C)OC(=O)N1CC(C2=CN=C(Cl)C=C2)C1	F51804
CN1N=C2CCN(C(=O)OC(C)(C)C)C[C@]2(CC2=CC=CC=C2)C1=O	F51811
N[C@H]1CCN(C2COC2)C1	P15253
CC1(C)CO[C@H]1CN	P15244
C1=CC=C(C[N-]C2CCCC[C@@H]2[N-]CC2=CC=CC=C2)C=C1.C1=CC=C(C[N-][C@H]2CCCC[C@@H]2[N-]CC2=CC=CC=C2)C=C1.[Br-].[Br-].[Ni+6]	P15245
FC1=CN=C(Br)S1	P15332
NCC1CCC2(CC1)COC2	P15345
O=C(NC1=C2N=C(N3CCC[C@H]3C3=C(F)C=CC(F)=C3)C=CN2N=C1)N1CC[C@@H](O)C1	42508
[2H]C1=C([2H])C(C#N)=C([2H])C([2H])=C1C#N	49002
Cl.NCC1=CC=NC(Cl)=N1	P15224
CC(C)(C)OC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO	P15231
CC1=CN=NC(CN)=C1.Cl	P15265
C[C@H](N)C1CCC1.Cl	P15298
CC(C)(C)OC(=O)N1CC2CCC1CC2O	P15575
Cl.Cl.NCC1=CC=NC2=C1CC(=O)N2	P15384
FC1=NNC=C1Br	P15391
Cl.NC1CC2CC1CC2O	P15407
CN1C=C(C(=O)O)C2=NC=CN=C21	P15422
CCOC(=O)C1=NNC(F)=C1	P15484
CCOC(=O)[C@H]1C[C@H]1CC#N	P15487
Cl.F[C@H]1C[C@@H]2CC[C@H](C1)N2	P15491
OCC1=C2C=CC=CN2C=N1	P15497
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2	P15542
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)O	P15462
COC(=O)C[C@H](C1=CC(Cl)=NC=C1)C1CC1	P15501
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2	P15540
C[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C	P15548
CNC[C@H]1CCN1C(=O)OC(C)(C)C	P15550
CC(C)(C)OC(=O)N1CCNC[C@H]1C1CC1	P15551
C[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C	P15552
C[C@@H]1C[C@H](N)CN(C(=O)OC(C)(C)C)C1	P15554
CC(C)(C)OC(=O)N1CCC[C@@]2(C1)OC(=O)NC2=O	P15562
C[C@@H]1NCCC[C@@H]1NC(=O)OC(C)(C)C	P15587
CC(C)(C)OC(=O)NCC1(F)CNC1.Cl	P15589
O=C(O)C1=CN=C2SC=CC2=C1	P15596
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](N)C[C@H]2C1.Cl	P15607
C=C1/C(=C\C=C2/CCC[C@]3(C)C2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O	H10080
CC(=O)OC1=CNC2=CC(Cl)=C(Br)C=C21	H10102
CC1=CC=CC2=C1CCC(=O)C2	H10281
NCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21	H10311
CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C	H10189
COC(=O)C1=C(N)SC=C1Br.Cl	H10196
CC1=NC2=C(C=C(S(=O)(=O)[O-])C=C2)C1(C)C.[Na+]	H10241
CC1=NNN=C1Br	H10262
CC(C)(C)OC(=O)N1CCCC2(CCNCC2)C1.Cl	H10369
CC(=O)CC(=O)CCC(=O)O	H10298
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])O.[Na+]	H10316
C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O	H10339
CCCC[Sn](CCCC)(CCCC)C1=CC=C(C(=O)ON2C(=O)CCC2=O)C=C1	H10348
O=C(ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O)C1CCC(CN2C(=O)C=CC2=O)CC1.[Na+]	H10470
COC1=CN=C(N)S1	F14523
Cl.N[C@H]1COC2=C1C=CC=C2	N10468
COC1=CC2=C(C=C1)CCC[C@@H]2N	N10475
O=CC1=CC=C(/C=C/C2=CC=C(C=O)C=C2)C=C1	N10414
CC(C)(C)OC(=O)N1CCC(=O)C2(CCN(CC3=CC=CC=C3)CC2)C1	N10594
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(Br)C=CC=C1	N10487
COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1.Cl	N10541
CC1=CC=C2C(=O)CCCC2=C1Br	N10661
O=C(O)C1=CC(Br)=CC2=C1CCCC2=O	N10671
N[C@H]1CCCC2=C1C=CC(C(F)(F)F)=C2	N10580
O=C(O)C1=C(F)C=C2C(=O)CCCC2=C1	N10589
CCOC(=O)CC1=CC=C(OC2=CC=CC=C2)C=C1	N10612
COC1=CC2=C(C=C1C#N)CCCC2=O	N10692
CCOC(=O)[C@H]1C2=C(CCN1C(=O)OC(C)(C)C)N=CN2C	N10708
C#COC1=C(OC)C=C(C=O)C=C1	F51885
O=C(O)C1=CN=CC2=CC(O)=CC=C21	K10072
Cl.N[C@@H](CC(=O)O)C1=CC=C(F)C2=CC=CC=C21	N10763
CC[C@H]1CC(=O)N2[C@H]1COC2(C)C	P16462
O=C(O)C1=CN=C2C=C(Br)C=NC2=C1	K10070
COC1=NC=C([C@@H]2CCCN2)C=C1	F14661
OC1=CC=C2C(Cl)=CN=CC2=C1	K10075
O=C(O)C1=CN=CC2=C(O)C=CC=C12	K10076
CC1=NC=C(CC2=CC3=C(N=CN([C@H]4CCCC[C@@H]4O)C3=O)C3=CC=CC=C23)C=C1	42536
CN1CCN2C3=C(C=CC=C31)[C@@H]1CN(CCCC(=O)C3=CC=C(F)C=C3)CC[C@@H]12	42537
O=C(O)CC(=O)NC1=C(C(=O)O)C=CC=C1	F51880
CC(C)(C)OC(=O)NC1CCN(C2=CC=C(C=O)C=C2)CC1	F51882
COC(=O)C1=C(C)C(C=O)=C(C)C=C1	F51883
CC(C)(C)N1C=C(C2=C(O)C=CC(Cl)=C2)C(NC(=O)C(F)(F)F)=N1	F51889
O=C(O)C1=CC=C2C(Br)=CN=CC2=C1	K10080
COC(=O)C1=CN=CC2=CC=CC(O)=C21	K10083
CC1=CC2=C(C=C1C)N(C)C1=NC(=O)NC(=O)C1=N2	42542
COC1=CC2=C(C=C1OC)/C(=C/C1=CC=C(O)C=C1)C(=O)N2	42546
CC[N+]1=C(/C=C/C=C2/OC3=C(C=CC=C3)N2CCCCCC(=O)ON2C(=O)CCC2=O)OC2=C1C=CC=C2.[I-]	F14630
COC1=CC=C(C(=O)[C@H](CO)OC2=C(OC)C=CC=C2)C=C1	F14684
Cl.NC12CCC(O)(CC1)CC2	F14706
CC(C)(C)OC(=O)N1CC[C@H]2NC[C@@]2(C)C1	P15663
COC1=C2N=CN([C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C2=NC(N)=N1	F15095
CC(C)[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	F15158
C[C@](N)(CO)C(=O)O	F15126
O=C1NC[C@H](F)C(=O)N1	F15142
CC(C)C[C@@H](CN)C(=O)O.Cl	F15243
CC(C)(C)OC(=O)NC[C@@H](C(=O)O)C1=CC=CC=C1	F15244
O=C(NC[C@@H](C(=O)O)C1=CC=CC=C1)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	F15224
NC[C@H](CC1=CC=CC=C1)C(=O)O	F15185
CC(=O)N[C@H](CC(C)C)C(=O)O.COC1=C(OC)C=C(C[C@@H]2NCCC3=CC(OC)=C(OC)C=C32)C=C1	F15233
COC1=CC2=C(C=C1OC)[C@H](CC1=CC(OC)=C(OC)C=C1)N(CCC(=O)OCCCCCOC(=O)CCN1CCC3=C(C=C(OC)C(OC)=C3)[C@@H]1CC1=CC(OC)=C(OC)C=C1)CC2.O=C(O)C(=O)O.O=C(O)C(=O)O	F15234
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C2	F15235
CC1=C(C(=O)NC2=C(F)C=C3NN=CC3=C2)[C@H](C2=CC=C(C(F)(F)F)C=C2)CC(=O)N1	F15260
CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)N1CCN(C2=C(F)C=C(NC(=O)C3=C(C4=CN=CC=C4)C=CC=C3)C=C2)CC1	F15275
C1=CN=CC([C@@H]2CCCCN2)=C1	N10845
COC1=CC2=C(C=C1)[C@@H](N)CCC2	N10947
C[C@H](N)CC1=CC=CC(C(F)(F)F)=C1	N10870
COC1=CC2=C(C=C1)[C@@H](N)CCC2	N10946
COC1=C2CCC[C@H](N)C2=CC=C1	N10958
NC1=C(NC(=O)CCCCCCC(=O)NC2=CC=CC=C2)C=CC=C1	N11055
N[C@H]1CCC2=C(F)C=CC(F)=C21	N10996
CCOC1=C(OCC)C=C(C2=NC(C3=C4CC[C@H](NCCO)C4=CC=C3)=NO2)C=C1	N11214
Cl.N[C@H]1COC2=CC=CC(Cl)=C21	N11260
COC(=O)C1=CC2=C(C=C1)CC[C@@H]2N.Cl	N11103
COC(=O)C1=CC2=C(C=C1)CC[C@@H]2N.Cl	N11104
C[C@H](N)C1=CC(Cl)=NC=C1	N11109
Cl.N[C@H]1COC2=C1C=CC(Cl)=C2	N11265
Cl.N[C@H]1COC2=C1C=C(OC(F)(F)F)C=C2	N11237
Cl.N[C@H]1COC2=C(Br)C=CC=C21	N11238
Cl.N[C@@H](CO)C(F)(F)F	N11447
N[C@@H](CO)C1=CC=C(OC(F)(F)F)C=C1	N11178
CCCCC1=NC(C2=CC=C(OCCCN(CC)CC)C=C2)=CN1C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	N11192
Cl.N[C@@H](CO)C1CCCC1	N11333
Cl.N[C@H]1COC2=C1C=CC(Br)=C2	N11241
Cl.N[C@H]1COC2=C(Cl)C=CC=C21	N11251
Cl.N[C@H]1COC2=C(F)C=CC=C21	N11266
Cl.N[C@H]1COC2=CC=CC(F)=C21	N11267
Cl.N[C@H]1COC2=CC=CC(F)=C21	N11268
Cl.N[C@@H](CO)C(F)(F)F	N11388
CC1=CC2=C(C=C1)[C@@H](N)CCC2	N11394
O=S(=O)(CCC(F)=C(F)F)C1=NC=C(Cl)S1	N11430
C=C[C@H](C)N.Cl	N11431
Cl.N[C@@H](CO)C1CCC1	N11336
C[C@H]1CN(CC(=O)NC2=CC3=C(C=C2)SC2=C(C4=CC(=O)C=C(N5CCOCC5)O4)C=CC=C2C3)C[C@@H](C)O1	N11342
Cl.O[C@H]1C[C@H]2CC[C@@H]1N2	P15722
Cl.O[C@@H]1CNC[C@@H]1F	P15723
CCC1=CC=CC([C@@H]2CCCN2)=C1	N11381
CCC(=O)N1CCN(C2=C(C(F)(F)F)C=C(N3C(=O)C=CC4=C3C3=CC(C5=CC6=CC=CC=C6N=C5)=CC=C3N=C4)C=C2)CC1	N11383
Cl.O[C@@H]1CNCC[C@@H]1F	P15750
CCCOC1=CC2=C(C3=C(S(C)(=O)=O)C=CC=C3)C=C(C(C)=O)N2C=C1	N11415
NC1=CC(C(F)(F)F)=C(C2=NC(N3CCOCC3)=NC(N3CCOCC3)=N2)C=N1	N11425
COC1=CC(/C=C/C(=O)NCCN2C(C(F)(F)F)=CC3=C2C=CC=C3)=CC(OC)=C1OC	N11432
C#CCCC1(CCN)N=N1.Cl	N11434
C#CCCC1(CCI)N=N1	N11435
C#CCCC1(CCO)N=N1	N11436
CC(C)(C)OC(=O)N1CCC12CC(O)C2	P15701
O=C[C@H]1CC[C@H](C(F)(F)F)CC1	P15703
CO[C@@H]1CNC[C@@H]1F.Cl	P15714
Cl.NC[C@H]1[C@@H]2COC[C@H]12	P15724
N[C@@H]1CCC[C@@](O)(C(F)(F)F)C1	P15727
Cl.OC[C@@H]1NC[C@@H]2C[C@@H]21	P15747
CN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](O)C1	P15758
C[C@H](O)[C@@H]1CNCCN1	79803
C[C@@H]1CC[C@H](C#N)CN1C(=O)OC(C)(C)C	W11824
CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(=O)O	43159
C1COC[C@@H](C2CC2)N1	O10219
O=C1NC2=C(C=C(B(O)O)C=C2)O1	O10052
CC1=C(B(O)O)C=C(CO)C=C1	O10118
NCC1=CC(C(F)(F)F)=CN=C1	O10120
CC(C)(C)OC(=O)N1CCC[C@@H]1B(O)O	O10153
NCC1=CC=C([N+]2=CC=CC=C2)C=C1.[Cl-]	O10281
CN[C@@H](CO)C1=CC=CC=C1.Cl	O10205
O=C(O)C1(C(=O)NC2=C(Cl)C=C(Cl)C=C2)CC1	O10241
COC1=NC=C(Br)C=C1C(C)=O	O10301
CC(C)C1=NC(I)=C2C(N)=NC=CN12	O10415
NCC1=CC=CC(CCO)=C1	O10460
O=C(O)C[C@H]1CCC2=C1NC1=C(Br)C=C(F)C=C21	O10484
O=C(O)C1=C(Cl)C=C(C2=NC=CC=C2)C=C1	O10721
COC1=CC=C2N=C(Cl)C=C(Cl)C2=N1	O10591
O=C1C=C(O)C(=O)C2=C1C(O)=CC=C2	O10612
O=C1NC=CC2=C1SC(Br)=N2	O10706
ClC1=CC2=CC=C(Cl)N=C2C=N1	O10626
C=CCN1C(=O)C2=C(N=C(SC)N=C2)N1C1=NC(C(C)(C)O)=CC=C1	O10638
O=[N+]([O-])C1=C2N=C(Cl)C=NC2=CC=C1	O10753
COC1=CC(O)=CC(C(=O)O)=C1	O11013
COC1=C(OC(=O)C2=C(OC(C)=O)C=CC=C2)C=CC=C1	O10824
Cl.NNC(=O)CCN1C(=O)C=CC1=O	O10860
ClC1=C2C=C(Br)C=NC2=NC=C1	O10967
O=C/C=C/C1=CC=C(O)C=C1	O10873
CC1=CSC(C)=C1Br	O10952
FC1=NN=C(Cl)C=C1	O10986
O=C(O)C#CC1CCCCC1	O10996
CN1CC=C(C2=CC=C(F)C=C2)CC1	O11071
FC(F)(F)C1=C2CNCC2=CC=C1	O11108
CCCN1CCC(C2=CC=CC(S(C)(=O)=O)=C2)CC1	O11067
O=C1NC=C(Br)C2=C1C=C(Cl)C=C2	O11189
ClC1=NC(C2=NC=CC=C2)=NC=C1	O11200
ClC1=C2CCCCC2=NC=C1	O11216
BrC1=CC2=CN=CN2C(Br)=C1	O11330
N#CC1=CC=C(C(=O)O)NC1=O	O11417
O=C(O)C1=NC(O)=C(O)N=C1	O11326
CSC1=NC2=NC(Cl)=NC(Cl)=C2S1	O11333
BrC1=CC2=C(C=C1)OCC21CCNCC1.Cl	O11366
O=C(O)C1=CC=C(O)C(=O)N1	O11445
CC1=C(N)N2C=C(F)C=CC2=N1	O11592
Cl.N=C(N)C1=NC=C(C2=CC=CC=C2)C=C1	O11487
Cl.OC1=CN=C(C(F)F)C=C1	O11507
NC1=CN=C(OC(F)(F)F)C=C1	O11513
O=C(O)C1=CC=C2C=C(Br)C(Br)=CC2=C1	O11521
C1COCC2(C1)CNC2.Cl	O11622
NC1=C2ON=CC2=CC=C1	O11689
NC1=C2OC=NC2=CC=C1	O11690
COC(=O)C1=C(Br)C(Cl)=CC2=C1C=NN2	O11954
COC(=O)C1=C(OC)C(C=O)=CC=C1	O11912
CCOC(=O)C1=CC2=C(C=CC=C2N)O1	O11789
COC(=O)C1=CC(Cl)=C(Cl)C=N1	O11922
CCOC(=O)C1=C(C)N=C(Cl)C=C1C	O11813
COC(=O)C1=C(O)C(Cl)=NC=C1	O11870
COC(=O)C1=C(OC)C(Br)=CC(Br)=N1	O11924
O=C(O)C1=CC=CC2=CN=NC=C21	O12043
O=C([O-])C1=NC(C2=CC=C(C(F)(F)F)C=C2)=NO1.[K+]	O12049
O=C(O)C1=CC2(CCNCC2)C2=C1C=CC=C2	O12081
CC(C)(C)OC(=O)N1CCC2(CNC2)C1.O=C(O)C(=O)O	O12109
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)Cl)C1	O12118
CC(C)(C)OC(=O)N1CCC2C(=O)CCCC21	O12136
CO[C@@H]1[C@@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@H](C)O2)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](O)[C@@H](C)O2)[C@@H](N(C)C)[C@@H]1O	42458
COC1=C(F)C=C(C2=CN=CC3=NC(N)=NN23)C=C1	W11841
COC1=C(C2=CN=CC3=NC(N)=NN23)C=C(F)C=C1	W11842
C[C@H](N)C1=NC=NC=C1.Cl.Cl	F15538
C1=CC[C@@]2(CC1)CCCO2	W11829
Cl.NC1(C2=NC=C(Br)C=N2)CC1	P16477
Cl.Cl.F[C@H]1CCN(C2CNC2)C1	P16479
CC1(C)[C@@H](N)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	P16482
CC1=CC2=C(C=C1)OC1(CCNCC1)CC2=O	W11840
O=S(=O)(Cl)C1(C2=CC=CC=C2)CC1	P16498
CN[C@H]1CCN(C(=O)C2=CC=C(NC3=NC(C4=CN=C(C)N4C(C)C)=C(F)C=N3)C=C2)C1	41604
O=C(O)C1=C(O)C=CC(N2C(C3=CC=CC=C3)=CC3=C2CCC2=C3C=CC=C2)=C1	41607
OC1=CN=C2NN=CC2=C1	P16495
CN1CC2=C(C=CC=C2B2OC(C)(C)C(C)(C)O2)C1=O	S10017
COC(=O)C1=CC(F)=C(F)C=C1C	55839
C#CCCC1(CCN)N=N1	S10087
Cl.NC1=C(F)C(C(F)F)=NC=C1	S10102
OC1=CN=C(OC(F)(F)F)C=C1	S10289
FC(F)(F)C1=NC=C2C=NNC2=C1	S10290
CC1=CC(N)=CC(C(F)(F)F)=C1C	S10181
NC1=C([N+](=O)[O-])C=C(C(F)(F)F)C(Cl)=N1	S10307
CCOC(=O)CC1=C(C)C(Cl)=NC=C1	S10343
O=C(O)[C@H]1CCC12CCC2	S10402
CCOC(=O)C1=NN(C(C)C)C(O)=C1	W12003
CCOC(=O)C1=C2C=CC(NC(=O)OC(C)(C)C)=CN2N=N1	W11931
C1=CC2=C(C=C1)[C@@H](NC1=NC=NC3=C1C=CN3)CC2	W11993
FC(F)C1=CC2=C(C=C1)CCCN2	W11960
NC(=O)[C@@H]1CCC(C2=CC=C(OCC3=C(F)C=CC=C3)C=C2)N1	W11967
CCOC(=O)C1=NNC(=O)C=C1C(F)(F)F	W11970
CC1=NC(C2=C(F)C=CC=C2F)=C(F)C=C1	W12100
CC(=O)OCCCCN1C(CO)=NC2=C1C=CC=C2	W12010
COC(=O)[C@@H]1C[C@H](O)[C@H](C)N1C(=O)OC(C)(C)C	W12058
FC(F)(F)OC1=CC=CC(C2=NC=C(Br)C=C2)=C1	W12066
CC(C)(C)OC(=O)N1CC[C@@](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)(C(=O)O)C1	W12071
COC1=CC=C(NC2=NC=NC(C)=C2)C=C1	W12074
FC1=NC=CC=C1C1=NC=NC2=C1N=CN2[C@@H]1CCCCO1	W12081
CNC1=NN2C(C(=O)O)=CN=C2C=C1	W12125
O=C(CCCCCCBr)N1C(=O)OC[C@@H]1CC1=CC=CC=C1	W12126
CC1=CC=C(S(=O)(=O)N2CC[C@H](F)C(=O)C3=C2C=CC=C3)C=C1	W12127
C=CC(=O)NC1=CC=CC(OC2=C3SC=CC3=NC(NC3=CC=C(N4CCN(C)CC4)C=C3)=N2)=C1	W12116
CCC1=CC=CC(OC)=C1C(=O)OC	W12119
CSC1=CC(C)=NC(SC)=C1NC(=O)CBr	W12120
CCOC(=O)C1=CC(NC(=O)OC(C)(C)C)=C(C)N=C1	W12122
NC(=O)N1C2=C(C=CC=C2)C[C@H](Cl)C2=C1C=CC=C2	F31072
O=CC1=CNC2=C(C(F)(F)F)C=CC=C12	F15929
COC(=O)C1=CC2=C(C=C1)O[C@H](C1=C(Cl)C=C(Cl)C=C1)CN2	W11847
CCOC(=O)CC1=CC=C(B2OC(C)(C)C(C)(C)O2)S1	P16505
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C2=CC=CC=C2)C1	W11855
CC(C)(C)OC(=O)[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O	F31101
CSC1=NC(C2CN(C(=O)OC(C)(C)C)C2)=CC(Cl)=N1	W11860
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1=CC=CC=C1)C2=O	W11861
CCC(C)[C@H](N)C1=CC=CC=C1.Cl	F31003
CCNC(=O)[C@@H]1O[C@H](N2C=NC3=C(N)N=C(Cl)N=C32)[C@H]2OC(C)(C)O[C@H]21	F31013
Cl.FC1=NC=CN1	F31129
CC1=C(O)C=CC(C2=CC=C(C3=CC(O)=CC=C3)S2)=C1	F31135
C=C[C@H](N)C(=O)O.Cl	F31036
C[C@@H](CN(C)C)C1=CC=C(C2=C(O)C=CC3=C2C2=C(SC=C2)C(=O)N3)C=C1.Cl	F31038
O=C(NC1=CC2=C(C=C1)NN=C2C1=CC=NC=C1)[C@H]1CCN(CC(=O)N2CCN(C3=CC=C(C4=NC=CC=N4)C=C3)CC2)C1	F31041
CC1=CC(C)=C(/C=C2\C(=O)NC3=C2C=C(Cl)C=C3)N1	F31185
CCOC(=O)C1=C2C3=C(C=CC=C3)C(=O)C3=CC=CC(=C32)NC1=O	F31217
N#CC1=CC=C(Cl)C(Br)=N1	W12310
Cl.O=C1CCNC2(CCC2)C1	F31207
NCCCCN(CC1=NC2=C(C=CC=C2)N1)[C@H]1CCCC2=CC=CN=C21	F31237
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)OC1	F31253
CC(C)(C)OC(=O)N1CCO[C@H](C2=CC=CC(C(F)(F)F)=C2)C1	F31254
O=CC1=CC=CN=C1S(=O)(=O)C1=CC=C(F)C=C1	W12169
CN1C=NC=C1C[C@H](N)C(=O)O.Cl	W12193
CCOC(=O)[C@H](CC1=CC=C(CS(=O)(=O)OCC(Cl)(Cl)Cl)C=C1)NC(C)=O	W12135
CN1N=C(C(F)F)C(C(=O)O)=C1OC1=CC=CC(C(F)(F)F)=C1	W12141
COC(=O)C12C=CC(O1)C1=C2C=CC=C1	W12265
CCN1N=NC2=C1C=CC(Br)=C2C	W12334
CCOC(=O)/C=C/C1=C(C)C2=C(C=C1)N(CC)N=N2	W12335
O=C(O)[C@H]1N(C(=O)C(F)(F)F)CCCC1(F)F	W12339
COC1=C(O)C=CC(C[C@H](O)C(=O)O)=C1	W12319
CC1(C)OB(C2=CC(C#N)=C(OC3CCOCC3)C=C2)OC1(C)C	W12408
O=C1CCC2=C(C=C(C(=O)O)C=C2)N1	W12321
COCOC1(C2=CC=C(Br)C=C2)CCC(=O)CC1	W12347
COC(=O)C1=C(N)C(C)=CC(C#N)=C1	W12356
CC1=C(C2=NC=C3NN=CC3=C2)C=NC=C1	W12363
CC1=NC2=C(C=C(F)C=C2)C(=O)N1C1=C(Cl)C=CC=C1	W12366
O=C(O)C1=C(F)C2=CC=CC=C2C=C1	W12368
CC1=C(C)C(=O)C(I)=C(C)N1	W12382
IC1=NNC2=C1C=C(C1=CN=CC=C1)N=C2	W12386
CN1C(=O)CC[C@H]2CNCC[C@@H]21	W12403
O=C1CCNC2=C1C=CC=N2	W12418
CCOC(=O)/C=C/[C@H]1CC[C@H](C)CC1	W12433
CCOC(=O)C(C)(C)C1(O)CN(C(=O)OC(C)(C)C)C1	W12603
O=C(O)C1=CC2=C(O)C=CC=C2C=C1	W12532
CCOC1=CC=C(C2=CC(NC(=O)C3=C(F)C=CC=C3F)=C(C(=O)OC)S2)C=C1	W12557
COC1=CC2=C(C=C1OC)CN(CCC1=CC=C(N3N=NC(C4=CC(OC)=C(OC)C=C4N)=N3)C=C1)CC2	W12642
Cl.FC(F)(F)C1=NN2CCNCC2=N1	W12670
CC(C)(C)OC(=O)N1CC(C2=CC=C(Cl)C=C2)=CC1=O	W12695
C[C@H]1CCCCCN1C(=O)OCC1=CC=CC=C1	W12718
CC1=CC=C(S(=O)(=O)OC[C@@H](O)COCC2=CC=CC=C2)C=C1	W12752
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O	W12859
Cl.N[C@H]1[C@H]2COC[C@@H]12	W12777
CC(C)(C)C1=NC(I)=C2C(Cl)=NC=CN12	W12805
CC(C)(C)[Si](C)(C)OCC[C@H]1CCC2=C1C1=C(N=CN=C1Cl)S2	W12937
Cl.O=C(N[C@H]1CNC[C@@H](F)C1)OCC1=CC=CC=C1	W12945
CC(C)(C)OC(=O)NCC1=NN=C2C=CC(Cl)=NN21	W12927
CCOC(=O)CC1=NC2=C(CN(C(=O)OC(C)(C)C)CC2)N1C(=O)OC(C)(C)C	W12977
COC(=O)C1=CC(Br)=C2C=CNC2=C1C	W12949
Cl.O=C1NC[C@@]2(F)CNC[C@@]12F	W12889
CC1=CC=CC2=C1NC=C2C1=CC=NC(Cl)=N1	W12904
CC(C)C1=C(NC(=O)NC2=CC=C(Cl)C=C2)C(=O)N(C2=CC=CC=C2)N1C	W12921
CC(=O)C1=CN=C2C=CC(Br)=CN12	W12999
ClC1=NC(C2=CNC3=C2C=CC=C3)=C(Cl)C=N1	W13000
NC1=NC=CC(C2=CN=C3C=CC(Br)=CN23)=N1	W13005
CC1=CC(Cl)=NN2C=NN=C12	W13091
NC1=NN=C(CCCCC2=NN=C(NC(=O)CC3=CC(OC(F)(F)F)=CC=C3)C=C2)S1	W13099
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC2(CCCC(=O)N2)C1	W13027
CC1(C)OCC(C2OC(=O)C(O)=C2O)O1	W13201
CC(C)(C)OC(=O)NC[C@H](F)CI	W13056
COC1=CC2=C(C(=O)N(CCl)S2(=O)=O)C(C(C)C)=C1	W13059
CC(C)(C)CCC1=CC=C(N)C=C1	W13066
O=C1C=NN(C2=CC(C(=O)O)=C(Cl)C=C2)C(=O)N1	W13178
C[C@@H]1C[C@@H](C(=O)O)N(C)C1	P15809
C[C@@H]1CC[C@@H](C(=O)O)N1C	P15812
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)OC1	P15815
COC(=O)/C(C#N)=C\C1=CSC=C1	W13111
CN1CCN(C2=CC=C(NC3=NC=C4C=C(C#N)C(=O)N(C5CCCC5)C4=N3)C=C2)CC1	43234
COC1=C(C2=CC=C(C(F)(F)F)C=C2)C(C(=O)NC2=CC3=C(C=C2)CN(C(=O)OC2=CC=CC=C2)CC3)=CC=C1	43237
O=C(O)C(=O)NC1=C(C(F)(F)F)C=CC=C1C(F)(F)F	W13158
C#CC1(CO)CC1	P15770
C[C@H](O)C1CC(F)(F)C1	P15880
OCC1(C2=CC=CC(Cl)=C2)COC1	P15866
CC1=CC=CC(C2(CO)COC2)=C1	P15867
OCC1(C2=CC=C(Cl)C=C2)COC1	P15868
NCC1=CC=CC(OC2COC2)=C1	P15870
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C(F)C=CC=C12	W13236
CC1=CC=C(C2=NC=C(O[C@H]3CN4CCC3CC4)C=C2)C=C1	43207
N#CCCNC1=NON=C1C1=NC2=C(C=CC=C2)N1CC(=O)C1=CC=C(N)C=C1	43209
COC1=CN=C(C2=CC=C(OCC3=C(C)OC(C(=O)[N-]S(=O)(=O)C4=C(C)C=CC=C4)=C3)C=C2)C=C1.[Na+]	43212
CC1=CC2=C(C(N)=O)C=CC=C2N1C1=NC(NCC2=CC=CC=C2)=C2COCCC2=N1	43216
CCS(=O)(=O)NC1=CC(C2=CN(C)C(=O)C3=C2C=CN3)=C(OC2=C(F)C=C(F)C=C2)C=C1	43202
CCC1=C(Cl)C(O)=C(Cl)C(O)=C1C(=O)O[C@H]1[C@H](C)O[C@H](OCC2=CC=CC[C@@H](O)C(C)=C[C@@H](OC)[C@H](O[C@H]3OC(C)(C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]3O)C(C)=CC(C)=CC[C@H]([C@H](C)O)OC2=O)[C@H](OC)[C@@H]1O	43224
O=C1NC=NC2=C1NC=C2[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O	43225
CN1N=CC(C#N)=C1C1=CC2=C(C=C1)C(=O)N([C@H](CN)CC1=CC=CC(F)=C1)C2	43228
CC(C)C1=NC(N)=NC(N2CC[C@H](N)C2)=C1	43229
NC1=NC=C(/C=C/C(=O)NCC2=CC3=CC(C4=CC=C(C(=O)N5CCC(F)(F)CC5)C=C4)=CC(C4=CC=C(F)C=C4)=C3O2)C=C1	43230
CS(=O)(=O)C1=CC=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(C=C2Cl)CN(C(=O)C2=CC4=C(C=CO4)C=C2)CC3)C(=O)O)=C1	43232
CS(=O)(=O)C1=CC=C(C2=CN=C(N)C(C3=CN=C(C(F)(F)F)C=C3)=C2)C=C1	43233
CCC(=O)NC[C@H]1C[C@@H]1C1=C2CCOC2=CC=C1	43241
Br.CC1=CC(NC2=NC([C@@H](O)C3=CC=C(F)C=C3)=NC3=CC=CC=C32)=NN1	43203
C[C@]1(O)CCNC1	P15825
CO[C@H]1COCC[C@H]1N.Cl	P15827
C1CC2(CCN1)COCCN2.Cl.Cl	P16097
COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(C2=CC=CC=C2)CC1	43204
CCN(CC)CCN(CC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C=C1)C(=O)COC1=C2CCCC2=NC(SCC2=CC=C(F)C=C2)=N1	43219
Cl.OC[C@H]1CCNCC1(F)F	P15816
Cl.FC1(F)CC2CNCC2C1	P15818
O=C(C1=C(Cl)C=CC=C1)C1=C(C2=C(C3=CC=NC=C3)N(CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)N=N2)N=CC=C1	43243
CN1C(=O)C2=C(C=CS2)N(C)C2=C1C=NC(NC1=CC=C(S(N)(=O)=O)C=C1)=N2	43245
CC1=CC=CN=C1N(C(=O)C1=CC=C(C2=C(C3=NN([C@H](C)OC(=O)C(C)C)N=N3)N(C)N=C2)C=C1)[C@H]1CCCNC1	P15775
Cl.N[C@H]1CCCCC1(F)F	P15776
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O	P15777
Cl.O=C(O)[C@H]1NC[C@@H]2C[C@H]12	P15778
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)O	P15782
Cl.O=C(O)[C@H]1NC[C@H]2C[C@H]21	P15783
CC1=CC=CN=C1N(C(=O)C1=CC=C(C2=C(C3=NN([C@@H](C)OC(=O)C(C)C)N=N3)N(C)N=C2)C=C1)[C@H]1CCCNC1	P15785
Cl.N[C@@H](C1CC1)C(F)(F)F	P15786
Cl.N[C@H]1CCCCC1(F)F	P15787
Cl.OC[C@@H]1NC[C@H]2C[C@H]21	P15792
Cl.Cl.N[C@H]1CCC[C@H](N)C1	P15793
Cl.N[C@@H](CC1CCOCC1)C(=O)O	P15806
O=C(O)C1=NNC2=NC=CN=C21	P15922
C[C@]1(O)CCNC1	P15831
O=C(O)C1=CC(Cl)=C2C=CNC2=N1	P16077
FC1=CNC2=NC=CC(Cl)=C12	P16080
C[C@@H]1C(=O)NC2=NC=CC(Cl)=C21	P16081
COCCOC1=CC=C2N=CN=C(Cl)C2=C1	P16085
C[C@H]1C[C@H](O)CN1.Cl	P15836
CC1=C(CN)C=CC2=C1C=CN2	P15841
NC1=CC(F)=C(B(O)O)C=N1	P15846
Cl.O=C(O)[C@@H]1CC2(CC2)CN1	P15848
CC1=C2NC=CC2=CC(CN)=C1	P15849
Cl.NC[C@H]1CCC(F)(F)C1	P15855
CN1CC(F)(F)C[C@@H]1CN.Cl.Cl	P15858
Cl.NC[C@H]1CCCOC1	P15860
Cl.NC[C@H]1CCCOC1	P15862
OCC1(C2CC2)CC1	P15873
FC(F)(F)CN1CC2(CNC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	P15937
O=C(OC[C@H]1CCCOC1)C1=CC=CC=C1	P15995
COC1=C(C=O)C=CS1	P15996
CN1CC(C)(C)C[C@H]1C(=O)O	P15898
CN1CCCC12CCNCC2.Cl.Cl	P15901
CC(C)(C)OC(=O)N1CC[C@@](C#N)(C(=O)O)C1	P15905
CC1=NC=CN=C1C1=CC=C(CC(=O)N[C@@H](C)C2=NC=C(OCC(F)(F)F)C=C2)C=C1	P15962
CC1([C@H](N)C(=O)O)COC1	P15965
Cl.OC1CC2CNC1C2	P15968
CC(C)(C)OC(=O)N1CC2CC(C(=O)O)C1C2	P15969
CCC1CN(C)[C@@H]1C(=O)O	P15975
O=C(CBr)C1CC(F)(F)C1	P15977
CC1(C)C[C@H](O)CN(C(=O)OC(C)(C)C)C1	P15934
OCCC1=CC(Br)=C(Cl)N=C1	P15946
O=C(O)CC1=NN=CC=C1.[Li+]	P15950
O=C1NCCC2=NC(Cl)=NC(Cl)=C12	P15957
CC(C)(C)OC(=O)N1CCC2(CNC2)C(F)(F)C1	P15958
IC1=C2C=COC2=NC=C1	P16093
O=CC1=CN2N=C(Cl)N=C(N3CCOCC3)C2=C1	P15985
C[C@@H]1C(=O)NC2=C1C=NC(Cl)=N2	P15988
N#CC1=CC=NC2=C1CC(=O)N2	P16004
OCC1(O)COC1	P16013
CC1(C)OB(C2=C3CCCN3N=C2)OC1(C)C	P16018
Cl.NC1=CC2=C(C=C1)C(C(F)(F)F)=CN2	P16019
Cl.NC12CC(O)(C1)C2	P16024
O=C1C(O)=CNC=C1F	P16035
C1OCC2CC1N2.Cl	P16049
N[C@H]1C[C@@H]1C1=CC=C(O)C=C1	P16060
O=C(O)C1=CC(Br)=C2C=CNC2=N1	P16072
FC1=CNC2=NC=CC(Br)=C12	P16073
CC1(C)OB(C2=CC3=C(C=C2)ON=C3)OC1(C)C	P16100
Cl.O=C1CCC2CCC1N2	P16166
C1CC12CNC2.C1CC12CNC2.O=C(O)C(=O)O	P16106
O[C@H]1CNCC12CC2	P16107
BrC1=CN=C2NC(C3CC3)=CC2=C1	P16113
ClC1=C(Br)C=NC2=C1C=NN2	P16116
CC1=C(Cl)C=NNC1=O	P16123
COC(=O)C1=C(C)C=C2C=CNC2=C1	P16251
CC(=O)N1CCC(NC2=CC(C(=O)NC[C@H](O)CN3CCC4=C(C=CC=C4)C3)=NC=N2)CC1	P16134
CC1=C(C(=O)O)C=C([N+](=O)[O-])C(Cl)=N1	P16146
COC1=NC2=C(C=C1)C(C=O)=CN2	P16152
FC1=C(Br)C(Cl)=CC2=C(Cl)N=C(Cl)N=C12	P16157
C1CC2(CCNC2)CC2(C1)OCCO2.C1CC2(CCNC2)CC2(C1)OCCO2.O=C(O)C(=O)O	P16179
CC(C)(C)OC(=O)NC1CC2COCC(C1)N2	P16182
C[C@H]1CN(C(=O)OC(C)(C)C)CC=C1B1OC(C)(C)C(C)(C)O1	P16334
CC(C)(C)OC(=O)N1CCC(C(F)(F)CN)CC1	P16336
COC1=C(NC2=NC3=C(N[C@@H](C)C(C)(C)C)N=CC=C3C=N2)C=CC(C2=CN(C)N=C2)=C1	P16275
Br.CNC12CC(C3=CC=CC=C3)(C1)C2	P16279
CN1CCC2=C(C1)SC(C(=O)N[C@H]1C[C@@H](C(=O)N(C)C)CC[C@H]1NC(=O)C(=O)NC1=NC=C(Cl)C=C1)=N2	P16199
CCOC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C	P16200
CCOC(=O)C1=NN2CCNCC2=C1	P16207
CCOC(=O)[C@H]1CNCC12CC2.Cl	P16210
CCOC(=O)[C@H]1C[C@@H]1CC#N	P16214
C[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C	P16305
CCOC(=O)C1=CC(Cl)=NN2C=CN=C12	P16218
COC(=O)[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C	P16221
COC(=O)[C@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	P16225
COC(=O)CC1CNCC(C)C1.Cl	P16235
COC(=O)C1CCNCC1F.Cl	P16241
CC(C)(C)OC(=O)N1CCC2(C(=O)O)CC12	91952
C[C@]1(F)C[C@H](N)C1.Cl	91900
COC1=CC=C([C@H]2C[C@H](N)C2)C=C1	91829
COC(=O)[C@@H]1CNC[C@H](C)C1.Cl	P16256
CC1(C)C[C@@H](C2=CC(N3CCOCC3)=CC=C2)NC2=C1C=C(C(=O)NS(=O)(=O)C1CC1)C=C2	P16269
CN(C)C(=O)CN1C=C(B2OC(C)(C)C(C)(C)O2)C=N1	P16270
COC(=O)[C@H]1CC[C@@H](CO)C1	P16294
CN[C@@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C	P16300
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC2=O	P16302
CC(C)(C)OC(=O)N1CCC[C@@](F)(CO)C1	P16311
CC(C)(C)OC(=O)N1C[C@H](N)C(C)(C)C1	P16318
CC(C)(C)OC(=O)N1CC(C2CNC2)C1.Cl	P16321
CC(C)(C)OC(=O)N1CCCC12CCNCC2.Cl	P16325
CC(C)(C)OC(=O)N1CC2(C[C@@H]2N)C1.Cl	P16326
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=NC=C(Br)C=C12	P16344
CC(C)(C)OC(=O)N1CCC2(CCC(N)C2)C1	P16349
CC(C)(C)OC(=O)N1CC2NCC1C2O	P16350
CC(C)(C)OC(=O)N1CCC(=O)CC12CC2	P16351
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	P16353
CC(C)(C)OC(=O)N[C@H]1CCC1=O	P16356
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1N	P16360
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1O	P16363
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	P16375
Cl.N[C@H]1CC[C@H](CCO)CC1	P16378
Cl.N[C@H]1CC[C@@H]1C(=O)O	P16380
Cl.N[C@H]1C[C@H](F)C1	P16381
COC(=O)[C@H]1CC[C@H](C)NC1	P16384
Cl.O=C(O)C12CNCCC1C2	91950
CC(C)(C)OC(=O)N1CCC2(CO)CC12	91951
C[C@]1(F)C[C@@H](N)C1.Cl	91899
COC1=CC=C([C@H]2C[C@@H](N)C2)C=C1	91846
N[C@H]1C[C@@H](C2=CC=C(C(F)(F)F)C=C2)C1	91847
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](O)C1	91817
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](O)C1	91819
Cl.N[C@@H]1COCC(=O)C1	91465
CC(C)(C)OC(=O)N1CCCC[C@H](C#N)C1	91455
CC(C)(C)OC(=O)N1CC[C@](C)(N)C1	91399
CC1=CC2=C(Br)C=C(C(=O)O)C=C2N1	91761
NC1=C(I)C(=O)NC=C1	91738
CN1CC2(C1)CN(C(=O)OC(C)(C)C)CCN2	91708
COC1=CN=C2C=CC(Cl)=NC2=C1	91726
ClC1=CC=C2N=CC(Br)=CC2=N1	91727
CCOC(=O)C[C@H](N)C(F)(F)F.Cl	91662
C[C@H](N)C1(C(F)(F)F)CC1.Cl	91656
CC1=NC=C2C(Cl)=NC=CN21	91658
CC1(C)OB(C2=CC(C=O)=CC(C#N)=C2)OC1(C)C	91574
CC1=CC(Br)=CC(F)=N1	91513
FC1=CC=C2C=CC(Br)=CC2=N1	91505
O=C1NC(=O)C2=NC=C(Br)C=C2N1	91468
C1=CN2C=C(C3=CC4=C(C=C3)C=NN4)N=C(NC3=CC=C(N4CCOCC4)C=C3)C2=N1	91452
FC(F)OC[C@H]1CCNC1	89978
COC(=O)C12CCC(N)(C1)C2.Cl	91433
O=C1CCC2(CCC2)N1	91437
COC(=O)C1=C(OC)N=CC(Cl)=C1C	91448
NC1=NNC2=C1N=C(Cl)C=C2	91406
N#CC1=C(Cl)N=CC(Br)=N1	91415
CC(C)(C)OC(=O)N1CC[C@](C)(N)C1	91397
COC1=C2NC=CC2=C(B2OC(C)(C)C(C)(C)O2)C=C1	91382
COC1=NC2=C(C=C1)NC(=O)C=C2	91339
COC1=CC=C2N=C(Cl)C=CC2=N1	91340
COC(=O)C12C3C4C1C1C2C3C41CO	91308
COC1=CC=C(C2=NN=C(C(=O)N3CC(OC4=CC=C(CN5CC6(COC6)C5)C=C4)C3)O2)C=C1	91318
CC(C)N1C(NC2=CN=CC=C2)=NC2=C1N=C(NC1=CC=C(N3CCN(C)CC3)C=C1)N=C2	91330
CC1(C)OB(C2=C3C=CNC3=NC(N)=C2)OC1(C)C	91268
Cl.NC1(C2=CN=C(Cl)C=C2)CCC1	91213
Cl.O=C(OCC1=CC=CC=C1)N1CC2CNC(C2)C1	91190
O=C1C=C2CCCCC2=CN1	89637
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC12CC2	89495
NCCCOC(F)F	89965
O=C(O)COC(F)F	89985
O=C(O)C1CC(OC(F)F)C1	89992
Cl.N[C@H](C1=CC=CC(F)=C1)C(F)(F)F	89946
COC(=O)C1=CC(Br)=C(C)C=C1N	89894
CC1=NN2C=CC=CC2=C1C(=O)O	89914
O=C(O)C1=CC=NC2=CC=NN21	89845
C=CCN1C[C@H](C)N([C@H](C2=CC=C(C(=O)N(CC)CC)C=C2)C2=CC(O)=CC=C2)C[C@H]1C	89831
CC(C)(O)[C@@H](F)CN	89813
BrC1=CC2=C3C(=C1)NN=C3NC1=C(C=CC=C1)O2	89778
C[C@H](N)CC1=CSC=C1.Cl	89731
CC1=NC(C2=CC=C(CCl)C=C2)=CO1.Cl	89680
O=C(O)C1=C(O)C=CC2=CC=CN=C21	89561
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](O)[C@@H]1C2	89593
O=C(O)C1(CN2CCOCC2)CC1	89556
CC1=NN2C=CC=CC2=C1Br	89514
Cl.O=C1COC[C@@H]2CNCCN12	89522
C[C@H]1[C@H](F)C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	89487
COC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1C(=O)OC(C)(C)C	89488
Cl.FC(F)(F)OC1CNC1	89500
CC(C)COC[C@H](CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1	89455
O=C1NCCC2=C1C=C1CCCCN12	89464
COC1=CC=C(C2=CC(=O)C3=C(C=C(O)C=C3O)O2)C=C1	44131
CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H](O)C3C2CC[C@@]2(C)C(=O)CCC32)C1	F15976
CCOC(=O)COC1=C(OC)C=C(/C=C2/SC(=O)NC2=O)C=C1	44253
CC1(C)OB(C2=CC3=C(N2)C(C2CC2)=CC=C3)OC1(C)C	89410
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)O[C@]13CC=C(C)[C@H]23	44138
C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12	44147
OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	44158
CC(=O)O[C@H]1CC[C@]2(C)C(=CCC3C2CC[C@]2(C)C3C[C@H](OC(C)=O)[C@H]2OC(C)=O)C1	F15972
CC(=O)O[C@@H]1CC[C@]2(C)C(=CCC3C2CC[C@]2(C)C3CCC23OCCO3)C1	F15974
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	44215
CC(C)(C)S(=O)(=O)C1=CC2=C(NC3=NNC4=C3C=C(F)C=C4)C=CN=C2C=C1	44239
COC(=O)CC(O)(CCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCC2=C(C=C4OCOC4=C2)C13	44241
C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CC[C@@H]12)CC4=O	44265
COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCC2=C(C=C4OCOC4=C2)[C@@H]13	44305
C[C@]12C[C@]3(O)O[C@H](O1)[C@@]1(COC(=O)C4=CC=CC=C4)[C@@H]3C[C@@]21O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	44307
CC1=C[C@H]2[C@@](O)(CC(CO)=C[C@@H]3[C@H]4C(C)(C)[C@@]4(O)[C@@H](O)[C@H](C)[C@]32O)C1=O	44312
CCCC[S@](=O)C1=C(N)C2=C(N=C(C3=CC=CS3)C=C2C2=CC=CC=C2)S1	44348
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O	44358
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	44372
C[C@@](CC(N)=O)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	F15990
Cl.O=CC1=CC2=C(C=C1)NCC2	F16225
COC1=CC(C)=C(C2=C3C=CC(=O)C=C3OC3=C2C=CC(O)=C3)C=C1	F16239
NC1=NC2=C(C(=O)N1)C(I)=CN2[C@@H]1C[C@@H](O)[C@H](CO)O1	F16245
C=C1[C@@H](O)C[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](O)[C@H]3[C@@H]1O)C2(C)C	F16247
O=CC12CCC(O)(CC1)CC2	F16204
CN1C=C([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)NC1=O	40079
COC1=NC(C)=C(B2OC(C)(C)C(C)(C)O2)C(C)=N1	E10218
CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C	F16272
CCOC(=O)C1=NC2=CC=NN2C=C1	F16296
CC(C)(C)OC(=O)CC1=CC=C(C[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)C=C1	F16300
CCC(=O)NCCCC[C@H](N)C(=O)O	F16305
O=[N+]([O-])C1=CC2=C(C=C1)SC1=C(C=CC=C1)N2	E10116
CC(=O)C1=C2C=C(C(=O)O)C=NC2=CC=C1	K10102
NC1=CN2N=CC(Br)=C2N=C1	K10106
NC1=CC=C2N=CC(Br)=CC2=N1	K10108
O=C(O)C1=CC2=NC(O)=CC=C2N=C1	K10110
O=C(O)C1(C2=NN=CO2)CC1	E10039
O=C1C(=O)C2=C(SC=C2)C2=C1C=CS2	E10049
BrC1=CN=C2OCOC2=C1	E10108
O=C(NC1=NC=NC2=C1C=CN2)C1=CC=CC=C1	E10282
O=C(O)C1(C2=C(F)C=CC=C2)COC1	E10209
O=C1CC2=C(C=CC=C2)C2=C(C=CC=C2)N1	F31307
COC1=CC=C(N(C2=CC=C(OC)C=C2)C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)C=C1	E10324
Cl.FC1=CN=C(CCl)N=C1	P16513
COC(=O)C1=CC(CC#N)=CS1	F31351
CC(C)(C)OC(=O)N1CC2(CC2)OS1(=O)=O	V10180
N#CC1=CN=C(NC2=CC(NC[C@H]3CNCCO3)=C(C(F)(F)F)C=N2)C=N1	40098
C=CC[C@@](C)(C(=O)OCC1=CC=CC=C1)S(C)(=O)=O	F31397
CN1C(N)=N[C@](C)(C2=C(F)C=CC(NC(=O)C3=NC=C(F)C=C3)=C2)CS1(=O)=O	40103
O=C1C2=C(C=CC=C2)CCC1(Br)Br	F31370
CCOC(=O)CN(CC1(CO)CC1)C(=O)OC(C)(C)C	F31389
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C2=CC=C(Cl)C=C2)C1	F31390
CN(C)C1=C(C=O)C(Cl)=NC(Cl)=C1	F31391
CC(C)(C)[Si](C)(C)OC1=C2C(=O)CCC2=CC=C1	F31407
CC1=C(C(=O)NC2=CC=CC=C2)C(=O)C2=C(C=CC=C2)N1C	F31411
CC1=CC(N)=CC(Br)=C1C	55933
Cl.FC1=C([C@@H]2CCCN2)C=C(C(F)(F)F)C=C1	Y10732
Cl.FC(F)(F)C1=CC([C@@H]2CCCN2)=C(Cl)C=C1	Y10733
Cl.N#CC1=C(Cl)C=CC(CN)=C1	Y10669
CC1=CC(Br)=CC2=C1CCC[C@@H]2N.Cl	Y10717
CNC1=CC(C2=CC=CC=C2)=CN=C1[N+](=O)[O-]	Y10755
N#CC1=CN=C(Cl)C2=C1SC(Br)=C2	Y10756
CC1=CC2=C(N3CCCC3)N=C(N3CCCC3)N=C2N1C	Y10757
CCOC(=O)C1=CN(C)C(=O)C(C)=C1Cl	Y10759
Cl.N[C@H]1COC2=C1C=C(F)C=C2	Y10762
FC1=CNC2=C1C=NC(Cl)=N2	P16532
N#CCC1=C(Br)C=CC=C1Cl	56066
COC1=CC=C(C[Se]C[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)C=C1	F16409
CN1C=C(F)C2=C1N=C(Cl)N=C2	P16533
O=S(=O)(Cl)C1(C[C@@H](COCC2=CC=CC=C2)OCC2=CC=CC=C2)CC1	F51978
CN1C2=CC(O)=C(C(=O)O)C=C2C(C2=CN(CCC(=O)NC3=CC=C(C4=CC=CC=C4)C=C3)N=N2)=C1C1=CC=CC=C1	F51980
CC1(C)OB(C2=CN([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)N=C2)OC1(C)C	F51942
COC1=C(OC)C=C(N2C=NC3=C2C=CC(Br)=C3)C=C1	F51945
COC1=C(NS(=O)(=O)C2(C[C@H](O)CO)CC2)C(NC2=C(F)C=C(I)C=C2)=C(F)C(F)=C1	F51934
CC1=NNC2=C1N=C(Br)C=C2	F51957
C1=CC(C2=CC=C(CC3CO3)C=C2)=CC=C1CC1CO1	F51962
COC(=O)C1CCC([C@H](C)N)CC1	F51947
O=[N+]([O-])C1=CC(Br)=NC=C1F	F51954
NC1=CC=C(Cl)C(Br)=C1Cl	I11650
C[C@]1(F)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@H]1N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O	I11632
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC(Cl)=C2)[C@@H](C(=O)O)C1	I11584
CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cl	I11970
N#CC1=CC2=C(C=C1)NC=C2CCCCN1CCN(C2=CC3=C(C=C2)OC(C(=O)O)=C3)CC1	I11783
CC(C)(C)OC(=O)N1CCNC[C@@H]1CO.Cl	I11961
O[C@@H](CCl)C1=CC(F)=C(F)C=C1	I11943
N[C@H]1CCCC2=C1C=C(Cl)C=C2	I11950
C=C1C(=O)O[C@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]12	40180
CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@@](O)(CO)[C@@H]2CC(=O)[C@](C)(O)[C@H]2C1	40158
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@@H]21	40159
COC1=CC=C2CN(C)CC[C@@]34C=CC(=O)C[C@@H]3OC1=C24	40160
COC1=CC([C@H]2C3=C(C=C4OCOC4=C3)[C@@H](O)[C@@H]3COC(=O)[C@H]23)=CC(OC)=C1OC	40149
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C4C2)OC[C@H](O)[C@H]1OC(C)=O	40153
CC[C@@]12CCCN3CCC4=C([C@@H]31)N(C(=O)C2)C1=C4C=CC=C1	FD10193
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21	FD10128
C=CCS[S@](=O)CC=C	FD10435
Cl.N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1	FD10120
CC(C)(C)OC(=O)NC[C@@H](C(=O)O)C1=CC=C(Cl)C=C1	FD10295
CCC1=C2N=C(N3CCCC[C@@H]3CCO)C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1	40210
CC(C)(C)OC(=O)NC1=CC(B2OC(C)(C)C(C)(C)O2)=CN=C1F	FD10438
COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1	40188
O=C(CC1=CC(OC(F)(F)F)=CC=C1)NC1=NN=C(CCCCC2=NN=C(NC(=O)CC3=NC=CC=C3)S2)C=C1	40194
CN1CC=CCCOC2=CC(=CC=C2)C2=NC(=NC=C2)NC2=CC(=CC=C2)C1	40203
CNCC(=O)OCC1=CC=CN=C1N(C)C(=O)OC(C)[N+]1=CN(C[C@@](O)(C2=C(F)C=CC(F)=C2)[C@H](C)C2=NC(C3=CC=C(C#N)C=C3)=CS2)N=C1.O=S(=O)([O-])O	40206
N[C@@H](CC(=O)N1CCC2=C(C(F)(F)F)N=C(C(F)(F)F)N=C2C1)CN1CC(F)(F)CCC1=O.O=C(O)[C@H](O)[C@@H](O)C(=O)O	40207
CC1=CN(C2=CC(C(F)(F)F)=CC(/N=C(\O)C3=CC(NC4=NC(C5=NC=CN=C5)=CC=N4)=C(C)C=C3)=C2)C=N1	40208
COC1=CC=C(S(=O)(=O)N(C(C)=O)C2=C(/C=C/C3=CC=[N+]([O-])C=C3)C=CC=C2)C=C1	40209
NCC1=CON=C1.O=C(O)C(=O)O	H10991
Cl.N[C@H]1CC[C@H](C(=O)O)C1	H11003
CC(C)C1=CC=C(NC(=O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1	H11006
C1NCC2CNCC12	H11061
N#CC1=C(Cl)C2=CC=CC=C2N=C1Cl	H11062
CC1(C)OB(C2=CC3=C(N=C2)NC=C3Cl)OC1(C)C	H11073
CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)NC3=O)C=C(Br)C=C21	H11093
CCC/N=C1\S/C(=C/C2=CC(Cl)=C(OC[C@@H](O)CO)C=C2)C(=O)N1C1=C(C)C=CC=C1	H11187
Cl.N[C@@H](C1CC1)C(F)(F)F	H11102
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)C1	H11104
CCNC1=C(Cl)N=CN=C1Cl	H11109
O[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	H11113
CC1=NOC2=C1C1=C(CN(C(=O)OCC3=CC=CC=C3)CC1)C(=O)N2	H11114
COC1=CC2=C(C=C1)C(=O)NS2(=O)=O	H11126
OC1=C2N=C(Cl)C=CC2=CC=N1	H11165
N=C(N)C1=NN(CC2=C(F)C=CC=C2)C2=NC=CC=C12	H11168
NC[C@H]1CCC(F)(F)C1.O=C(O)C(=O)O	H11172
CN1C=NN=C1Br	H11179
CC(C)(C)OC(=O)N1C2C=C(B3OC(C)(C)C(C)(C)O3)CC1COC2	H11180
OCCC1=CC2=C(C=C1)SC=C2	H11183
NC1=CC2=CN=CC=C2C=N1	H11216
C#CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	S10542
O=C(O)C1=NC=CC2=C1N=CN2C1=CC=CC=C1	S10474
Cl.Cl.NCCC1=CN=CS1	S10751
O=C1C(=O)C2=CC=CC3=CC=C4C=CC=C1C4=C32	81519
CC1=CC=C(S(=O)(=O)OCCOCCOCCOCCO[C@@H]2CCCCO2)C=C1	S10772
CC(=O)SCC(=O)C1=CN=C(NS(=O)(=O)C2=CC=C(OCCCN(C)C)C=C2)C=C1	S10795
C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C1O	92460
CN1C(C2=CC=CC=C2)=NC2=CN=CC(Br)=C21	82368
C[C@H](Cl)C1=CC2=C(C=C1)SC=N2	92500
CC1=NN2C=C(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)C=NC2=C1	91993
O=C(NC1CC1O)OCC1=CC=CC=C1	92031
Cl.NC1(O)CC1	92034
Cl.Cl.N[C@H]1CC(F)(F)CC12CCNCC2	92450
O=CC1=C(C(F)(F)F)C2=NN=C(CC3CC3)N2C=C1	92236
CC1=CN=C2C=C(O)C=CC2=C1	92262
COC1=NC(C2CCCC2)=CC(C(=O)O)=C1	92297
COC1=C(C[C@](O)(C2CCOCC2)[C@H]2CNCCO2)C=C(F)C=C1.Cl	40220
CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](C(=O)O)CCS2(=O)=O	92310
CC(C)(C)OC(=O)N1CCC2(CC1)OCCC2=O	92325
O[C@H]1CCCC12CC2	92334
CN1N=NC2=C1N=C(Cl)C=C2	92359
NC1=NC(Cl)=CN=C1SC1=C(Cl)C(Cl)=NC=C1	92365
CCOC(=O)C1=CC(Cl)=C2CCN(C(=O)OC(C)(C)C)CC2=N1	92399
O=C(O)C1=NN(C2CC2)C=C1	92428
C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O	92461
CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)O)C1	92533
CC1(C)OB(C2=CC3=C(N=C2)NC=C3C(F)(F)F)OC1(C)C	92678
CC1=NN(C(C)C)C(C2=CN3CCOC4=C(C=CC(Br)=C4)C3=N2)=N1	92720
CC(C)C1=CNC2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C12	92669
CC1(C)OB(C2=CN=C3NC=C(C#N)C3=C2)OC1(C)C	92670
NC1=NN(C2=C(F)C=CC=C2F)C=C1	92814
CC1(C)OB(C2=CN=C(N)C(C3CC3)=C2)OC1(C)C	92681
COC(=O)C1=NNC=C1F	P16729
CC1(C)OB(C2=CC(CC(N)=O)=C(F)C=C2)OC1(C)C	92706
OC1=C2C=C(Cl)N=CC2=NC=C1	92762
COC(=O)C1=CSC2=NC=CN=C12	92796
O=C(O)C1=CC=CN=C1C(F)F	92834
CC1(C)OB(C2=C(F)C3=C(C=C2)NC=C3)OC1(C)C	P16588
OC[C@H]1CCCCO1	92919
CC1(C)C[C@H](O)CN1	P16596
Cl.N[C@H]1C[C@@H]1C1=CC=C(C(=O)O)S1	P16598
BrC1=CC2=C(C=C1)NCC21CCOCC1.Cl	P16599
Cl.FC(F)[C@H]1CCNC1	P16549
O=C(O)C12CC(O)(C1)C2	P16565
FC(F)(F)C1=CNC2=C1C(Cl)=CC(Cl)=N2	P16578
BrC1=CC=C(Br)N2N=CC=C12	P16579
CC1=CNC2=C1C(Cl)=NC(C)=N2	P16585
N[C@@H]1COCC(F)(F)C1	P16595
CC(=O)N1CCC(NC2=CC(C(=O)NC[C@H](O)CN3CCC4=C(C=CC=C4)C3)=NC=N2)CC1	P16607
CC1(C)NCC2=C1C=C(Br)C=C2.Cl	P16608
O=C(O)[C@H]1C[C@@H](F)C1	P16657
O[C@@H]1CCOC[C@@H]1F	P16658
COC(=O)[C@H]1CCC(C)(C)NC1	P16733
O=C(O)[C@H]1C[C@H](F)C1	P16826
CC(C)(C)OC(=O)N1C[C@H](N)[C@H](CO)C1	P16758
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](N)C1	P16762
CC(C)(C)OC(=O)N1C[C@@H](N)CC(F)(F)C1	P16768
CC(C)(C)OC(=O)N1CC(F)(F)CC[C@@H]1CN	P16772
CC(C)(C)OC(=O)N1CCC[C@H](N2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)C1	P16775
C#CC1(NC(=O)OC(C)(C)C)COC1	P16794
CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1F	P16803
CC(C)(C)OC(=O)N[C@H]1CCC2(CNC2)C1	P16809
NC1=CC=C(C2=CN=CC=C2)S1	P16926
CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2	40225
CC(C)C(=O)NC1=NC2=C(N=CN2[C@@H]2C[C@@H](OC(=O)NCC(=O)NCC(=O)O)[C@H](COC(=O)NCC(=O)NCC(=O)O)O2)C(=O)N1	40226
CCOC(=O)CC1=CC(CO)=CC=C1	P16761
C#C[C@@H]1COCCN1C(=O)OC(C)(C)C	P16874
CC1=CC2=C(C=C1)N=C1N(C3=CC=CC=C3)CC[C@@]1(O)C2=O	P16952
CCOC(=O)C1=C(C)C(OC)=NO1	P16883
O=C(O)C1=CC[C@@H](C2=CC=CC=C2)CC1	P16922
O=C1CCCCC2=C([N+](=O)[O-])C=CC=C12	P16923
CC1=CC=CC(CCN2CCC(C(=O)C3=CC=C(NS(C)(=O)=O)C=C3)CC2)=N1.Cl.Cl	P16946
O=C(NC1=CC=CC=C1)C12CC1/C(=N\O)C1=C(C=CC=C1)O2	P16954
CC(C)(C)OC(=O)NC(C)(C)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1	P17026
CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO	P16976
C1=CC=C(COC[C@@H]2NC[C@@H](OCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@H]2OCC2=CC=CC=C2)C=C1	P17068
N=C(N)NCC1=CC=CC(I)=C1.O=S(=O)(O)O	A10378
C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]3(COC(=O)C1=CC=CC=C1)C(=O)O2	40315
O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=C([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(O)=C12	40318
CC(C)(C)OC(=O)N[C@H]1CCC2=CC=CC(Br)=C21	F52040
CC(C)(C)OC(=O)N[C@H]1CCC2=CC=CC(Br)=C21	F52041
O=C1C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2	40269
C[C@@]12C[C@H](C3=COC=C3)O[C@@]13C[C@H](OC3=O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O	40271
O=C(/C=C/C1=CC=C(O)C=C1)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)[C@@H](O)[C@H](O)[C@H]1O	40273
COC1=C2C=C([N+](=O)[O-])C3=C(C(=O)O)C=C4OCOC4=C3C2=CC=C1	40293
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	40342
COC1=C(O)C=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C1O	40355
CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@](C)(O)CC1	40422
OC[C@@H]1O[C@H](OC2=CC3=C(C=C2)[C@H]2OC4=C(C=C5OCOC5=C4)[C@H]2CO3)[C@@H](O)[C@H](O)[C@H]1O	40378
C=C1CCC[C@@]2(C)CC3=C(C[C@H]12)C(C)=CO3	40385
CC(C)(C)OC(=O)N1C2=C(C=NC=C2)C2=C1C=C(C1=CN=C([N+](=O)[O-])C=C1)C=C2	E71391
CC(=O)O[C@H]1CO[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H](OC(C)=O)[C@@H]1O	40414
Cl.N[C@H]1C[C@@H]1C1=C(C(F)(F)F)C=CC=C1	E71449
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)O	40431
CCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1	70058
CC(C)=CCC1=C(O)C=CC(C2=COC3=C(C=CC(O)=C3)C2=O)=C1	40440
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@@]21O	40446
OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O.[Cl-]	40473
C[C@H]1O[C@H](O[C@@H]2[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@@H]3C3=CC[C@H]5[C@]6(C)C[C@@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)C(CO)(CO)[C@H]6CC[C@]5(C)[C@@]3(C)C[C@@H]4O)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[C@H]1OC[C@H](O)[C@@H](O[C@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H]1O	40475
C=C1[C@H]2CC[C@@H]3[C@@]4(C)C[C@@H](O[C@@H]5O[C@@H](CO)[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]5OC(=O)CC(C)C)C[C@H](C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1O.[K+].[K+]	40478
C/C=C1/[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC[C@@H]1O[C@H](OCCC2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	40496
COC[C@@]12CN(C)[C@H]3[C@H]4[C@@H](OC)[C@@H]1[C@@]3([C@H]1C[C@]3(O)[C@@H](OC(=O)C5=CC=CC=C5)[C@H]1[C@@]4(OC(C)=O)[C@H](O)[C@H]3OC)[C@H](OC)C[C@@H]2O	40514
CCCCCC/C=C\CCCCCCCCCC1=CC=CC(O)=C1C(=O)O	70027
O=C(/C=C/C1=C2C=C(C3=CC(O)=C(O)C=C3)OC2=C(O)C=C1)O[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O	70028
CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(=O)O	70030
CN1C(=O)[C@@H](N)C2=C(C=CC=C2)C2=C1C=CC=C2.Cl	F52154
CCCCCCC[C@H](O)CC(=O)CCC1=CC(OC)=C(O)C=C1	70060
CC(C)=C[C@@H](O)C/C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2	70064
C1=CCCC=CCC1.CC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C=C3C)C2[Ir+](C)C)C(C)=C1.[Cl-]	56129
C=C[C@H]1C[C@@]1(N)C(=O)NS(=O)(=O)C1CC1.CC1=CC=C(S(=O)(=O)O)C=C1	12705
COC1=C(F)C=CC2=C1N(C1CC1)C=C(C(=O)O)C2=O	56207
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CC1(C)OB(C2=NN3C=CN=C3C=C2)OC1(C)C	F52045
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CC(C)(C)NS(=O)(=O)C1=C(C2=CC=C(CN3C=CN=C3)C=C2)C=CS1	F52116
CC1(C)C(=O)NC2=C1C=CC(B1OC(C)(C)C(C)(C)O1)=C2	F52137
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CC(C)N1N=C(I)C2=C1C=C(Cl)N=C2	F52181
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CC(=O)C1=NC2=C(C=N1)N(C(=O)OC(C)(C)C)C=C2	F52235
CC1=NC2=C(O)C=C(C(=O)N(C)C)C=C2N1	F52242
CCOC(=O)C1=CN2CCCC3=CC=CC1=C32	F52360
O=C1CCCC2=NC=C(Br)C=C12	F52282
CCN1CCN(C(=O)C2=NN=C(Cl)C=C2)CC1	F52433
CC(C)C1=NC=CN1C1=CN=CC(Cl)=N1	F52455
FC1=CC2=NC=CC=C2C(Br)=C1	K10116
NC1=CC(F)=CC2=NC=CC=C12	K10117
O=CC1=C2C=C(Br)C=NC2=CC=C1	K10118
NC1=CC(Cl)=CC2=NC=CC=C12	K10119
CC(=O)C1=CC=CC2=NC=C(N)C=C12	K10120
CCOC(=O)C1=CN=C2C(Br)=CN=CC2=C1	K10123
NC1=C2N=CC(Br)=CC2=CC=N1	K10133
NC1=NC=CN=C1C1CC1	60029
CC1=CC=CC(C2CC2)=C1N	60035
CCC1=NC=CC(C)=C1N	60037
CN(C(=O)OC(C)(C)C)C1CCC(N)CC1	AB10029
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CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)CC#N	AB10314
CN1CC2=C(Cl)C=C(Cl)C=C2[C@H](C2=CC(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C3=CC([C@@H]4CN(C)CC5=C4C=C(Cl)C=C5Cl)=CC=C3)=CC=C2)C1	40519
N#CC1=C(Cl)C=C(N)N=C1	I11985
Cl.N[C@@]1(C2=C(Cl)C=CC=C2)CCC[C@@H](O)C1=O	56315
CC1(C)OB(C2(C3=CC=CC=C3)CC2)OC1(C)C	F52478
COCC1=C(F)C=C(B(O)O)C=C1	I12183
CC[N+]1=C(/C=C/C=C\C=C2\N(CCCCCC(=O)O)C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2	40527
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COC1=C(C(F)(F)F)C=NC(N)=C1	FD10666
O=C([O-])[C@]1(CCCCCCOC2=CC=C(Cl)C=C2)CO1.[Na+]	FD10620
CCN(CC)C1=CC=C(C(=C2C=CC(=[N+](CC)CC)C=C2)C2=C(S(=O)(=O)[O-])C=CC(S(=O)(=O)[O-])=C2)C=C1.[Na+]	FD10698
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C[C@H]1[C@@H](O)CN1C(=O)OC(C)(C)C	97519
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O=C(O)C1=NC=C2N=CNC2=C1	79971
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CC(C)(C)OC(=O)N[C@H]1CCCC(F)(F)[C@H]1N	93565
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CC1=C(C2=CC=C([C@H](C)N)C=C2)SC=N1.Cl	94774
CC(C)(C)OC(=O)NC[C@H](F)C(=O)O	94839
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CC(C)(C)OC(=O)N1CC[C@@](F)(CO)C1	94892
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
N#CC1CC1B(O)O	95302
CC1(C)OB(C2CC2C#N)OC1(C)C	95303
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CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCC3=CC=CC=C3)C[C@@H]2C(=O)O)C1	95369
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COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C2=CC3=C(C=C2)C2=CC4=C(C=CC(C5=CN=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)N5)=C4)N2[C@H](C2=CC=CC=C2)O3)=CN1)C(C)C	40555
CCC[C@H]1CCCCN1.Cl	Y10909
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CC(C)(C)OC(=O)N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O	Y10841
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COCC1=CC([C@@H](N)CO)=CC=C1.Cl	Y10832
C[C@@H](O)[C@H](N)C1=CC=CC=C1.Cl	Y10854
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CC1=C(Cl)C(C)=C(C#N)C(S)=N1	Y10779
CSC(=NC1=NC=CC=C1)SC	Y10780
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CSC1=CC([C@@H](N)CO)=CC=C1.Cl	Y10824
COC1=C(Br)C2=C(C=C1C)CCCC2=O	Y10827
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CCC2.Cl	Y10828
CN1N=CC2=CC(Cl)=NC=C21	Y10961
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COC[C@H](N)C1=CC=C(C#N)C=C1.Cl	Y10877
COC(=O)[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y10883
COC(=O)C1=C(OC)C=CC([C@@H]2CCCN2)=C1.Cl	Y10983
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CC1=C(N)C2=C(C=C1)NN=C2	Y10965
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CC(C)(C)N1N=CC=C1NC1=CN=CC(CO)=N1	W13392
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C[C@H]1COCCN1C1=CC(CI)=NC(Cl)=N1	W13291
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CC(C)(C)OC(=O)N1CCN(C2=C3C=C(Cl)C(Br)=CC3=NC=N2)CC1	W13346
CC(C)(C)[Si](OC1CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1	W13348
CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1F	W13304
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CC1=CC(C)=NC2=C3C(O)=CC=CC3=CC=C12	W13423
CCOC(=O)C1=C(Br)C(CBr)=NN1C	W13431
OC1=CC=C([C@@H](O)C(F)(F)F)N=C1Cl	W13433
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2	W13359
CC(=O)NC1=C(C(N)=O)N(C)N=C1C	W13369
CC1=CC=C(S(=O)(=O)OC[C@H]2CN(C3=CC(F)=C(N4CCSCC4)C=C3)C(=O)O2)C=C1	W13382
CN(C)C1=NC[C@@H](C2=CC3=C(C=CC=C3)O2)C1	W13402
NC1=NC=C2C(F)=CC(Br)=CC2=C1	W13410
CCOC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCC2=NN1C	W13426
C=CCCC1=NC(O)=C(C(=O)O)C=C1	W13441
COC(=O)CCC(=O)[C@H](CC1=CC=CC(F)=C1)NC(=O)OC(C)(C)C	W13455
COC(=O)C1=C2CCCC(=O)C2=CN1	W13485
CC1=C(Br)N2C=C(F)C=CC2=N1	W13586
CC(C)(C)OC(=O)N1CCC(CNCC(=O)O)CC1	W13545
CCOC(=O)[C@H]1CNCCC12CN(C(=O)OC(C)(C)C)C2	W13549
CC(=O)NC[C@H]1CN(C2=CC(F)=C(N3CCS(=O)(=O)CC3)C=C2)C(=O)O1	W13550
CC(=O)NC[C@H]1CN(C2=CC(F)=C(N3CCS(=O)CC3)C=C2)C(=O)O1	W13551
CC(C)(C)OC(=O)NC(C)(C)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1	W13460
ClC1=CC=NC2=C(C3=CC=CC=C3)C=NN12	W13476
Cl.NCCC1(C(F)(F)F)CCC1	W13496
CN1C(C(=O)O)=CC2=C1C1=NC=CC=C1OC2	W13501
CCC1=NC2=C(C)C=C(C)N=C2N1CC1=CC=C(Br)C=C1	W13504
O=C1CCN2C(C3CCCCC3)=NC3=C(Cl)C=CC1=C32	W13531
CCOC(=O)C1=CN=CC(C2=CC=CC=C2)=C1	W13532
Cl.NC1=NC=CC(N2CCC3=C2C=C(Br)C=C3)=N1	W13595
FC(F)(F)C(F)(F)C(F)(F)COC1=CC(CCl)=NC=C1	W13605
O=C(O)C1=CC=C([C@H]2C[C@@H]2C2=C(Cl)C=C(OCC3=C(C4CC4)ON=C3C3=C(Cl)C=CC=C3Cl)C=C2)C=C1	W13538
NC1=CC(F)=C(N2CCC(F)(F)CC2)C(F)=C1	W13559
CN1CCN(C2=C(NC(=O)C3=C(C(F)(F)F)C=C(O)N=C3)C=C(C3=CC(CN4CCOCC4)=CC=C3)C=C2)CC1	W13579
OC1=NC(O)=C2SCCCC2=N1	W13622
Cl.N=C(N)NC1=CC=C(CCN2CCOCC2)C=C1	W13630
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C	W13647
COC(=O)C1=C(C2CC2)ON=C1C1=C(Cl)C=CC=C1Cl	W13757
O=C(O)C[C@@H](CC1=C(F)C=CC=C1)C(=O)O	W13683
O=C(O)C[C@@H](CC1=CC=CC(F)=C1)C(=O)O	W13684
COC1=CC=CC(C[C@H](CC(=O)O)C(=O)O)=C1	W13691
CC1=CC=C(C[C@H](CC(=O)O)C(=O)O)C=C1	W13692
CC1=NN(C)C(C(=O)O)=C1F	W13697
BrC1=CC=C(C2=CNC([C@@H]3CCCN3)=N2)C=C1.Cl	W13726
CC1=CC=C(S(=O)(=O)OCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)C=C1	W13728
CCCCOC1=NC(N)=C2N=C(OC)N([C@@H]3CCCCO3)C2=N1	W13729
CCOC(=O)C1=C2C=C(C(=O)OC)C=CN2N=C1	W13752
CC1=CC=C2C(N3CCN(CCC4=CC=CC(N5CCNC5=O)=C4)CC3)=CC=CC2=N1	40622
CCC1=C(CC(=O)N(CCOC)CCOC)C(C(=O)C2=CC(OC)=C(OCCN3CCOCC3)C=C2)=C(O)C=C1O	40628
COCCN1CCN(CC2=CC=C(C3=NNC4=C3C(=O)C3=C(NC(=O)NN5CCOCC5)C=CC=C43)C=C2)CC1	40632
CC(C)(C)OC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1	W13789
CC1(C)OB([C@H]2CCC3=C(C=CC=C3)C2)OC1(C)C	W13791
CC(C)(C)OC(=O)N[C@@]1(C)CCNC1	W13804
N#CC1=C(OC2=CC=CC(OS(=O)(=O)CCCC(F)(F)F)=C2)C=CC=C1C(F)(F)F	40699
CN(C)C1=C2C=CC=C(S(=O)(=O)NC3=CC=C(NC(=O)C(C)(C)CO)C=C3)C2=CC=C1	40749
CC1=NC(/C=C(\C)[C@H]2C[C@H]3O[C@@]3(C)CCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)N2)=CS1	40753
FC(F)(F)C1=CC=CC2=NC(C(F)(F)F)=C(Br)N12	W13830
O=C(NC1=CC=CC(NC2=NC(NCCC3=CNC=N3)=C(Br)C=N2)=C1)N1CCCC1	40651
NCC1=CN=C2C=CC(F)=CN12	W13831
CC(C)C1=CC=CC(F)=C1N	W13839
CC(C)C1=C(N)C=CC(F)=C1	W13840
CN(C)CC[C@@H](CSC1=CC=CC=C1)NC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)C=CC=C4)CC3)C=C2)C=C1	40619
CC1=NN=C2[C@H](CC(=O)NC3=CC=C(O)C=C3)N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N12	40759
CC(C)(O)CNC1=NC(C2=NC(C(F)(F)F)=CC=C2)=NC(NC2=CC(C(F)(F)F)=NC=C2)=N1	40818
CCCC1=C2C(=CC3=C1OC(C(=O)O)=CC3=O)C(=O)C=C(C(=O)O)N2CC	40655
CONC(=O)NC1=CC=C(C2=C(CN(C)C)C3=C(S2)N(CC2=C(F)C=CC=C2F)C(=O)N(C2=NN=C(OC)C=C2)C3=O)C=C1	40642
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)CF	40670
NC(=O)OCC(COC(N)=O)C1=CC=CC=C1	40743
CN(C)C(=O)C1=CC=C(S(=O)(=O)C2=CC(Cl)=C(NC(=O)[C@@](C)(O)C(F)(F)F)C=C2)C=C1	40746
C#CC1=CC=CC(NC2=C3C=C4OCCOCCOCCOC4=CC3=NC=N2)=C1	40667
CC1=NC=C(C2=CC=NC(NC3=CC=C(S(C)(=O)=O)C=C3)=N2)N1C(C)C	40668
CC1=CC=CC(C2=NN(C(=S)NC3=CC=CC=C3)C=C2C2=CC=NC3=CC=CC=C32)=N1	40588
COC1=C(C(=O)NC2=CC3=C(C=C2N2CCCC2)N(C)C(=O)N3C)C=CC=C1	40591
CC1=CC=CC2=C1C(=O)N(C1=C(C)C=CC=C1)C(CN1N=CC3=C(N)N=CN=C31)=N2	40592
O=C1NN=C(SC2=NC=C([N+](=O)[O-])S2)N1C1=CC2=C(C=C1)OCCO2	40602
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C	40640
CC(=O)[C@@]1(O)CC2=C(C(O)=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)[C@H](O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1.Cl	40671
CNCCN1C(=O)C2=C(C=C(OC)C(OC)=C2)C2=C1C1=CC3=C(C=C1N=C2)OCO3	40679
N#CC1=C(C2=CC=CC=C2)C=C(C2=C(O)C=CC(Br)=C2)NC1=O	40682
CCC1=NN(CCO)C(CC)=C1OC1=CC(C#N)=CC(C#N)=C1	40687
CN1C(=O)C(OC2=C(F)C=C(F)C=C2)=CC2=C1N=C(NC(CCO)CCO)N=C2	40690
COC1=C(OC)C(=O)C(CCCCCCCCCCC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C(C)C1=O.[Br-]	40692
CC1=C(N)C=CC(CN2N=NC3=C2N=C(N)N=C3C2=CC=CO2)=C1	40693
CNC(=O)C1=CC2=CC=C([C@]3(O)CCN4C=NC=C43)C=C2C=C1	40673
O=C1C(CC2=CC=C(O)C=C2)=NC2=C(CC3=CC=CC=C3)NC(C3=CC=C(O)C=C3)=CN12	40674
CN1CCN(CC2=CC=C(C3=CN=C4NC=C(C5=CC6=C(C=C5)NC=C6)C4=C3)C=C2)CC1	40917
COC1=C(Cl)C2=CC(=C1)CC(C)=CC=C[C@@H](OC)[C@@]1(O)C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCS)CC(=O)N2C	40838
O=C(NC1=NC2=C(C=C(NC(=O)C34CC5CC(CC(C5)C3)C4)C=C2)S1)C1=CC=CC=C1	40708
COCCOC1=CC2=C(C=C1)N(C1=NC3=C(N4CCC(N)CC4)C=CC=C3C=C1)C=N2	40715
CC(=O)C1=CC=C(/N=N/C(C(N)=O)=C2/NC(C)(C)CC3=C2C=CC=C3)C=C1	40717
COC1=CC(Br)=C(NC2=NC(C3=C(C)N=C4N=CC=CN43)=CS2)C(Br)=C1	40723
CC1=C(C(=O)OC2CCCCC2)[C@H](C2=CC=C([N+](=O)[O-])C=C2)C2=C(CC(C)(C)CC2=O)N1	40725
CC1(C)OC(C2=CC=C(S(N)(=O)=O)C=C2)=C(C2=CC(F)=CC=C2)C1=O	40732
CC(=O)N1CCC2(CC1)C1=C(C=CC(C#C[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)=C1)C1=C2C=C(C#C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C1	40796
CC(C)(C)C1=CC([C@H](CC(=O)O)NC(=O)CNC(=O)C2=CC(O)=CC(NC3=NCC(O)CN3)=C2)=CC(Br)=C1	40803
COC1=CC=C(OC2=NN3C(C4=CC(C)=C(C(=O)NC5CC5)C=C4)=CN=C3C(CCC(F)(F)F)=C2)C(F)=C1F	40804
COC1=C(C)C(CN2C=C(C(=O)NCCO)C3=NC=C(C)C=C32)=NC=N1	40808
C=CCN(C)CCCCCCOC1=CC(F)=C(C(=O)C2=CC=C(Br)C=C2)C=C1.O=C(O)/C=C/C(=O)O	40770
CC1(N)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1	40779
C=CC(=O)N[C@@H]1CCOC[C@@H]1NC1=NC=C2C=C(C3=C(Cl)C(OC)=CC(OC)=C3Cl)C=CC2=N1	40788
CC1=C(C(=O)NC2=CC(Cl)=C(C(=O)N3CC4=CC=CN4CC4=C3C=CC=C4)C=C2)C=C(F)C=C1	40792
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1	40810
COC1=CC2=NC(N3CCCN(C)CC3)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C2C=C1OC.Cl.Cl.Cl	40839
CN(C)C1=CC=CC(C2=C3C(=O)N(C4=C(Cl)C=CC=C4)NC3=CC(=O)N2C)=C1	40924
COCCOC1=CC2=C(C=CN([C@@H](C)C3=NN=C4C(F)=CC(C5=CN(C)N=C5)=CN43)C2=O)N=C1	40935
O=C(/C=C/N1C[C@@H]2C[C@H]1CN2C1=NC=CC=C1)C1=C(O)C=CC=C1	40992
N#C[C@H](C1=NC(NCCC2=CN=CC=C2)=NC=C1)C1=NC2=C(C=CC=C2)S1	40994
CCCC1=C(CNC(=O)C2=C3C=NN(C(C)C)C3=CC(C3=CC(N4CCN(C)CC4)=NC=C3)=C2)C(=O)NC(C)=C1	40860
CCCC[C@@]1(CC)CS(=O)(=O)C2=C(C=C(OC)C(CNC(CC(=O)O)CC(=O)O)=C2)[C@H](C2=CC=CC=C2)N1	40861
CN1CCN(CC2=CC=C(NC3=NC(NC4=C(S(=O)(=O)N(C)C)C=CC=C4)=C(Cl)C=N3)C=C2)CC1	40865
CC(C)C(=O)NC1=NC=C(C2=CC(C(F)F)=NN2C2=C(Cl)C=CC=C2Cl)S1	40867
O=C(NC1=NC=C(C2=CC(C(F)F)=NN2C2=C(Cl)C=CC=C2Cl)S1)C1CC1	40868
COC1=CC2=C(C=C1OC(C)C)[C@H](C1=CC=C(Cl)C=C1)N(C1=CC=C(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)C=C1)C(=O)C2	40876
C=CC1=C(C)C2=NC1=CC1=C(C)C(CCC(=O)O)=C(C=C3N=C(C=C4NC(=C2)C2=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@]42C)C(C)=C3CCC(=O)OC)N1	40881
CC1=NOC(C2=CC=C(C3=CC=C(C4(C(=O)O)CC4)C=C3)C=C2)=C1NC(=O)O[C@@H](C)C1=CC=CC=C1	40894
CN1C=C(C2=C(C3=CC(N)=CC=C3)C(=O)NC2=O)C2=C1C=CC=C2	40901
CN(C)CC#CC1=CC(F)=C(OCCCC2=C(C(=O)O)N=C(N3CCC4=CC=CC(C(=O)NC5=NC6=C(C=CC=C6)S5)=C4C3)S2)C=C1	40910
O=C(NC1=CC=CC2=CC=CN=C21)C1=CC=C(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)C=C1	40946
C[C@H](N/C(=N\C#N)NC1=CC=CC2=NC=CC=C12)C1=CC=CC=C1	40948
CC(C)C[C@@H](NC(=O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1)B(O)O	40967
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(C3=CC=CC=C3)C3=CC=CC=C3)N2C1=O	40968
COC1=CC=C(C2=C(C3=CC=C(OC)C=C3)N(CC3=CC=C(C(N)=O)C=C3)C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=N2)C=C1	40973
CN1CC[C@H](C2=C(O)C=C(O)C3=C2OC(C2=C(Cl)C=C(C(F)(F)F)C=C2)=CC3=O)[C@H]1CO	40984
CC(C)/N=C(\NC(C)C)OCC1=CC=CC=C1	F16674
CCC(F)(CC)C(=O)O	F16821
Cl.N[C@H]1CCOC2=C1C=C(OC(F)(F)F)C=C2	F16914
N[C@@H](CCCC(=O)O)C1=CC=CC=C1	F16862
C[C@H](N)[C@H](C)O.Cl	F16993
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CCC2.Cl	F16994
O=C1NCC2=C(F)C(Cl)=NC(Cl)=C12	F17148
Cl.N#CC1=CC=C(CN2C=NC=C2CN2CCN(C3=CC=CC(Cl)=C3)C(=O)C2)C=C1	F17426
CC1=CN=C(C)C2=NC([C@H]3C[C@@H]3C3=C(C)N4C=CC5=C(C=CC=N5)C4=N3)=NN12	F17413
O=C(NO)C1=CC(C(=O)NCCC2=CC=CC=C2)=CC=C1	F17415
Cl.NC[C@@H]1OB(O)C2=C1C=CC=C2OCCCO	F17416
O=C(O)C1CN(C2=NC=CC=C2)C1	F52548
CS(=O)(=O)NC1=CC=C(CCNCCOC2=CC=C(NS(C)(=O)=O)C=C2)C=C1	F17402
C=CC(=O)NC1=CC=CC(C2=C3N=C(NC4=CC=C(N5CCN(CCO)CC5)C(F)=C4F)N=CC3=CC=C2)=C1	F17404
FC1=C(C2=NC(N3CCOCC3)=C3SC(CN4CCN(CC5CC5)CC4)=CC3=N2)C2=C(C=C1)NC=C2	F17360
COC1=CC=C(CN2C=CC3=C2C=C(C(=O)NO)C=C3)C=C1	F17362
CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1	F17372
O=C(NC1=CNN=C1C1=NC2=C(C=CC(CN3CCOCC3)=C2)N1)NC1CC1	F17373
CC(C)(C)C1CCC(CC2=C(O)C(=O)C3=C(C=CC=C3)C2=O)CC1	F17374
O=C(NC1CC1)C1=NOC(C2=CC=CS2)=C1	F17380
NC1=CC=C2N=CN=C(NCCC3=CC=C(OC4=CC=CC=C4)C=C3)C2=C1	F17390
N#CC1=CC(N2C(=O)CC[C@H]2C(=O)N(C2=CN=CC(F)=C2)C(C(=O)NC2CC(F)(F)C2)C2=C(Cl)C=CC=C2)=NC=C1	41508
Cl.N[C@@]1(C2=C(Cl)C=CC=C2)CCC[C@@H](O)C1=O	56327
CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O	F52515
C[C@H](O)C1=C(Cl)C=NC=C1Cl	F52516
CC1=CC=C(S(=O)(=O)N2CC3(CC(C(=O)O)C3)C2)C=C1	F52591
O=C(O)C1(C(F)F)CC1	CS3004
O=C1NCC2=C1C=NC=N2	F52634
N[C@@H]1CO[C@H]2[C@@H](O)CO[C@H]21	97357
N#CC1=CC=C(Cl)C(Cl)=C1F	95629
COC(=O)C1=C(C)NC(C2=NC=CS2)=N[C@H]1C1=C(Cl)C=C(F)C=C1	97380
N[C@H]1CCC[C@H]1C(=O)O	97382
COC1=C(O)C=CC(/C=C/C(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@@H](C4=C(OC)C=C5OC(C6=CC=C(O)C=C6)=CC(=O)C5=C4O)O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C1	41759
C[C@@H]1CC2=C(NC3=CC(Cl)=C(F)C=C32)[C@]2(N1)C(=O)NC1=C2C=C(Cl)C=C1	41557
CN1C[C@H](O)[C@H](N)C1.Cl.Cl	P17126
CN(C)CC1=CC=C2C(Cl)=CC(Cl)=C(O)C2=N1	P17129
C1=NC2=CC3=C(C=C2N=C1)C1CNCC3C1.O=C(O)[C@@H](O)[C@H](O)C(=O)O	41562
CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12	41565
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=C(F)C=C(NC(=O)C2=CN(C(C)C)C(=O)N(C3=CC=C(F)C=C3)C2=O)C=C1	41567
[2H]C1=NC(C)=NC([2H])=C1C1=CC(NC[C@H](C)C2=C3N=CC=C(C(=O)NC)C3=CC=C2)=NC=N1	41568
O=C(CN1CCC(CN2CC3=C(C=CC=C3)C2=O)CC1)C1=CC=C(F)C=C1	41571
COC(=O)C12CC(N)(C1)C2	P17080
CC(C)(C)OC(=O)N1CCC(O)(CN2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)CC1	P17087
CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](N)C1	P17119
Cl.N[C@@H]1CCOC[C@@H]1F	P17093
CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@H]2O	P17105
C=C[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@@H]41)[C@@]1(C(=O)NC4=C1C=CC=C4)[C@H]32	41928
Cl.N[C@@H]1CCOC[C@@H]1F	P17094
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	P17096
Cl.O[C@H]1CCC12CNC2	97369
C=CC(=O)NC1=C(NC2=CC(N(C)C(=O)NC3=C(Cl)C(OC)=CC(OC)=C3Cl)=NC=N2)C=CC(N2CCN(CC)CC2)=C1	43710
CN1C(=O)COC[C@@H]1CO	56558
CC(=O)C1=CN=C(C(F)(F)F)N=C1	56562
CO[C@@H]1C[C@H]2CNCCN2C1	56603
Cl.O=C1NCCC2CNCCC12	56613
O=C1CCN2CCOC[C@@H]2C1	56621
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC=C(C#N)C=C1	56709
Cl.N#CC1=CC=C([C@@H](N)C(F)(F)F)C=C1	56723
CC1=CN2N=C(Cl)C=C(Cl)C2=N1	56744
CC1(C)OB(C2=C3OCCCN3N=C2)OC1(C)C	56816
CN1CCN2N=CC(Br)=C2C1	56827
CC1(C)CC2=C(B3OC(C)(C)C(C)(C)O3)C=NN2C1	56842
C[C@H]1CC2=CC=NN2C1	56875
CCOC(=O)C1=C2CCCN2N=C1	56916
CC(C)(C)OC(=O)N1CC[C@@H]1CCN	56978
CC(C)(C)OC(=O)N1CC[C@@H]1CC#N	56980
CC(C)(C)OC(=O)N1CC[C@@H]1CCN	56982
C[C@H]1CC2=C(SC(C(=O)O)=C2)C2(CCN(C(=O)OC(C)(C)C)CC2)O1	58213
N#CC1=CC(F)=C([C@@H]2CCC3=CN=CN32)C=C1	56429
CC[C@@]1(O)C(=O)OCC2=C1C=C1C(=O)CCN1C2=O	S10949
O=C(O)C1=CC2=C(C=NC=C2F)S1	57199
CC1=C(C(=O)O)SC2=CN=CC(Br)=C21	57201
OC1=C2C=C(Br)C=NC2=NC=C1	57893
CC1(C)OCC2=CN=C(C(=O)O)C=C21	57297
O=C1CCC2(CC1)CC2(F)F	57379
O=C(O)C12CCC(O)(CC1)C2	57455
Cl.NC12CCC(O)(CC1)C2	57457
CC12CC(C(=O)O)(C1)C2	57463
CC12CC(N)(C1)C2.Cl	57465
ClC1=NC=NC2=C1OC1=C2CCCC1	57530
O=C(N[C@H]1COCCNC1=O)OCC1=CC=CC=C1	57965
COCCCOC1=C(OC)C=CC(C[C@H](N)C(C)C)=C1	57729
C1CC1OC1CNC1.Cl	57767
CC(C)N1C=NN=C1C1=CC=CC(N)=N1	57930
CC(C)N1C=NN=C1C1=CC=CC(Br)=N1	57933
O=C(N[C@H]1COCCNC1=O)OCC1=CC=CC=C1	57964
Cl.N[C@H]1COCCNC1=O	58513
CN1C(=O)[C@@H](NC(=O)C2=NNC(CC3=CC=CC=C3)=N2)COC2=C1C=CC=C2	41517
Cl.F[C@H]1CNC[C@@H]1F	57973
O=C(O)[C@H]1C[C@@H]1C1=CC=C(Cl)C=C1	58111
OC[C@H]1C[C@@H]1C1=CC=C(Cl)C=C1	58117
O=C(O)[C@H]1C[C@@H]1C1=CC=C(F)C=C1	58129
CC1(C)OB(C2=CC(C(F)(F)F)=NC(C(F)(F)F)=C2)OC1(C)C	58190
CCS(=O)(=O)C1=CN=C(CN)C=C1.Cl	58224
N#CC1=C2C=C(Br)C=CN2N=C1	58299
C#CC1CCC(C(=O)OC)C1	58316
CC(C)(C)OC(=O)N1CCC2=C(C1)C(CO)=NN2	58393
COC1=NC=CC(I)=C1C(=O)O	58423
CC(C)(C)OC(=O)N1C[C@@H]2NCCO[C@H]2C1	58463
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	58498
C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	58501
COC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1.Cl	60087
NC1=C(F)C2=CC=CN=C2C=C1	95705
NC1=CC2=CC=CN=C2C(C(F)(F)F)=C1	95707
N#CC1=CN=C2C=CC=C(Cl)C2=C1	95711
CC(C)(C)OC(=O)N(CCNC(=O)OCC1=CC=CC=C1)C(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	AB22241
N#CC1C(=O)NC(=O)C(C#N)C12CCN(CC1=CC=CC=C1)CC2	AB19127
C[C@]1(O)CCNC1.Cl	95716
O=C(O)CC1=CN=C(Br)C=C1	AB22208
CCOC(=O)C1=C([S@](C)=O)N(C2CC2)C2=C(C=CC(Br)=C2OC)C1=O	AB22503
CCOC(=O)C1=C([S@](C)=O)N(C2CC2)C2=C(OC)C(F)=C(F)C=C2C1=O	AB22525
CCOC(=O)C1=C(SC)N(CC)C2=C(OC)C(F)=C(F)C=C2C1=O	AB22539
CS(=O)(=O)O.C[C@H]([C@H](O)C1=CC=C(O)C=C1)N1CCC(O)(C2=CC=CC=C2)CC1.O.O.O	41534
CN1C2=C(C3=CC=CC=C3C=C2)C(C)(C)/C1=C\C=C\C=C\C1=[N+](CCCCCC(=O)O)C2=C(C3=CC=CC=C3C=C2)C1(C)C.[Cl-]	41542
Cl.O=C1NC[C@@H]2CNC[C@H]12	H11466
OC1=C(F)C=C2C=CNC2=N1	P17198
COC1=NC2=C(C=C1)C(Br)=CN2	P17199
O=C(O)C1(O)COC1	P17225
O=P(O)(O)C(Cl)(Cl)P(=O)(O)O	H11492
FC1=CC2=C(N=C1Br)NC=C2	P17197
CNC1=NC=C(B(O)O)C=C1	H11504
N#CC1=C(N)SC2=C1C=CC(Cl)=C2	H11588
CC(F)(F)C1(CO)COC1	P17281
C[C@H]1CNC[C@H](C)N1C.Cl.Cl	P17284
CC(C)(C)OC(=O)N1C[C@H](CN)C(F)(F)C1	P17202
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[C@@H]2O	P17203
Cl.NC1CC2C(C1)C2(F)F	P17209
C#CC(C)(C)CC1=CC=CC=C1	P17156
C[C@H]1CC(C(=O)O)CN1C(=O)OC(C)(C)C	P17324
Cl.O=C(O)[C@@H]1C[C@@H](S)CN1	P17325
C[C@@H]1CNC[C@]1(CC(=O)OC(C)(C)C)C(=O)O	P17326
N#CC1=CC2=C(N=CC=C2)N1	P17159
CC1(C)OB(C2=CC(=O)C[C@@H](C(F)(F)F)C2)OC1(C)C	P17171
O=C1CCCC(O)=C1I	P17172
CC(C)(C)OC(=O)N1CC2CCC(C1)C2C=O	P17184
OC1=C2C=C(Cl)C(Br)=C(F)C2=NC=N1	P17185
CC(C)(C)OC(=O)NC12CC(CN)(C1)C2	P17187
C[C@@]1(C(=O)O)CCCCN1	P17191
CC1C(C(=O)O)CN1C(=O)OC(C)(C)C	P17195
COC(=O)C1=C2C(C)=CNC2=NC=C1	P17196
O=C1NCCOC2=C1C=C(C1=CC=C(OC(F)(F)F)C=C1)C=C2	P17214
O=C(CC1CCNCC1)N1CCC([C@@H]2C3=NC=C(Br)C=C3CCC3=CC(Cl)=CC(Br)=C32)CC1	P17219
COC1=C(OC)C=C2C(=C1)CCN1C[C@H](CC(C)C)[C@H](O)C[C@@H]21	P17220
CC1(C)CC[C@@H]1O	P17222
N#CC12CC(N)(C1)C2	P17223
O=C(O)C12CC(C(F)(F)F)(C1)C2	P17224
NC1(C(=O)O)CC(O)C1	P17228
CC(C)(C)OC(=O)NC1(CN)COC1	P17230
CC(C)(C)OC(=O)NC1CCC1N	P17231
O=C(O)C1(CC(F)F)CCC1	P17232
NCC1(C(F)F)COC1	P17233
OCC1(C(F)F)COC1	P17235
CN1C=C(Br)C(F)=N1	P17318
CC(C)C1(CO)COC1	P17239
CC(F)(F)C1(C(=O)O)COC1	P17242
O=C(O)C1(C(F)F)COC1	P17243
NCC[C@H]1CCO1	P17247
C[C@@H]1C[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	P17249
CN1C=C(O)C=CC1=O	P17267
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2N	P17271
C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1	P17274
CC1=CC=C(Br)C2=CC=NN12	P17362
CC(C)(C)OC(=O)N1CCC(N)(C2=CC=CC=C2)CC1	P17275
CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O	P17276
C[C@H]1CNC[C@H](C)N1C.Cl.Cl	P17292
C[C@H]1CNC[C@H](C)N1C.Cl.Cl	P17293
CCOC(=O)C1=CC=C2C=CC(Cl)=NC2=C1	P17294
C[C@H]1C[C@@H](O)C[C@@H](C)N1C(=O)OC(C)(C)C	P17416
COC(=O)[C@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1	P17295
O=C1CCCC2(CC2)C1	P17305
COC1=C(O)C=C2C(=C1)N=CN=C2NC1=CC=C(Cl)C(Cl)=C1F	P17308
CCOC(=O)C1=NC2=C(C=CN2)C(Cl)=N1	P17309
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O	P17314
O=C1C[C@H](C2=CC(F)=C(F)C(F)=C2)CN1	P17339
CC(C)(C)OC(=O)N1CC[C@H](N)C(F)(F)C1	P17431
CC(C)(C)OC(=O)N1CC[C@H](N)C(F)(F)C1	P17432
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](F)C1	P17441
CC1CC(N)CN(C(=O)OC(C)(C)C)C1	P17442
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](F)C1	P17443
COC(=O)CC1=CN=C(Br)C=N1	P17446
C[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C	P17346
NC1=NN(C(F)(F)F)C=C1	P17347
COC(=O)C1=CC(Cl)=CC2=CN=CN21	P17351
CC1=C(Br)C=CNC1=O	P17354
ClC1=C(Br)C=CN2N=CC=C12	P17356
ClC1=C2NN=CC2=C(Br)C=N1	P17371
CC(C)(C)OC(=O)N1CCC[C@@](F)(CO)C1	P17385
O=C1NCCC2=C1C=CO2	P17386
CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1	P17388
CC1(C)OB(C2=CN(CC3CCS(=O)(=O)CC3)N=C2)OC1(C)C	P17391
CC(C)(C)OC(=O)N1CCCC12CC(O)C2	P17392
O=C(O)C12CC(Cl)(C1)C2	P17395
CC(C)(C)OC(=O)N1CC(F)(F)C12CNC2.Cl	P17396
O=C(O)[C@@H]1CC2(CC2)C(=O)N1	P17404
CC1(C)CC(C=O)CC(C)(C)O1	P17406
CN(C(=O)OC(C)(C)C)[C@H]1CNCC[C@@H]1F	P17407
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](N)C1	P17419
C[C@@H]1[C@@H](N)CCCN1C(=O)OCC1=CC=CC=C1	P17425
CC(C)(C)OC(=O)N1C[C@@H](N)CC(F)(F)C1	P17430
O=C(CC12CC(Br)(C1)C2)C1=CC=CC=C1	P17450
C[C@H](C(=O)O)C12CC(C1)C2	P17451
CN1C[C@@H]2CCNC[C@@H]21.Cl.Cl	60097
CCC1=C[C@@H]2CN3CCC4=C(NC5=C4C=CC=C5)[C@@](C(=O)OC)(C2)[C@@H]13	41809
NC(=O)C1=C(F)C=CC(CC2=NNC(=O)C3=C2C=CC=C3)=C1	R10027
NC1=C2C=CC(C(F)(F)F)=NC2=CC=C1	K10193
C=C1C2CC(=O)O[C@H]3C[C@@H]4C(C)=CC(=O)[C@H](O)[C@@]4(C)[C@@H]4[C@](O)(OC[C@]234)[C@H]1O	41826
CCOC(=O)[C@@H]1CC[C@@H](NOCC2=CC=CC=C2)CN1C(=O)OC(C)(C)C	95774
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCC1=CC=CC=C1	95775
COC1=CC2=C(C=C1)[C@@H](NC(=O)OC(C)(C)C)CO2	95728
CC1=NN=C(C2=NN=C(N3CCC(OC4=C(Cl)C=CC(F)=C4)CC3)C=C2)O1	A10596
CN1C=C(B2OC(C)(C)C(C)(C)O2)C(C=O)=N1	A10758
NC(=O)CNCC(=O)O	A10558
CO[C@@]1(C2=NCCN2)COC2=C(C=CC=C2)O1.Cl	A10559
CCC1=C2C(=CN=C1C(=O)OC)NC1=C2C=C(OC)C(OC)=C1	A10693
O=C1NC2=C(C=CN=C2)N1CC(F)(F)F	A10606
CCCC1=CC=CC(C(=O)O)=C1	A10610
O=C1COCC2=C1C=CC=N2	A10613
NS(=O)(=O)C1=CN=C(Cl)N=C1	A10675
CC1(C)OB(C2=CC3=C(C=C2)C(N)=NN3)OC1(C)C	A10747
COC1=C(OC)C=C2CNCC2=C1	A10619
O=CC1=NN=C(C(F)(F)F)C=C1	A10629
CN1C(=O)NC2=C1C(=O)NC(=O)N2	A10731
ClC1=CC(Br)=CC2=CC=CC=C12	A10654
O=C(NC1=CC=CC=C1)NC1CC(C(=O)O)NC2=CC(Cl)=CC(Cl)=C21	A10678
CC1=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1	A10684
O=C(O)CCCCCCCCCCCOC1=CC=C([N+](=O)[O-])C=C1	A10697
COC(=O)C1=CN=C2C=C(Br)C=NC2=C1	A10698
O=C(O)C1=C(C2=CC=C(F)C=C2)C=CC(Cl)=N1	A10699
COC1=C(Cl)C=C2C(=O)CCC2=C1	A10710
CC(=O)NC1=NC2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)S1	A10717
CC(C)NCC(O)COC1=C2OC(C(C)O)=CC2=CC=C1	A10728
CN1CCNC2=C1N=C(Cl)N=C2	A10739
CC(=O)CCCCCCCC(=O)O	A10849
CCN(CC)CCOC(=O)C1=C(O)C(C2=CC=CC=C2)=CC=C1	A10876
CC(C)(C)NS(=O)(=O)C1=CN=CC(B(O)O)=C1	A10785
O=S(=O)(NCCOC1=CC2=CC=CC=C2C=C1)C1=CC=C(NO)C=C1	A10788
CCCCC1=CC=C(C2=CC=C(C#CC3=C(F)C=C(CCCC)C=C3F)C=C2)C=C1	A10791
COC(=O)C1=CC=C(N(C)C2=C(O)C=CC(O)=C2)C=C1	A10800
C1=CC2=C(C=C1)O[C@@H](CN1CCCCC1)CO2	A10806
COC1=CC(=O)C(C)=CC1=O	A10831
O=C(NC1=CC=C2C(O)=CC(S(=O)(=O)O)=CC2=C1)C1=CC=CC=C1	A10921
CCCCOC1=CC=C(C(=O)OCCN(CC)CC)C=C1.Cl	A10858
CC1=CC2=C(C=C1)C(C1=CC=CC=C1)=NC(=O)N2C(C)C	A10892
CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1	A10900
C[C@@H](CC1=CC=CC(C(F)(F)F)=C1)NCC(=O)O	A10902
CC(=O)CCCCCCCCC(=O)O	A10929
C1=CC=C(C2=NC3=CC=CC=C3C(CCC3CCNCC3)=C2)C=C1	A10940
O=C1CCCCC(=O)OCCOCCO1	A10991
C1=CC=C(C(CCN2CCCCC2)C2=CC=CC=C2)C=C1	A11073
CCCCCCCCC1=CC(O)=C(O)C=C1	A10995
COC1=CC=CC(N(C)C(=S)OC2=CC(C(C)(C)C)=CC=C2)=N1	A11024
CCN(CC)C1=CC2=C(C=C1)C1(C3=C(C=C(N(CC)CC)C=C3)O2)C2=C(C=CC=C2)C(=O)N1C1=CC=CC=C1	A11036
O=[N+]([O-])C1=C(SC2=C([N+](=O)[O-])C=CC=C2)C=CC=C1	A11140
OCCOC1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C3=NC=CC=C3)=C2)C=C1	A11141
C[C@@](O)(CO)CCO	A11223
C[Si](C)(C)CCCCCC(=O)O	A11084
COC1=C(O)C=CC(C(=O)C(=O)C2=CC(OC)=C(O)C=C2)=C1	A11091
CC1=CC(O)=C(Cl)C=C1O	A11096
O=C(O)C1=C(O)C=CC=C1CCC1=CC=C(O)C=C1	A11126
NC1=C2C=C(Cl)C=CC2=NN=C1C(=O)O	A11145
C=CCCCCCCCCCCCCC(=O)O	A11158
O=C1C=COC(=O)C1	A11284
CC(C)(C)OC(=O)NCCNCCN	A11236
CCCCC1=CN=C(C2=CC=CC=C2)C=C1	A11238
N=C(N)NNCCOC1=C(Cl)C=CC=C1Cl	A11390
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC=O)C2	A11432
C[C@@H](CC(=O)NC1=C(Cl)C=C(Cl)C=C1)N1CCCCC1	A11468
O=C1CCCCCCCCCCN1	A11321
CC(C)CC(C)(C#N)C(C)(C#N)CC(C)C	A11331
CNC1=NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C=C1	A11334
O=C1CSC(=O)N1[C@@H](CCC1=CC=NC=C1)COC1=CC=C(C2=CC([N+](=O)[O-])=CC=C2)C=C1	A11273
C=C(C)C(=O)OCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]	A11275
O=C1C=C(C2=CNC3=C2C=C(F)C=C3)C(=O)N1	A11277
CC1=CC2=C(C=C1)NC(=O)OC21CCN(CCC2=C(C)OC(C3=CC=CC=C3)=N2)CC1	A11280
CC1=NN(C2=CC=CC=C2)C(=O)C1=O	A11282
CC1=CC(O)=C(C)C(O)=C1C(=O)OCC1=CC=CC=C1	A11399
NCCCC[C@H](NC(=O)[C@H](CC1C=NC=N1)NC(=O)CN)C(=O)O	A11402
CC1=C2N=CN=C2N=C(N)N1	A11358
CC[C@H](C)N(C)C(=O)C1=CC2=CC=CC=C2C(C2=C(F)C=CC([N+](=O)[O-])=C2)=N1	A11423
CCCCC1=NC(Cl)=C(C=O)N1CC1=CC(C2=NN=NN2)=C(C2=CC=CC=C2)C=C1	A11429
CN1C=C(C2=C(C3=CN(C)C4=C3C=CC([N+](=O)[O-])=C4)C(=O)NC2=O)C2=C1C=CC=C2	A11435
CCC1=C(C(=O)O)C(=O)C=NN1C1=CC=C(Cl)C=C1	A11438
C[C@@]12CC[C@@H](O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C=CC[C@H]12	A11373
O=C(O)C1CCC(C2=CN=CC=C2)N1	A11381
CC(=O)O.CC(=O)O.NCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC1=CC=CC=C1	D92813
O=S(=O)(C1=CC=C(NO)C=C1)N(CCOC1=CC2=CC=CC=C2C=C1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	A11492
Cl.N#CC(CCCN1CCC(O)(C2=CC=C(Cl)C=C2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1	A11494
CC1=NOC([N-]S(=O)(=O)C2=C(C(=O)CC3=C(C)C=C4OCOC4=C3)SC=C2)=C1Cl.[Na+]	A11500
NC1=C2C(Br)=CN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2=NC=N1	A11501
O=C1OCCCCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C2=CC=C(C=C2)C(=O)OCCCCOC(=O)C2=CC=C1C=C2	A11587
CC1=[N+](CCC[N+](C)(C)C)C=CC2=CC=CC=C21.[Br-].[Br-]	A11589
O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C=CC(CCCNCCCO)=C1	A11535
FC1=CC=C(CSSSCC2=CC=C(F)C=C2)C=C1	A11736
CSC1=CC=C(C2=CC(C=O)=C(O)C=C2)C=C1	A11738
CC1(C)CC(=O)C[C@@](C)(C(=O)O)C1	A11740
N[C@@H](C(=O)O)C1=NN=NN1	A11450
CN1C(=O)CN=C(C2=CC=C(Cl)C=C2)C2=C1C=CC(Cl)=C2	A11461
N=C(NCC1=CC=C(Cl)C=C1)SCCCC1=CN=CN1	A11462
C[C@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@H](O)C1=CC=C(O)C=C1.O=C(O)/C=C\C(=O)O	A11481
CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C.Cl	A11483
COC1=CC=CC([C@H](C)NCCCC2=C(Cl)C=CC=C2)=C1.Cl	A11487
N[C@H](C(=O)O)C12CC(C(=O)O)(C1)C2	A11489
O=C(O)C1=C(C2=C(C(=O)O)C=CC3=CC=CC=C32)C2=CC=CC=C2C=C1	A11490
CN1CCN(CCCN2C3=C(C=CC=C3)SC3=C2C=C(S(=O)(=O)N(C)C)C=C3)CC1	A11527
CCOP(=O)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2	A11528
C[C@H](NC(C1=C2NC(=O)C(=O)NC2=CC=C1)P(=O)([O-])[O-])C1=CC=C(Br)C=C1.O.[Na+].[Na+]	A11548
N#CC1=C(OC[C@@H](O)CNCCNC(=O)NC2=CC=CC=C2)C=CC=C1	A11561
COC(=O)[C@@](C)(CCC(C)=O)C(C)C	A11692
CCCCCCCCOC(=O)C(=O)OCC(C)C	A11693
CC1=CC(N2CCCCC2)=NC2=CC=C(CC3=CC4=C(C)C=C(N5CCCCC5)N=C4C=C3)C=C12.Cl.Cl.Cl	A11565
C[C@H](O)C1=C(Cl)C=CC2=CC=CC=C21	A11566
CC(C)NC[C@H](O)C1=CC=C([N+](=O)[O-])C=C1.Cl	A11571
CN(C)C[C@@H](CN1C2=C(C=CC=C2)SC2=C1C=CC=C2)N(C)C.Cl.Cl	A11572
CC(C)(C)N(CC(=O)C1=CC(CO)=C(O)C=C1)CC1=CC=CC=C1.Cl	A11590
CC1=C(NC(=O)C2=CC3=CC=CC=C3C(/N=N/C3=C([N+](=O)[O-])C=C(Cl)C=C3)=C2O)C=CC=C1	A11592
CC1=CC=NC(NC2=NC(C3=CNN=C3)=C(C)S2)=N1	A11684
C1COC2(C1)CNC2.O=C(O)C(=O)O	A11655
CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N1C	A11657
CCN(CC)C(=S)N(CC)CC	A11689
CN1C(=O)C2=C(N=C(CNC3=CC=C(C(=O)O)C=C3)N2)N(C)C1=O	A11599
C#CCOC(=O)[C@H](C)OC1=CC=C(OC2=C(Cl)C=C(Cl)C=N2)C=C1	A11601
CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)C1=CC=C(N3CCN(C)CC3)C=C1)=NN2)C1=CC=CC=C1	A11611
CC(C)(C)OC(=O)N[C@H](CO)CCCCN	A11619
CC(C)NCC(O)COC1=CC=C(C(O)COCC2CC2)C=C1	A11621
CCCC(=O)C1=C(OC[C@@H](O)CNC(C)(C)C)C=CC(F)=C1.O=C(O)/C=C\C(=O)O	A11623
C[C@@H](C(=O)O)N1CCCC1=O	A11629
CC(C)(C)OC(=O)NC1CN([C@H]2CCCNC2)C1	A11631
CC1=CN2C[C@@H](C(=O)O)CCC2=N1	A11759
CN1C(=O)C=NN(CCCCN2CCN(C3=NC=CC=N3)CC2)C1=O	A11764
O=C1/C(=C/C2=CC(Br)=C(O)C(Br)=C2)COC/C1=C\C1=CC(Br)=C(O)C(Br)=C1	A11660
Cl.Cl.OC1=CC2=C(C=C1)N=C(CN1CCC(CC3=C(F)C=CC=C3)CC1)N2	A11668
COC1=C(S(=O)(=O)Cl)C=CC(Cl)=N1	A11672
O.O.O=S(=O)([O-])C1=CC2=CC(S(=O)(=O)[O-])=CC(O)=C2C(O)=C1.[Na+].[Na+]	A11674
COC1=CC2=NNC(Cl)=C2C=C1N	A11675
FC1=NN([C@@H]2CCCCO2)C2=C1C=C(C#CC1CCC1)C=C2	A11698
CN1CCC2=CC(O)=C(O)C=C2C1.Cl	A11795
CCC1=C(N)C=CC2=C1C=CN2	A11706
CC1=NC(C#N)=CC(Cl)=N1	A11711
N#CC1=NC(Cl)=CC(Cl)=N1	A11718
NC1=C(Cl)C2=C(C=C1)NC=C2	A11723
CC(C)CCCCCCC1=CC=C(O)C=C1	A11724
CCCCC[C@@H](O)CC[C@@H]1[C@@H](O)C[C@H]2CC3=C(OCC(=O)O)C=CC=C3C[C@@H]12	41585
O=C(O)CCCCCCCCC1=CC=CC=C1	S10903
COC1=NC(N2C=CC=N2)=NC(C)=C1	A11750
CCOC1=NN(CC2=CC=C(OCC3=CSC(C4=CC=CC=C4)=N3)C=C2)C=C1CCC(=O)O	A11783
CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)C2=C(C=CC=C2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)C2=C(C=CC=C2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)C2=C(C=CC=C2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)C2=C(C=CC=C2)C1=O.CCOC(C)=O.CCOC(C)=O.[Rh+2][Rh+2]	A11787
CC[C@@H](C)[C@@H](NC(=O)[C@@H]([C@H](C)CC)N(C)C(C)=O)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1)[C@H](C)O	41576
NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@H](OP(=O)(O)O)[C@@H]2O)C=C1	S10910
COCCNC1=CC(NC(=O)N2CCCC3=CC(CN4CCN(C)CC4=O)=C(C=O)N=C32)=NC=C1C#N	43711
C1CCC2(COC2)NC1	S11037
Cl.N[C@@H]1C=C[C@H](C(=O)O)C1	S11070
CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C(=O)O	S11122
CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C(=O)O	S11133
O[C@H](C1=NC=C(Br)C=C1)C(F)(F)F	S11165
O=C1CC2=NC=C(F)C=C2N1	S11339
COC1=C(C(N)=O)C=C2C(=C1)N=CC=C2OC1=CC(Cl)=C(N)C=C1	S11416
CN1C=NC(Cl)=C1[N+](=O)[O-]	S11447
CC1(C)C[C@H](N)C2=C(C=CC(Br)=C2)O1	S11531
CC1(C)OB(C2=CN=C(CC(F)(F)F)C=C2)OC1(C)C	S11481
CC1(C)OB(C2=CC(S(N)(=O)=O)=CN=C2)OC1(C)C	S11482
COC1=CC(C#N)=C(S(C)(=O)=O)C=C1	S11514
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC2N	S11606
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(O)C2F	S11550
O=C(NN1CCN(CC2=CC=CC=C2)CC1)C(F)(F)F	S11714
CC(C)(C)OC(=O)N1CCC(C2=NNC3=C2C=C(Cl)C=C3)CC1	S11791
O=C(O)CCCCCCCCCCCC1=CC=CC=C1	S12076
COC1=C(O)C=CC(C2=C(O[C@H]3O[C@@H](CO[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)C(=O)C3=C(C=C(O)C=C3O)O2)=C1	41658
CO[C@H]1CN(C(=O)OCC2=CC=CC=C2)CC[C@@H]1N.Cl	P17471
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC(OC(F)(F)F)=C1)C(=O)O	Y11066
OC1=C(O)C=C(C2=CC=CC=C2)C=C1	Y10998
Cl.N[C@H]1CCC2=C(F)C=CC(F)=C21	Y11020
CC(C)(C)OC(=O)N1[C@H](C2=CC=C(OCC3=C(F)C=CC=C3)C=C2)CC[C@@H]1C(=O)O	Y11023
COC(=O)[C@@H]1CN(CC2=CC=CC=C2)CCN1	Y10996
Cl.N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1	Y11001
COC(=O)/C=C/C1=CN=C(N)C=C1	Y11004
O=CC1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C3=NC=CC=C3)=C2)C=C1	Y11008
Cl.N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O	Y11045
C[C@](N)(CC1=CC=C(Br)C=C1)C(=O)O.Cl	Y11046
CN1CCN[C@@H](CC2=CC=CC=C2)C1	Y11051
CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC2=CC=CC=C2)C1.Cl	Y11053
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(O)C=CC=C1	Y11033
COC1=C([C@@H]2CCCN2)C=CC=C1	Y11035
COC1=C([C@@H]2CCCN2)C=CC=C1.Cl	Y11036
BrC1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y11037
COC1=C([C@@H]2CCCN2)C=C(F)C=C1.Cl	Y11038
Cl.Cl.FC1=CC(F)=C([C@@H]2CCCN2)N=C1	Y11080
COC1=C([C@@H]2CCCN2)C=CC=C1.Cl	Y11069
CC1=CC=CC([C@@H](C)C(=O)O)=C1	Y11075
CC(C)(C)OC(=O)N[C@@H](CC1=C(N)C=C(F)C=C1)C(=O)O	Y11077
CC1=CC2=C(C=C1)[C@@H](N)CCC2.Cl	Y11140
CC(=O)C1=NN=C(O)C=C1	Y11094
Cl.NC1=CC=CC2=C1CCO2	Y11109
Cl.N[C@@H](CC(=O)O)C1=CC(F)=C(O)C=C1	Y11123
CC(C)(C)C1=CN=CC(N)=C1.Cl	Y11135
C=CC(=O)O[C@@H]1C(=O)OCC1(C)C	F53060
CC1(C)C[C@@H](C2=CC(N3CCCC3)=CC=C2)NC2=C(C(=O)O)C=C(F)C=C21	F53061
CCOC(=O)C1=NNC(C#N)=C1	Y11146
CC[C@H](N)CC(=O)OC.Cl	Y11154
COC1=CC(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C=C1CC=C(C)C	43367
CCCCCOC1=CC=C(C2=CC(C3=CC=C(C(=O)N[C@@H]4C[C@H](O)[C@H](O)NC(=O)[C@H]5[C@H](O)[C@H](C)CN5C(=O)[C@@H]([C@@H](O)CC(N)=O)NC(=O)[C@@H]([C@@H](O)[C@H](O)C5=CC(OS(=O)(=O)[O-])=C(O)C=C5)NC(=O)[C@H]5C[C@H](O)CN5C(=O)[C@@H]([C@H](C)O)NC4=O)C=C3)=NO2)C=C1.[Na+]	41734
CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCN3C=C(C4=CC(N)=CC=C4)N=N3)C(=O)O[C@]12C	41736
CN(C)CCC1=CC=CC(Br)=C1	F52728
CC(=O)N[C@@]1(C2(C)OCCO2)CCC2=C(C1)C(O)=C1C(=O)C3=C(C=CC=C3)C(=O)C1=C2O	F52832
O=C1CC[C@H](N2CC3=C(F)C=CC=C3C2=O)C(=O)N1	F52992
COC(=O)[C@H](CC1=CC=C(C2=C(C)C(C)=NC=C2)C=C1)NC(=O)OC(C)(C)C	F53059
NC1=CC=C(S(=O)(=O)NC2CCC2)C=C1	F53065
COC(=O)C1=C2N[C@H](C3=CC=CC(Br)=C3)CC(C)(C)C2=CC(F)=C1	F53066
C[C@@H](CC1=CC=C(OCC2=C3OC(C)(C)CC3=CC(Cl)=C2)C=C1)C(=O)O	F53067
C=CC(=O)O[C@@H]1C(=O)OCC1(C)C	F53070
CSC1=NC2=C(C=C(F)C(I)=C2F)N1CC1=CC=C(C2=CC=CC=C2)C=C1	F53073
COC(=O)/C(=C/C1=CC2=C(C=C1)O[C@H](C1=CC=C(OCC3=CC(Cl)=C(Cl)C=C3)C=C1)CO2)NC(=O)OC(C)(C)C	F53020
CCOC(=O)[C@]1(C)NC(=O)C2=C1C=CC=C2	F53025
CC1=CC2=C(C3=C(F)C=CC=C3)N=C(Cl)N=C2S1	F53028
CC(C)(C)OC(=O)N1CCC2=C(SC(N)=N2)C1=O	F53034
COC(=O)[C@@H](N)CC1=CC=C(C2=CC=C(C#N)C=C2)C=C1	F53046
O=CC1=CC2=C(C=C1)O[C@H](C1=CC=C(OCC3=CC(Cl)=C(Cl)C=C3)C=C1)CO2	F53053
COC(=O)C1=CC(C2=CC=C(N3CCOCC3)C=C2)=C(Cl)C=C1N	F53056
COC1=C(OC)N=C([C@@H](N)C(=O)O)C=C1	58523
COC1=C(N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC2=NC3=C(C=C(C)C=C3)S2)C=CC=C1	41739
CC1=C(C(=O)NC2=C(C3=CN4C(CN5CCOCC5)=CSC4=N3)C=CC=C2)SC(C2=CN=CC=C2)=N1	41745
O=C1C=CC2=C(C=C3OC=CC3=C2O)O1	41921
COC(=O)C1=NN(C2=C(Cl)C=CC=C2)C(C2=NN=C(C3=CC(S(C)(=O)=O)=CC=C3)S2)=C1	41747
CN1C=C(C2=C3N=C([C@H]4CCCNC4)C(Br)=C(N)N3N=C2)C=N1	41753
C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C	41754
CC(=O)O[C@@H]1[C@H]2[C@@H]([C@@H](C)C=C3OC(=O)[C@](C)(O)[C@]32C)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H]([C@H](O)C(=O)[C@@H]4C[C@H]5O[C@H]5[C@@H](OC(C)=O)[C@]43C)[C@@H]12	41949
COC1=C(O)C=C2C[C@@H](C)[C@@H](C)CC3=C(C(OC)=C(OC)C(O)=C3)C2=C1OC	41951
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)[C@H]2N	E71113
COC1=CC=C(/C=C/C2=CC(OC)=CC(=O)O2)C=C1	41997
	42470
C=C[C@@H]1[C@@H](OC[C@@H]2O[C@H](OC(=O)C3=CC(O)=C(C4=CC(O)=CC=C4)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@H]21	42489
CC(=O)OC1CC(=O)OC(C)(C)[C@H]2CC(=O)[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H](C5=COC=C5)OC(=O)[C@@H]5O[C@]534)[C@]12C	42498
C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@@H]21	42720
C/C(=C\CC[C@]1(CO)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4CC[C@]32C)[C@H]1O)CO	43412
OC1=CC2=C(C[C@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O)=C1	42657
COC1=CC2=C(C=C1O)C[C@@H]1NCCC3=CC(OC)=C(O)C2=C31	42710
COC1=CC(=O)OC(/C=C/C2=CC=CC=C2)=C1	42716
O=C(O)C1=C2C=CC(C(F)(F)F)=NC2=CC=C1	K10194
COC1=CN=C2C=C(C(=O)O)C=CC2=C1	K10195
COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C3=C(C=C1C[C@H](C)[C@](C)(O)[C@H]2OC(=O)C1=CC=CC=C1)OCO3	42853
COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C(OC)=C(O)C=C1C[C@H](C)[C@](C)(O)[C@H]2OC(=O)C1=CC=CC=C1	42855
CC1(C)O[C@H]1COC1=C2C=COC2=CC2=C1C=CC(=O)O2	42990
OC1=CC2=C(C(O)=C1)[C@H](C1=C3O[C@H](C4=CC(O)=C(O)C=C4)[C@H](O)CC3=C(O)C=C1O)[C@@H](O)[C@@H](C1=CC(O)=C(O)C=C1)O2	42948
CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O	43161
O=C1NCC2=C1C=CC(I)=C2	F17861
NC1=CC=C(F)C(Cl)=C1C(=O)O	F17501
COC(=O)C1=CC2=C(C=N1)C(Br)=NN2	F17574
C#CCCC1=CN2C=CC=CC2=N1.Cl	F17913
CC(C)(C)OC(=O)NC1(C(=O)O)CCN(C2=NC=NC3=C2C=CN3)CC1	F17768
NC1=C2NC=NC2=NC=C1	F18031
O=C1NCC2=C1C=CC(CO)=C2	F17814
C[Si](C)(C)CCOCN1C(=O)C(Br)(Br)C2=C1N=CC=C2	F17905
COC1=CC(Br)=C2CNC(=O)C2=C1	F17973
COC1=C(O)C2=C(C=C1)NC=C2	F18136
CCOC1=NOC2=C1C=CC(OCCC1CCN(C3=NN=C(C)C=C3)CC1)=C2	F18154
Cl.NC1=CC=CC(CC(=O)O)=N1	F18201
CC(C)(C)OC(=O)N1CCCN1C(=O)OCC1=CC=CC=C1	F18081
COC(=O)C1=C2C=C(C3=CC=CC=C3)NC2=CC=C1	F18200
N[C@H]1CCCC[C@H]1CO	F18294
O=S(=O)(Cl)C1=CC2=C(C=C1)SC=N2	F18281
N#CC1=CCCC2=C1C=CC(Br)=C2	F18429
CC(C)(C)OC(=O)N1C(=O)C2CCC1C2	F18359
ClC1=NC=CN2C=NC(Br)=C12	F18472
CC1=C(Br)C=CC2=C1NN=C2	F18482
CC(C)CNC1=C(C(=O)NCC2=CC=CC=C2)C=NC(N2CCN(C[C@H]3CCCOC3)CC2)=N1	F18483
CC1=CN=C2C=CC=C(C=O)N12	F18496
ClC1=CC(I)=CC2=NC=CN12	F18524
NC1=NC2=C(C=CC(C3=CC=CC=C3)=C2)S1	F18590
COC1=C2C=NN(C(=O)OC(C)(C)C)C2=CC(Br)=C1	F18609
CC1=C(N)C2=CC=CC=C2C=C1C(=O)O	F18699
COC(=O)C1=CC2=C(C=C1)OC[C@H](C)N2	F18715
C[C@H]1COC[C@H](C)N1.Cl	F18925
CC1CNCC(C#N)O1	F18933
O=C1NC=CC2=CC(Br)=NC=C12	F19071
COC1=C(C(=O)O)C(C=O)=CC=C1	AB15372
CC(/C=C/C(=O)NO)=C\[C@H](C)C(=O)C1=CC=C(N(C)C)C=C1	43193
CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC(O)=C(C(=O)O)C=C2)C=C1	43195
O=C1C=C(N2CCOCC2)OC2=C(C3=C4SC5=C(C=CC=C5)C4=CC=C3)C=CC=C12	43198
NC1=C(Br)C=CC2=C1C=NN2	E71259
COCCNCCC1=CC=CC(NC2=NC3=C(C=N2)C[C@H](C2=C(F)C=CC=C2)C2=C3C=CC=C2)=C1	43712
C[C@H]1C2=C(CCN1C(=O)C1=C(Cl)C(C(F)(F)F)=CC=C1)N(C1=NC=C(F)C=N1)N=N2	43177
CC1(C)CCNC2=CC=CN=C21	95781
COC(=O)C1=CC=C(C2(C(=O)O)CC2)C=C1	95842
COC(=O)C1(C2=NC=C(C#N)C=C2)CC1	95852
N#CC1=CN=C(C2(C(=O)O)CC2)C=C1	95853
CC(C)(C)OC(=O)N1CC2CC2([B-](F)(F)F)C1.[K+]	95885
CC(C)(C)OC(=O)N1CCC2CC2(B2OC(C)(C)C(C)(C)O2)C1	95889
CC(C)(C)OC(=O)N1CC2CC2(B2OC(C)(C)C(C)(C)O2)C1	95890
FC(F)(F)OC1=NC=CC(Br)=C1	95901
C[C@H](N)C1=NC=C(Cl)C=C1	96125
CO[C@H](C(=O)O)C(C)C	96142
CN1C=CC2=CC(Br)=NC=C21	96212
NC1=C(C(=O)O)C=CC(Br)=C1Cl	96226
CC1=C(Br)N=C(C(=O)O)N1	96268
NC1=CC=C2C=NN=CC2=C1	96287
FC1=C(Br)C=C2C=NC(Br)=CC2=C1	96333
CCOC(=O)C1=CC2=C(CCNC2)O1.Cl	96382
CC1=CN2N=CC(Br)=C2N=C1	96386
CC(C)(C)OC(=O)N1CCN(CC2=CC=CC=C2)C[C@@H]1CCO	96406
O=C(O)[C@H]1C[C@@H]1C1=CC(F)=C(F)C=C1	96612
O[C@H](CCl)CC1=CC=C(C2=CC=CC=C2)C=C1	96873
OCC1(Cl)CC1	96433
CCC1=C(C(=O)NCC2=CC=C(N3CCC(C4=CC=C(OC(F)(F)F)C=C4)CC3)C=C2)N2C=C(Cl)C=CC2=N1	43183
CC1=CC(OC2=CN=CN=C2)=CC(C(=O)NC2=NC=C(F)C=C2)=N1	43184
O=C(O)C1=C2N=CC(Cl)=CN2N=C1	96514
ClC1=NC=C2C=CC=C(Br)C2=C1	96521
CC(C)(O)C1=NC2=C(N3CCOCC3)N=C(Cl)N=C2N1	96729
COC1=NC=NC(C2CC2)=C1B(O)O	96955
C[C@H](N)C#N.Cl	96735
COC(=O)[C@H]1CCC[C@H]1C(=O)O	96737
CN1C=C(C(=O)O)C2=C(NC=C2)C1=O	96748
COC(=O)C1=CNC(=O)C2=C1C=C(C)N2	96751
CC1=CNC2=C1C=C([C@H](C)N)C=C2	96758
CC1=CC2=C(C=CC(CN)=C2F)N1	96773
CN1N=C(C2=C(C3=CC=C(C(F)(F)F)C=C3)N(C)N=C2)C2=C(N3CCC3)N=CN=C21	43187
CC(C)(O)CN1N=C(C(=O)O)C2=C1C=CC(Br)=C2	96910
CN1C(=O)C=C(Cl)N(CC2=C(C#N)C=CC(F)=C2)C1=O	96989
OCC1=CC=CC(Br)=C1CO	97055
O=C(O)C1=C2B(O)OCCC2=CC=C1	97062
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
FC(F)(F)C1=NN=C(CBr)C=C1	97330
CC1=NN=C(C=O)C=C1	97332
FC1=C2N=CSC2=CC(Br)=C1	97343
CCNC(=O)C#CC1=CC2=C(C=C1)/C(=C(/NC1=CC=C(CN(C)C)C=C1)C1=CC=CC=C1)C(=O)N2	43713
CC1=NNC2=NC=C(C(=O)N3CCC[C@H]3C3=CC=C(Cl)C=C3)C=C12	43715
NC1=NC2=C(C=CC(C3=C(OC4=C(F)C=C(S(=O)(=O)NC5=NC=NS5)C(F)=C4)C=CC(Cl)=C3)=C2)N1	43284
FC(F)(F)C1=CC(C2CNC2)=CC=C1.O=C(O)C(F)(F)F	60109
CC(C)CC1=CC=C([C@@H](C)C(N)=O)C=C1	F19290
COC1=C([C@H](CN2C(=O)N(C(C)(C)C(N)=O)C(=O)C3=C2SC(C2=NC=CO2)=C3C)OC2CCOCC2)C=CC=C1	43273
COC1=CC=C(N2N=C(C(N)=O)C3=C2C(=O)N(C2=CC=C(N4C[C@@H](C)CCC4=O)C=C2)CC3)C=C1	F19386
CC(C)CC1=CC=C([C@@H](C)CO)C=C1	F19318
CCCC(C)OC(=O)NC1=NC(=O)N([C@H]2O[C@@H](CF)[C@H](O)[C@@H]2O)C=C1	F19234
CCOC1=NC2=CC=CC(C(=O)O)=C2N1CC1=CC=C(C2=C(C#N)C=CC=C2)C=C1	F19284
O=C(NC1=C(Cl)C=NC=C1Cl)C1=CC(OCC2CC2)=C(O)C=C1	F19304
C[C@@H](C[C@@H](CC1=CC=C(C2=CC=CC=C2)C=C1)NC(=O)OC(C)(C)C)C(=O)O	F19524
C[C@]1(F)[C@@H](O)[C@H](CO)O[C@H]1N1C=CC(=O)NC1=O	F19343
C#CC1=CC=CC(NC2=C3C=C(OCCCl)C(OCCOC)=CC3=NC=N2)=C1.Cl	F19358
O=C(O)C1=CN(C2CC2)C2=C(F)C(N3C[C@H]4CCCN[C@H]4C3)=C(F)C=C2C1=O	F19417
CCOC1=NC2=CC=CC(C(=O)OC)=C2N1CC1=CC=C(C2=C(C(N)=O)C=CC=C2)C=C1	F19423
O=C(NC[C@H]1CN(C2=CC=C(N3CCOCC3=O)C=C2)C(=O)O1)C1=C(C(=O)NC[C@H]2CN(C3=CC=C(N4CCOCC4=O)C=C3)C(=O)O2)C=CC=C1	F19453
O=C(NC[C@H]1CN(C2=CC=C(N3CCOCC3=O)C=C2)C(=O)O1)NC[C@H]1CN(C2=CC=C(N3CCOCC3=O)C=C2)C(=O)O1	F19454
C[C@H]1COC2=C3C(=CC(F)=C2N2CCN(C)CC2)C(=O)C(C(=O)O)=CN31	F19527
NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1	F19570
C[C@H]1COC2=C3C(=CC(F)=C2N2CCNCC2)C(=O)C(C(=O)O)=CN31	F19493
OC1=CC=NC(CCl)=N1	F19650
O=CC1=NC=CC(Cl)=N1	F19651
BrC1=CSC2=C1SC=C2	F19735
C1=CC2=CSC=C2S1	F19736
Cl.N[C@H]1CCCC(=O)NC1	F19780
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC2=C(C=C1)OCCO2	F53213
CN(C)CC(F)(F)C(=O)O	F53141
O=C(NC1=CC(C(F)(F)F)=C(F)C=C1)NC1=NN=C(C2=CC=NC=C2)S1	F53109
CN1CCN(C2=C(NC(=O)C3=CNC(=O)C=C3C(F)(F)F)C=C(C3=CC(CN4CCOCC4)=CC=C3)C=C2)CC1	43282
CC1=C(Br)SC2=C1C(=O)N(C(C)(C)C(=O)OC(C)(C)C)C(=O)N2	F53224
CC(C)(C)OC(=O)N1CCOCC12CCNCC2	F53228
CC[C@H](OC1=CC(CN(CCCOC2=CC=C(OC)C=C2)C2=NC3=C(C=CC=C3)O2)=CC=C1)C(=O)O	43291
N#CC1=CC=C(CN2C=NC=C2CN2CCN(C3=CC=CC(Cl)=C3)C(=O)C2)C=C1	43292
C[C@H](NC(=O)C(=O)NC1=C(C(C)(C)C)C=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(F)C(F)=CC(F)=C1F	43293
OB(O)C1=C(F)C=C(OC2=CC=CC=C2)C=C1	N11810
COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCNC2)C1C1=CC=CC([N+](=O)[O-])=C1.Cl	12832
COC1=C(Br)C=CC2=NC=CC=C21	K10153
O=C(O)C1=CC(C(F)(F)F)=CC2=NC=CC=C12	K10159
CC(=O)NC1=CC2=C(CNCC2)S1.Cl	97406
FC(F)(F)C1=CC2=CC=NC=C2C=C1	K10135
FC(F)(F)C1=CC(Br)=CC2=NC=CC=C12	K10138
OC1=CC2=CC=CN=C2C(C(F)(F)F)=C1	K10142
NC1=C(O)C2=CC=CN=C2C=C1	K10144
FC(F)(F)C1=CC=C2C=NC=C(Br)C2=C1	K10147
O=C(O)C1=CN=C2C=CC=C(C(F)(F)F)C2=C1	K10164
C[C@H](OC1=C(C(N)=O)SC(N2C=NC3=C2C=C(CN2CCN(C)CC2)C=C3)=C1)C1=C(C(F)(F)F)C=CC=C1	43718
CC(C)NC(=O)N1CC[C@H](NC2=NC3=C(C=CC(F)=C3)N(CC(F)F)C3=C2C=C(Cl)C=C3)C1	97390
C[C@@H]1CC[C@@H](C(=O)O)N1.Cl	P17548
CC(C)(C)OC(=O)N1C[C@H]1C(=O)[O-].[Li+]	97392
COC(=O)C1=CC(OC)=C(CBr)C(OC)=C1	F20179
O[C@H]1CCC2(CNC2)C1	P17463
FC(F)(F)C1=NC=C2C=CC(Br)=CN21	P17465
CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2O)CC1	P17467
COC(=O)[C@@H]1COCC(=O)C1	P17472
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)O)C1	P17473
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)O)C1	P17474
C[C@H]1COCC[C@@H]1N.Cl	P17478
CC(C)(C)OC(=O)NC1C2CCCC1CNC2	P17483
C[C@@]1(F)[C@@H](N2C=CC(NC(=O)C3=CC=CC=C3)=NC2=O)O[C@@H](COC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1	P17485
NC1=CC(F)=CN=C1C(=O)O	P17500
CC(CO)C1CCO1	P17526
COCO[C@@H]1C(=O)N(C2=CC=C(OC)C=C2)[C@@H]1CCC1CC1	P17527
Cl.O=C1NC2=C(C=CC(Cl)=C2)[C@@]12CCNC2	P17535
C[C@H]1CNCC2=C1C=CC(Br)=C2.Cl	P17539
O=C(O)[C@H]1CNC[C@@H]1C(F)(F)F	P17541
N#CC(C#N)=CC1=C(Cl)/C(=C/[C-](C#N)C#N)CCC1.[K+]	F20289
O=C(O)[C@@H]1CC2(CCCCC2)C(=O)N1	P17555
C1NC[C@@H]2CSC[C@H]12.Cl	P17661
CS(=O)(=O)OCC1CCS(=O)(=O)CC1	P17565
O=C(NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CN=C(N2CC[C@H](O)C2)C(C2=NNC=C2)=C1	P17571
CC1(C)C[C@@H]1Br	P17575
CC1=CC2=C(N=C1)N(C)C(I)=C2	P17576
CC(C)(C)OC(=O)N1N=CC2=C(C(F)F)C=C(Br)C=C21	P17580
CC(C)(C)OC(=O)N1CCN([C@H]2CCCC[C@H]2N)CC1	P17588
CCN1C=CC(B2OC(C)(C)C(C)(C)O2)=N1	P17593
CSC1=CC=C(C2=CC=C(C)N2CCO)C=C1	P17594
Br.NCC1(CBr)CC1	P17597
C#CC1(C(C)C)CC1	P17599
CCOC(=O)C1CCC(OC(F)(F)F)CC1	P17609
CC(C)(O)[C@@H]1CCN1.Cl	P17617
CC1(C)OB(C2=CN(CC3CC(F)(F)C3)N=C2)OC1(C)C	P17622
C[Si](C)(C)CCOCN1C(B(O)O)=CC2=CC=CN=C21	P17628
CC1(C)OB(C2=C(F)C3=C(N=C2)NC=C3)OC1(C)C	P17631
CC(C)(C)OC(=O)N1CC2CCC1CC2N	P17635
CC1(C)C(=O)NC[C@@H]1N	P17639
O=C(O)C1=NC2=C(C=C1)C=NN2	P17641
CC1=C(O)C2=C(C=C1)NN=C2	P17648
CN1CCC2NCCC2C1.Cl.Cl	P17649
CN1CCC2CCNC2C1.Cl.Cl	P17651
NC1=NN2C(Br)=CC=CC2=C1	P17654
BrC1=CC2=C(C=C1)C[C@]1(CCN1)CC2	P17666
C[C@]1(Cl)[C@@H](O)[C@H](CO)O[C@@H]1N1C=CC(=O)NC1=O	P17760
CC(C)(C)OC(=O)N1CCC(Br)C(F)C1	P17764
COC(=O)CC12CC(NC(=O)OC(C)(C)C)(C1)C2	P17669
COC[C@]1(F)CCNC1	P17670
C[C@H]1CNC(=O)[C@H](C)N1	P17728
C[C@H]1CNC(=O)[C@H](C)N1	P17729
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](O)C1	P17734
N#C[C@@H]1CC2CCN1CC2	P17815
O[C@H](C1=C(Br)C=C(Cl)C=C1)C(F)(F)F	P17818
COC(=O)[C@@H]1COCC[C@@H]1N	P17693
C[C@H]1CC2(CCN1)CN(C(=O)OC(C)(C)C)C2	P17695
COC1=CC=C([C@@H]2CCCN2CC2=CC=C(C3=C([N+](=O)[O-])C=CC=C3)O2)C=C1	P17772
CC(C)[C@H]1CCNC1.Cl	P17773
C[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C	P17775
CC(C)(C)OC(=O)N1C[C@@]2(C[C@@H]1C(=O)O)CC2(F)F	P17778
CC1=C(CN)N=NC=C1.Cl	P17707
CCOC(=O)CC1CC2(C1)CN(C(=O)OC(C)(C)C)C2	P17715
C[C@H]1CC(O)C[C@H](C)N1C(=O)OC(C)(C)C	P17726
NCC1(F)CCCC1	P17736
CC(C)(C)OC(=O)N1CC2(C(=O)O)CCC1CC2	P17737
C=C1CC2CCC(C1)C2NC(=O)OC(C)(C)C	P17738
Cl.NCC12CCC(C(=O)O)(CC1)C2	P17740
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)N2	P17741
COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F.Cl	P17779
COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F.Cl	P17780
C[C@H]1CC[C@H](C)N1.Cl	P17787
O=C(O)C1=CC2=C(OC=C2)C(Cl)=N1	P17801
CC1=NC2=CC=CC=C2C=C1Br	P17804
COC1=CC(F)=C(Br)C=N1	P17805
NC1=NC=CC(OC(F)(F)F)=C1	P17808
O=C([O-])C1=CC(F)=CC(F)=N1.[Na+]	P17809
O=CC1=CC(Br)=CC2=CN=CN21	P17811
Cl.NCC12CCC(CC1)OC2	P17819
CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1	P17820
CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@@H](O)C1	P17821
NC1=CN(C(F)(F)F)N=C1	P17822
CC(C)(C)OC(=O)N1CC[C@@]2(CCNC2)C(F)(F)C1.Cl	P17824
CC(C)(C)OC(=O)N1CCC[C@@]2(CCC(=O)C2)C1	P17825
COC(=O)C1(C)CCCC(N)C1.Cl	P17833
CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](O)C1	P17838
CC(C)(C)OC(=O)N1CCC(C[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)CC1	P17843
CC(C)(C)OC(=O)N1CCC2(CCC(CO)C2)C1	W13966
CC(C)(C)OC(=O)N1CCOC[C@]2(CNCCCO2)C1	W13967
CC(C)(C)OC(=O)N1CCC2(CCC(O)CC2)C1	W13969
CC(C)(C)OC(=O)N1CC[C@]2(CCNC(=O)CC2)C1	W13970
CC(C)(C)OC(=O)N1CCC2(CCN(CC3=CC=CC=C3)C2)CC1	W13971
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1=CC=CC=C1)C[C@@H]2CN	W13972
CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)NCCN2C(=O)OCC1=CC=CC=C1	W13887
O=C1CCC[C@@]2(CCCN(C(=O)OCC3=CC=CC=C3)C2)N1	W13888
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OCC1=CC=CC=C1)C[C@@H]2C(=O)O	W13889
CC(C)(C)OC(=O)N1CCC2(CC1)CNCCN2C(=O)OCC1=CC=CC=C1	W13891
CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CN2C(=O)OCC2=CC=CC=C2)C1	W13893
CC(C)(C)OC(=O)N1CCCC2(CCCCNC2=O)CCC1	W13896
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2=CC=CC=C2)C[C@@]2(CCCC(=O)N2)C1	W13898
CC(C)(C)OC(=O)N1CC2(CO[C@@H](CN)C2)C1	W13906
CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2C(=O)O)C1	W13907
C1CCC2(CC1)CCN2.Cl	W13908
C1CCC2(CNC2)OC1.Cl	W13910
CC(C)(C)OC(=O)N1CCCC12CC2	W13913
C1CCC2(C1)CCCN2.Cl	W13914
FC1(F)COC2(CCNCC2)C1	W13918
Cl.FC1(F)COC2(CCNCC2)C1	W13919
CC(C)(C)OC(=O)N1CC[C@@]2(COCC(=O)N2)C1	W13920
CC(C)(C)OC(=O)N1CCC2(CCCCN2)CC1.O=C(O)C(=O)O	W13921
CC(C)(C)OC(=O)N1CCCC2(COC(CO)C2)C1	W13923
NC1=NCC2(CCN(CC3=CC=CC=C3)CC2)CN1	W13924
CC(C)(C)OC(=O)N1CCC2(CC1)CC(F)(F)CN2	W13925
O=C1CO[C@]2(CN1)COCCN(C(=O)OCC1=CC=CC=C1)C2	W13926
CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(F)(F)F)N2)CC1	W13927
CC(C)(C)OC(=O)N1CC2(CC[C@@H]2NC(=O)OCC2=CC=CC=C2)C1	W13929
CC(C)(C)OC(=O)N1CCCC[C@]2(CCCCNC2)C1	W13866
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CN)OC2)CC1.Cl	W13870
O=C(O)C1COC2(CCCN(C(=O)OCC3=CC=CC=C3)CC2)C1	W13871
CC(C)(C)OC(=O)N1CCOCC2(CCC(CI)O2)C1	W13960
CC(C)(C)OC(=O)N1CC2(C[C@H](CN)CO2)C1	W13961
CC(C)(C)OC(=O)N1CCC[C@]2(CNC(=O)CN2C(=O)OCC2=CC=CC=C2)C1	W13875
O=C1CCCCC2(CCN(C(=O)OCC3=CC=CC=C3)CC2)N1	W13879
CC(C)(C)OC(=O)N1CCCC[C@@]12CCCN(C(=O)OCC1=CC=CC=C1)C2	W13881
COC(=O)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1	W13882
Cl.NC1CCC2(CCC(=O)N2)CC1	W13884
CC(C)(C)OC(=O)N1CCC12CCNCC2.O=C(O)C(=O)O	W13900
CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)O)CO2)C1	W13905
CC(C)(C)OC(=O)N1CCO[C@@]2(CCCC2=O)C1	W13932
CC(C)(C)OC(=O)N1CCC2(CC1)CC(Br)=NO2	W13935
O=C(O)C(F)(F)F.O=S1(=O)CC2(CNC2)C1	W13937
CC(C)(C)OC(=O)N1CCOCC2(CC(CN)CO2)C1	W13938
CC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1	W14024
CC(C)(C)OC(=O)N1CCC[C@]2(CN(CC3=CC=CC=C3)CCO2)C1	W14026
CCOC(=O)C1C(=O)NCC12CCN(C(=O)OC(C)(C)C)C2	W14030
CCOC(=O)[C@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2	W14031
CCOC(=O)[C@H]1CSCC12CN(C(=O)OC(C)(C)C)C2	W14119
CC(C)(C)OC(=O)N1CC[C@@]2(COCCN2)C1	W13940
C1CO[C@]2(CCOC2)CN1.Cl	W13942
CC(C)(C)OC(=O)N1CCC2(CC(N)CO2)C1	W13943
CC(C)(C)OC(=O)N1CC2(CCN2)C1.Cl	W13949
CN1CCC2(CC1)C[C@H](CO)CO2	W13952
C1CCC2(C1)CCCNC2.Cl	W13953
CC(C)(C)OC(=O)N1CCNC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1	W13954
C1=CC=C(CN2CCN(CC3=CC=CC=C3)CC3(CCNC3)C2)C=C1	W13956
CC(=O)N1CCC2(CCNCC2)C1	W13959
CC(C)(C)OC(=O)N1CC2(C[C@H](C#N)CO2)C1	W13962
CC(C)(C)OC(=O)N1CC2(C[C@H](Br)CO2)C1	W13963
FC1CC2(CCNCC2)C1	W13964
CCOC(=O)[C@H]1CNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2	W13976
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)O	W13977
CC(C)(C)OC(=O)N1CC2(CCCCOC2)C1	W13978
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)CN2CC1=CC=CC=C1	W13979
CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2O)CC1	W13980
CC(C)(C)OC(=O)N1CC2(CCOC[C@@H]2N)C1	W13981
CC(C)(C)OC(=O)N1CC2(CC(=O)N[C@@H]2C(=O)O)C1	W13982
CC(C)(C)OC(=O)N1CCC2(CNC(=O)C2CO)C1	W14032
COC(=O)[C@H]1COCCC12CN(C(=O)OC(C)(C)C)C2	W14033
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=C2C=C(Br)C=C1	W14155
CC1=CC2=C(C=C1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1	W14156
CC1=CC=CC2=C1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O	W14160
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=CC=CC(Br)=C12	W14162
CC1=CC2=C(C=C1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]2N	W14163
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CC(=O)O)C1=C2C=C(F)C=C1	W14166
CCOC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2	W13983
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N[C@H]2CO	W13984
COC(=O)C1=CC2(CC1)CCN(C(=O)OC(C)(C)C)CC2	W13987
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CNC(=O)OCC3=CC=CC=C3)OC2)CC1	W13988
CC(C)(C)OC(=O)N1CC2(C1)SCC[C@@H]2C(=O)O	W13989
CC(C)(C)OC(=O)N1CC2(C1)SCC[C@@H]2CO	W13990
CC(C)(C)OC(=O)N1CC2(C1)[C@@H](CO)CCS2(=O)=O	W13991
CC(C)(C)OC(=O)NC1CC2(CCN(C(=O)OCC3=CC=CC=C3)CC2)C1	W13994
COC1=CC2=C(C=C1)CCNC21CCN(C(=O)OC(C)(C)C)CC1	W14180
CC(C)(C)OC(=O)N1CC[C@@]2(CC3=C(C=CC=C3)NC2=O)C1	W14181
CC(C)(C)OC(=O)N1CCC2(CC1)CC1=C(C=CC=C1)NC2=O	W14183
CC(C)(C)OC(=O)N1CCC2(CC1)CNC1=C(C=CC=C1)C2	W14184
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C(C=CC=C1)C2=O	W14185
O=C(O)[C@H]1C[C@]12C(=O)C1=C2C=CC=C1	W14186
BrC1=CC2=C(C=C1)NCC21CCCCC1	W14189
O=C(O)C1=CC2=C(C=C1)NCC21CCCCC1	W14190
CC(C)(C)OC(=O)N1CCC2(CC1)CCN1C(Br)=CN=C12	W14193
CC(C)(C)OC(=O)N1CCC2(CCC[C@H](CO)O2)CC1	W14000
CC(C)(C)OC(=O)N1CCC2(CC(=O)NC2CO)C1	W14001
CC(C)(C)OC(=O)N1CCOC[C@@]2(CNC(=O)C2)C1	W14003
CC(C)(C)OC(=O)N1[C@@H](CN)CCC12CCN(C(=O)OCC1=CC=CC=C1)CC2	W14004
CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)[C@H]2CO	W14005
CC(C)(C)OC(=O)N1CCC2(CCCC(=O)N2)CC1	W14006
CC(C)(C)OC(=O)N1CC[C@@]2(CCCC2=O)C1	W14009
CC(C)(C)OC(=O)N1CC[C@H]2C(=O)NCCO[C@H]2C1	W14010
CC(C)(C)OC(=O)N1CCC2(CC(N)CCO2)C1	W14011
CC(C)(C)OC(=O)N1CCC2(CCCC2C(=O)O)C1	W14012
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1	W14013
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1=CC=CC=C1)C[C@@H]2CO	W14014
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(=O)N2	W14015
CC(C)(C)OC(=O)N1CCCC2(CC1)CC(O)C2	W14016
C1=CC=C(CN2CCCC3(CCCCNC3)CCC2)C=C1	W14021
CC(C)(C)OC(=O)N1CCCCC2(CCCNCCC2)C1	W14022
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CO)N(C(=O)OCC1=CC=CC=C1)C2	W14035
CC(C)(C)OC(=O)N1CCC2(CC[C@H](CO)N2C(=O)OCC2=CC=CC=C2)CC1	W14036
CC(C)(C)OC(=O)N1CCC2(CC[C@H](COCC3=CC=CC=C3)N2)CC1	W14037
CC(C)(C)OC(=O)N1CCC2(CN(CC3=CC=CC=C3)CC2CO)C1	W14039
CC(C)(C)OC(=O)N1CC2(C[C@@H](CO)CCN2C(=O)OCC2=CC=CC=C2)C1	W14043
CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2CCO	W14045
CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@@H]2CCO	W14046
CC(C)(C)OC(=O)N1CC2(C[C@H](O)CS2(=O)=O)C1	W14049
CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CCO2)C1	W14050
CC(C)(C)OC(=O)N1CCC2(C1)OCCC2O	W14059
CN1C[C@@H](C(=O)O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	W14062
O=C1CCC2(CCC3(CC2)OCCO3)N1	W14064
COC(=O)[C@H]1C(=O)NCC12CC(NC(=O)OCC1=CC=CC=C1)C2	W14065
COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)OC(C)(C)C)C2	W14066
CC(C)(C)OC(=O)N1CC2(CC(=O)CCO2)C1	W14074
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CC(=O)N2	W14075
CC(C)(C)OC(=O)N1CC2(CC(=O)CCN2C(=O)OCC2=CC=CC=C2)C1	W14076
O=C(O)[C@H]1CN(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)CC12CCS(=O)(=O)CC2	W14077
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OCC1C3=C(C=CC=C3)C3=C1C=CC=C3)C[C@@H]2C(=O)O	W14078
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](I)CN2CC1=CC=CC=C1	W14083
CC(C)(C)OC(=O)NC1CCC2(CCC(=O)N2)CC1	W14087
O[C@@H]1CSC2(CNC2)C1	W14089
COC1=CC2=C(C=C1OC)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O	W14168
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=C2C=C(Cl)C=C1	W14171
CC(C)(C)OC(=O)N1CCC2(C=CC3=C2C=C(F)C=C3)CC1	W14173
CC(C)(C)OC(=O)N1CCC2(C=CC3=C2C=C(Cl)C=C3)CC1	W14174
COC1=CC2=C(C=C1OC)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1	W14175
CC1=CC2=C(C=C1)C1(C=C2)CCN(C(=O)OC(C)(C)C)CC1	W14176
CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H]2C1	W14391
O=C(OCC1=CC=CC=C1)N1CCCC2(CC2)C1	W14094
CC(C)(C)OC(=O)N1CC[C@H](O)C2(CCNCC2)C1	W14127
O=C1NCC[C@@]12CCCN(CC1=CC=CC=C1)C2	W14139
CC(C)(C)OC(=O)N1CC2(CCNCC2)C2=C1C=CC(Cl)=C2.Cl	W14140
CC1=CC2=C(C=C1)N(C(=O)OC(C)(C)C)CC21CCNCC1	W14142
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=C2C=CC(Br)=C1	W14145
CCOC(=O)[C@H]1C[C@]12C(=O)NC1=C2C=CC=C1	W14230
CC(C)(C)OC(=O)N1CCC2(CCC3=CNN=C32)CC1	W14231
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC1=C(C=CC=C1)O2	W14232
CC(C)(C)OC(=O)N1CCC2(C=C(C(=O)O)C3=C2C=CC=C3)CC1	W14146
CC(C)(C)OC(=O)N1CCC2(CCC3=C2C=C(F)C=C3)CC1	W14148
CC(C)(C)OC(=O)N1CCC2(CCC3=C2C=C(Cl)C=C3)CC1	W14149
COC1=CC2=C(C=C1OC)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1	W14150
CC1=CC2=C(C=C1)CCC21CCN(C(=O)OC(C)(C)C)CC1	W14151
CC(C)(C)OC(=O)N1CCC2(CCC3=CC=CC(Br)=C32)CC1	W14152
CC(C)(C)OC(=O)N1CCC2(CCC3=C2C=C(Br)C=C3)CC1	W14153
CC1=CC2=C(C=C1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]2CC(=O)O	W14167
C1=CC2=C(C=C1)C1(CCC2)CCNCC1	W14178
CC(C)(C)OC(=O)N1CCC2(CC1)NCCC1=C2C=CC=C1	W14179
CC(C)(C)OC(=O)N1CC(C(=O)O)C2(C1)C(=O)NC1=C2C=CC=C1	W14194
CC(C)(C)OC(=O)N1CCC2(CC1)CC1=C(C=CC=C1)C(=O)N2	W14195
CC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C1=C(C=CC=C1)OC2	W14196
CC(C)(C)OC(=O)N1CCC2(CC1)OCC(=O)NC1=C2C=CC=C1	W14197
COC(=O)C12CCC3(CCN(C(=O)OC(C)(C)C)CC3)C1CNC2	W14201
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC3=CC=CC=C3)[C@@H]2C1	W14267
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CC(=O)O)[C@H]2C1	W14274
CC(C)(C)OC(=O)N[C@@]12CNC[C@@H]1C2	W14276
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC1=C2C=CC=C1	W14202
CC(C)(C)OC(=O)N1CCC2(CC[C@@H]3C(C(=O)O)=NO[C@@H]32)CC1	W14203
CC(C)(C)OC(=O)N1CCC2(CC1)C1=C(C=CC=C1)N[C@H]2C(F)(F)F	W14204
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@]2(CCC(=O)N2)C1	W14205
CC(C)(C)OC(=O)N1CC2(C[C@@H](C3=CC=CC=C3)NC2=O)C1	W14207
CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCNCC1)=NO2	W14208
CC(C)(C)OC(=O)N1CC2(C1)C(=O)NC1=C2C=CC=C1	W14209
CC(C)(C)OC(=O)N1CC[C@]2(CCN3C(=O)C(=O)NN=C32)C1	W14211
CC(C)(C)OC(=O)N1CC[C@]2(CNC3=C2C=CC=C3)C1	W14212
CC(C)(C)OC(=O)N1CCC2(CC1)C1=NN=CN1C[C@@H]2C(=O)O	W14213
CC(C)(C)OC(=O)N1CCC2(CC[C@@H]3ON=C(C(=O)O)[C@@H]32)CC1	W14215
CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC1=C(N=CC=C1)N1C=CC=C12	W14217
CC(C)(C)OC(=O)N1CC2(C1)NC1=C(N=CC=C1)N1C=CC=C12	W14218
CC(C)(C)OC(=O)N1CCC2(C1)C(=O)NCC2C1=CC=CC=C1	W14219
CC(C)(C)OC(=O)N1CC[C@@]2(COCC3=C2N=C(S(C)(=O)=O)N=C3)C1	W14221
CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C1=C2N=CC=C1	W14222
CC(C)(C)OC(=O)N1CC2(CNC(=O)[C@H]2C2=CC=CC=C2)C1	W14223
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2)C2(CCNC2=O)C1	W14224
CC(C)(C)OC(=O)N1CC2(CNC[C@@]23CCNC3=O)C1	W14226
O=C(O)[C@@H]1C[C@]12C(=O)NC1=C2C=CC=C1	W14227
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@]2(CCNC2)C1	W14228
CCOC(=O)[C@@H]1C[C@]12C(=O)NC1=C2C=CC=C1	W14229
O=C1CCC[C@@]12CCN(CC1=CC=CC=C1)C2	W14233
CC(C)(C)OC(=O)N1CCOC[C@]2(CC3=NC=C(Br)N3C2)C1	W14236
CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCC3=CC=CC=C3)C[C@@]23CCNC3=O)C1	W14238
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]2COC[C@@H]21	W14328
CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@H](CN)[C@@H]2C1	W14330
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[C@@H](CO)N2C(=O)OCC2=CC=CC=C2)C1	W14332
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CO)CN(C(=O)OCC4=CC=CC=C4)C[C@@H]3[C@@H]2C1	W14389
Cl.FC[C@@H]1[C@H]2CNC[C@H]21	W14394
CCOC(=O)C12CNCC1(C(F)(F)F)CN(C(=O)OC(C)(C)C)C2	W14395
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CN)O[C@H]2C1.O=C(O)C(=O)O	W14337
CCOC(=O)[C@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	W14338
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CN)CCC[C@H]2C1	W14292
CC(C)(C)OC(=O)N1C[C@@H]2CCNC(=O)[C@H]2C1	W14294
CC(C)(C)OC(=O)N1C[C@@H]2CCNC(=O)[C@H]2C1	W14295
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@]2(C(F)(F)F)C1	W14296
CC(C)(C)OC(=O)N1CC2C[C@]2(N)C1	W14339
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](CCO)[C@@H]2C1	W14340
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=C2C=CC(Cl)=C1	W14243
CC(C)(C)OC(=O)N1CC2(C[C@@H](C3=CC=C(Br)C=C3)NC2=O)C1	W14244
CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)C3=C2C=CC=C3)CC1=O	W14247
CC(C)(C)OC(=O)N1CC2(CCCC2)C2=C1C=CC(C(=O)O)=C2	W14251
CC(C)(C)OC(=O)N1CC2(CCN(C(=O)OCC3=CC=CC=C3)CC2)C2=C1C=CC(F)=C2	W14253
COC(=O)[C@]12CCC3(CCN(C(=O)OC(C)(C)C)CC3)[C@@H]1CNC2	W14255
CC(C)(C)OC(=O)N1CC[C@H]2NCC[C@@H]21	W14262
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)O)C1	W14284
CC(C)(C)OC(=O)N1CC2CCC2(NC(=O)OCC2=CC=CC=C2)C1	W14359
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CCO)[C@H]2C1	W14362
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CCN)[C@H]2C1	W14363
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C(=O)O)[C@@H]2C1	W14288
CC(C)(C)OC(=O)N1CC[C@@H]2OCCN[C@H]2C1	W14301
CC(C)(C)OC(=O)N1CCN[C@H]2CCN(C(=O)OCC3=CC=CC=C3)CC[C@@H]21	W14307
CCOC(=O)C12CC1CCN2.Cl	W14308
CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](CI)C[C@H]2C1	W14409
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CC(=O)O)O[C@H]2C1	W14416
CC(C)(C)[Si](O[C@@H]1CC[C@H]2[C@@H]1OCC(=O)N2CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	W14418
CC(C)(C)OC(=O)N1CC2CCC2(C(=O)O)C1	W14309
C1COC2CNCCC2C1	W14314
CC(C)(C)OC(=O)N1CC2CNS(=O)(=O)C2C1	W14316
CC(C)(C)OC(=O)N1CCOC2C(CO)CCC21	W14319
OCC1CC2NCCOC2C1	W14321
CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(CN)C1	W14322
CC(C)(C)OC(=O)N1CCN2[C@@H](CC[C@@H]2CO)C1	W14323
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)O)[C@@H]2C1	W14341
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)O)[C@@H]2C1	W14342
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](CO)[C@@H]2C1	W14343
CC(C)(C)OC(=O)N1C[C@@H]2CC(CI)O[C@H]2C1	W14429
CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)O)=NO[C@H]2C1	W14431
CCOC(=O)[C@]12CCCO[C@H]1CCN(C(=O)OC(C)(C)C)C2	W14432
CCOC(=O)[C@]12CCCO[C@@H]1CC(=O)NC2	W14433
O=C1C[C@H]2[C@H](CCN2C(=O)OCC2=CC=CC=C2)N1	W14434
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)O	W14520
CC(C)(C)OC(=O)N1[C@H](C(=O)O)[C@H]2CC[C@@H]1C2	W14521
CCOC(=O)[C@@H]1[C@@H]2CNC[C@H](C2)N1C(=O)OC(C)(C)C	W14523
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2CC(=O)O	W14524
CC(C)(C)OC(=O)N1CC2CC1C[C@@H]2O	W14529
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](CN)[C@@H]2C1	W14345
CCOC(=O)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	W14346
CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CNC2	W14347
CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](CO)CC[C@@H]21	W14349
CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@]2(C(=O)O)C1	W14352
CC(C)(C)OC(=O)N1CCNC2CC21	W14354
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)OCC3=CC=CC=C3)[C@H]2C1	W14355
CCOC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1CNC2	W14357
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H]2OCCC[C@@H]21	W14372
CC(C)(C)OC(=O)NC[C@H]1[C@@H]2CN(CC3=CC=CC=C3)C[C@H]12	W14373
CC(C)(C)OC(=O)N1CCCN2C(=O)C=C(CCl)N=C2C1	W14377
CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)O	W14477
CC(C)(C)OC(=O)N1[C@H](C(=O)OCC2=CC=CC=C2)C[C@@H]2CCC[C@@H]21	W14481
Cl.O=C1C2=C(C=CC=C2)[C@@H]2CNC[C@H]12	W14486
CC(C)(C)OC(=O)N1CC[C@@H]2NC3=C(C=C(Br)C=C3)[C@H]2C1	W14487
O=C1C2=C(C=CC=C2)[C@@H]2CNCCN12	W14490
CC(C)(C)OC(=O)N1C[C@@H]2CNC3=C(C=CC=C3)[C@H]2C1	W14492
Cl.FC1(F)C2CNCC1COC2	W14546
Cl.O=C1COC[C@@H]2CNCCN12	W14399
CC(C)(C)OC(=O)N1C[C@]2(F)CNC(=O)[C@]2(F)C1	W14400
O=C(OCC1=CC=CC=C1)N1CC[C@@H]2CC(CBr)O[C@H]2C1	W14402
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CI)O[C@H]2C1	W14406
CC(C)(C)[Si](O[C@H]1CC[C@H]2[C@@H]1OCC(=O)N2CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	W14419
F[C@H]1CNC[C@H]2C[C@H]21	W14421
CC(C)(C)OC(=O)N1CC2CN(C(=O)OCC3=CC=CC=C3)CC2(CO)C1	W14423
Cl.N[C@H]1[C@@H]2CN(C(=O)OCC3=CC=CC=C3)C[C@H]12	W14424
CC(C)(C)OC(=O)N1C2CCC1C(=O)NC2	W14604
CC(C)(C)OC(=O)N1CC2CC(O)CC1C2	W14611
CC(C)(C)OC(=O)N1CC2OCC1C2CF	W14612
CC(C)(C)OC(=O)NC12CC(CCO)(C1)C2	W14614
CC(C)(C)OC(=O)N1CCC2CC21CO	W14438
NC12CCN(C(=O)OCC3=CC=CC=C3)C1CC(=O)N2	W14440
CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@]2(CO)C1	W14441
CCOC(=O)C1=COC2=C1CNC2.Cl	W14442
COC(=O)[C@@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2	W14450
C[C@H]1CO[C@H]2CNC[C@@H]12.Cl	W14458
CC1=CC=C(S(=O)(=O)N2CC[C@H]3C[C@H]3C2)C=C1	W14462
CC(C)(C)OC(=O)N1C[C@H]2CCN(CC3=CC=CC=C3)CC[C@H]2C1	W14467
CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21	W14483
CC(C)(C)OC(=O)N1CCC2(CC1)C1=C(C=CC=C1)O[C@@H]2C(=O)O	W14494
CC(C)(C)OC(=O)C1=NN=C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CN12	W14495
CC(C)(C)OC(=O)N1CCC2(C3=CC=C(Br)C=C3)CCOCC12	W14496
O=S1(=O)NC[C@@H]2C3=C(CC[C@@H]21)CNC3	W14499
CC(C)(C)OC(=O)N1C[C@@H]2C3=C(C=CC=C3)[C@@H](O)[C@@H]2C1	W14501
O=C1CC[C@@]2(C3=CC=CC=C3)CCN(CC3=CC=CC=C3)[C@H]2C1	W14502
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C(=O)O)CN(C(=O)OCC4=CC=CC=C4)C[C@H]3[C@@H]2C1	W14503
CC1=CC=C(S(=O)(=O)N2CC3CC[C@@H]4C(=O)NC[C@@H]4[C@@H]3C2)C=C1	W14505
CC(C)(C)OC(=O)N1C[C@@H]2C3=C(C=CC=C3)NC[C@@H]2C1	W14507
O=C1[C@@H](Br)C[C@@H]2CO[C@@H](C3=CC=CC=C3)N12	W14511
O=C1[C@@H](Br)C[C@H]2CO[C@@H](C3=CC=CC=C3)N12	W14512
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@H]1CCC2=O	W14513
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@](C)(O)CC[C@H]4[C@@H]3CC[C@@]12C	W14514
O=C(O)C1=CC2=C(C=CN=C2Cl)O1	W14709
CC(C)(C)OC(=O)N1CCN2N=NC(C(=O)O)=C2C1	W14798
CSC1=NC2=C(C=N1)NCCN(C(=O)OC(C)(C)C)C2	W14799
CC1(C)CC2=C(C(O)=NN2)N(C(=O)OC(C)(C)C)C1	W14800
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C2=C(C1)N=C(N)N=C2	W14801
CSC1=NC2=C(C=N1)N(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2	W14802
CC(C)(C)OC(=O)N1CCN2C(CO)=NN=C2C1	W14803
CC(C)(C)OC(=O)N1CCC2=NN=C(CO)N2CC1	W14804
COC(=O)[C@H]1C2=C(CCN1C(=O)OC(C)(C)C)N(CC1CC1)N=N2	W14890
CN1C=NC2=C1[C@@H](CO)CN(C(=O)OC(C)(C)C)C2	W14891
CC(C)(C)OC(=O)NC[C@@H]1OCCC2=CNN=C21	W14894
C[C@H]1C2=NC=C(CO)N2CCN1C(=O)OC(C)(C)C	W14895
CCOC(=O)C1=NN2CCCNCC2=C1.Cl	W14897
CCOC(=O)C1=CN=C2[C@H](C)NCCN12	W14898
CC(C)(C)OC(=O)N1C2CNC(=O)CC1COC2	W14538
CC(C)(C)OC(=O)N1CC2CCC1C2N	W14539
CC(C)(C)OC(=O)N1CC2CC1C[C@@H]2N	W14540
CC(C)(C)OC(=O)N1CC2CC(=O)CC1C2	W14551
CC(C)(C)OC(=O)N1C2CC(C[C@H]2O)[C@H]1C(=O)O	W14558
CC(C)(C)OC(=O)N1C2CC(C[C@H]2F)[C@H]1C(=O)O	W14559
CCOC(=O)[C@@H]1C2CCC(CC2=O)N1C(=O)OC(C)(C)C	W14566
CCOC(=O)[C@@H]1C2CCC(C2)N1C(=O)OC(C)(C)C	W14575
CC(C)(C)OC(=O)NC1CC2CC1CN2	W14579
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C1)C2O	W14582
COC(=O)C1C2CN(C(=O)OC(C)(C)C)C1CO2	W14584
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2O	W14585
CC(C)(C)OC(=O)N1CC2(CN)CC1CO2	W14587
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2N	W14591
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2	W14592
CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)O	W14593
CC(C)(C)OC(=O)N1CCOC2CCC1C2O	W14594
CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)[C@H]2N	W14595
CCOC(=O)[C@@H]1C2CC(C[C@@H]2O)N1C(=O)OCC1=CC=CC=C1	W14601
NC12CCCC(NC(=O)OCC3=CC=CC=C3)(CC1)C2	W14619
COC(=O)C1=C(OC)C=C(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)C=C1	97400
CCOC(=O)CC1=CN2N=C(Br)SC2=N1	W14663
CCOC(=O)C1=C2SC(Br)=CN2C=N1	W14664
CCOC(=O)C1=CN2N=C(Br)SC2=N1	W14665
BrC[C@@H]1OCCC2=CN(CC3=CC=CC=C3)N=C21	W14887
CC(C)(C)OC(=O)N1CCCC2=C(C1)NN=C2O	W14889
C[C@H]1C2=NC=C(C(=O)O)N2CCN1C(=O)OC(C)(C)C	W14899
COC(=O)C1=C(Br)C2CCC1N2	W14622
CC(C)(C)OC(=O)N1CC2CCC(C1)C(=O)N2	W14624
CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2	W14625
COC(=O)C1=C(Br)C2C=CC1N2C(=O)OC(C)(C)C	W14631
CC(C)(C)OC(=O)N1C[C@]2(CO)C[C@H]1CO2	W14633
CC(C)(C)OC(=O)N1CCC2(CC1)C1C=CC2C(C(=O)O)C1	W14644
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3[C@](CNS3(=O)=O)(C1)O2	W14645
O=C(O)C1[C@@H]2CCC[C@@H]1C1=C(C=CC=C1)N2	W14646
CCOC(=O)C1C2CCC(N1C(=O)OCC1=CC=CC=C1)C21CCN(C(=O)OC(C)(C)C)CC1	W14648
CCOC(=O)C12CC3=C(C=CC=C3)C(CNC1=O)C2	W14649
CC(C)(C)OC(=O)N1C2COCC1C1=C(C2)NN=C1	W14650
COC(=O)C1=CN2N=C(Cl)N=C2C=C1	W14746
CC1=NC2=CC(C(=O)O)=CC=C2C(Cl)=C1	W14668
CCOC(=O)C1=C2C=CC=C(Br)N2C=N1	W14670
CCOC(=O)[C@H](C)C1=CN2C=C(Br)SC2=N1	W14671
CCOC(=O)C1=C2N=C(O)N=C(O)C2=NS1	W14672
CCOC(=O)C1=NN2C=CN=C(Cl)C2=N1	W14673
FC1=CC2=C(C=C1)N1N=C21	W14678
CCOC(=O)NC1=C(C(=O)OCC)OC2=C1C=C(Br)C=C2	W14679
CCOC(=O)C1=C(Cl)C2=C(S1)C(Br)=NC=C2	W14682
COC(=O)C1=C(O)C2=C(C=C1)OC=C2	W14685
OCCC1=CC2=C(C=CC=C2)N1	W14688
CCOC(=O)C1=CC2=C(C=C(C)N=C2Cl)N1	W14691
CC1=C(C)C2=C(C=C(C=O)N2)C(Cl)=N1	W14692
CC1=NNC2=CC(Br)=CC(F)=C21	W14693
CC1=C2C(=C(N)C(F)=C1F)C(=O)C(C(=O)O)=CN2C1CC1	W14698
C=CC1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C2=C1C=C(C#N)C=C2	W14700
CC1=CC=C(S(=O)(=O)N2C=C(C=O)C3=C2C=CC(C#N)=C3)C=C1	W14701
CC1=C(I)N2C=CC=C(Cl)C2=N1	W14714
COC(=O)C1=CN=C2SCC(=O)NC2=C1	W14724
ClC1=CC=C2C=NC(Br)=CC2=N1	W14725
O=C1NC=NC2=C1C(F)=CN2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	W14733
COC1=CC=C(C2=CC(=O)C3=C(C=C(OCC4=CC=CC=C4)C=C3OC)O2)C=C1	W14740
NC1=C(Br)C=C2C(=C1)OC=C2C(=O)O	W14741
CCOC(=O)C1=C2C(Cl)=NC3=C(C=CC=C3)N2C=N1	W14753
CCOC(=O)C1=CN=C2C3=C(N=C(Cl)N12)SC=C3	W14754
CCOC(=O)C1=NN=C2C(Cl)=NC3=C(C=CC=C3)N12	W14755
O=C(O)C1=NN2C(=N1)C(Cl)=NC1=C2C=CC=C1	W14756
CN1C=C(C2=CC3=CC(N)=CC=C3N=C2)C=N1	W14757
CC(C)(C)OC(=O)N1CCC(C2=NN3C=C(Br)C=CC3=N2)CC1	W14758
CC(C)(C)OC(=O)N1CC(C2=C3C=CC(Br)=CN3C=N2)C1	W14759
CCOC(=O)C1=C2C=CC=CN2C2=C1C(Cl)=NC=N2	W14760
O=C(O)C1=NN2C(=N1)C(=O)NC1=C2C=CC=C1	W14763
ClC1=NC2=NC(SCC3=CC=CC=C3)=NN2C=C1	W14764
CCOC(=O)C1=CN=C2CN(C(=O)OC(C)(C)C)CCN12	W14855
CC(C)(C)OC(=O)N1CC2=C(Br)N=NN2C[C@@H]1CO[Si](C)(C)C(C)(C)C	W14858
CC(C)(C)OC(=O)NC1=C2CN(C(=O)OCC3=CC=CC=C3)CCN2N=C1	W14859
O=C(O)[C@H]1CCC2=NC(Cl)=NC(Cl)=C2C1	W14790
CC(C)(C)OC(=O)N1CCC2=C1C=C(C(=O)O)S2	W14791
CC(C)(C)OC(=O)N1CCC2=C(N=CN2)[C@@H]1C(=O)O	W14792
CCOC(=O)C1=NC2=C(CCN(C(=O)OC(C)(C)C)CC2)S1	W14793
CC(C)(C)OC(=O)N1CCC2=C(CC1)C(I)=NN2	W14794
CC(C)(C)OC(=O)N1CCC2=C(C(=O)O)N=CN2CC1	W14795
CC(C)(C)OC(=O)N1CCC2=NC=C(C(=O)O)N2CC1	W14796
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2CO	W14808
CC(C)(C)OC(=O)N1CCCN2C=NC(CO)=C2C1	W14809
CC(C)(C)OC(=O)N1CCC2=C(C1)C(CO)=NO2	W14810
CC(C)(C)OC(=O)N1CC2=C(C1)OC(CO)=N2	W14812
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(CO)N2	W14813
CCOC(=O)C1=NN=C2CCN(C(=O)OC(C)(C)C)CCN21	W14815
CC(C)(C)OC(=O)N1CCCC2=C1C(O)=NN2	W14816
CN1C=NC2=C1[C@H](CO)N(C(=O)OC(C)(C)C)CC2	W14818
CC(C)N1C=NC2=C1[C@H](CO)N(C(=O)OC(C)(C)C)CC2	W14819
CC(C)(C)OC(=O)N1CC2=CN=CN2C[C@H](CO)C1	W14820
CC(C)(C)OC(=O)N1CCC2=C(C=NC=C2C(=O)O)C1	W14821
CC(C)(C)OC(=O)N1CCC2=NC=C(C=O)N2CC1	W14822
C1=C2N3CCN2C(=N1)C3	W14823
CC(C)(C)OC(=O)N1CCN2C=C(C=O)N=C2C1	W14824
CC(C)(C)OC(=O)N1CCN2C=C(Br)N=C2C1	W14827
CC(C)(C)OC(=O)N1CCN2N=CC(CO)=C2C1	W14828
CCOC(=O)C1=NN2CCN(C(=O)OCC3=CC=CC=C3)CC2=C1	W14829
CCOC(=O)C1=NN2CCCN(C(=O)OC(C)(C)C)CC2=C1	W14833
CC(C)(C)OC(=O)N1CCC2=NC(Br)=CN2CC1	W14834
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=N2	W14836
CCOC(=O)[C@H]1CCC2=C(Br)N=NN2C1	W14837
CC1=NC(N)=NC2=C1N=C(Br)C(=O)N2C(C)C	W14839
CC(C)(C)OC(=O)N1CCN2C(CO)=CN=C2C1	W14840
CC(C)(C)OC(=O)N1CCN2C(C(=O)O)=CN=C2C1	W14841
CC(C)(C)OC(=O)NC[C@@H]1OCCC2=CN(CC3=CC=CC=C3)N=C21	W14843
CC(C)(C)OC(=O)N1CCC2=C(CC1)N=C(O)C=C2	W14845
CCOC(=O)C1=NC2=C(CN(C(=O)OC(C)(C)C)CC2)O1	W14847
CC(C)(C)OC(=O)N1CCC2=NC=CN2CC1	W14849
CCOC(=O)C1=CN=C2CCN(C(=O)OC(C)(C)C)CCN12	W14851
CCOC(=O)[C@H]1CN2C=NC=C2CN(C(=O)OC(C)(C)C)C1	W14853
CN1N=C(CO)C2=C1CCN(C(=O)OC(C)(C)C)C2	W14861
CC(C)N1N=C(CO)C2=C1CN(C(=O)OC(C)(C)C)CC2	W14862
CC(C)(C)OC(=O)N1CCCC2=C(C1)NN=C2OS(=O)(=O)C(F)(F)F	W14863
CCOC(=O)C1=C2CNCCN2C=N1	W14864
CCOC(=O)C1=C2CNCCCN2C=N1.Cl	W14865
N#CC1=C2CCCN(C(=O)OCC3=CC=CC=C3)CC2=CN=C1Cl	W14866
CCOC(=O)C1=CN=C2[C@H](C)N(C(=O)OC(C)(C)C)CCN12	W14867
CCOC(=O)C1=C2CN(C(=O)OC(C)(C)C)CC2=NN1C	W14868
CCOC(=O)C1=C2CCN(C(=O)OC(C)(C)C)CC2=NN1C	W14869
CC(C)(C)OC(=O)N1CC(=O)C2=C(C=CS2)C1	W14872
CCN1N=NC2=C1[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2	W14876
CC(C)(C)OC(=O)N1CC2=C([C@H](C(=O)O)C1)N(CC1CC1)N=N2	W14877
CN1N=NC2=C1CCN(C(=O)OC(C)(C)C)[C@H]2CO	W14878
CCN1N=NC2=C1CCN(C(=O)OC(C)(C)C)[C@H]2CO	W14879
CCN1N=NC2=C1[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C2	W14880
O=C(O)[C@H]1CCC2=NC(O)=NC(O)=C2C1	W14882
O=C(OCC1=CC=CC=C1)N1CCCN2C=NC(CO)=C2C1	W14883
CCN1N=NC2=C1CCN(C(=O)OC(C)(C)C)C2	W14886
CC(C)(C)OC(=O)N1CCC2=C(Br)N=C(Br)N2CC1	W14901
O=C(O)[C@@H]1CCC2=CC=CC(Cl)=C21	W14986
CN1CCN(C)[C@@H](C2=CC=C(N)C=C2)C1=O	W15096
CC1=C(O)C=CC2=C1OCCC2=O	W14975
CC(C)(C)OC(=O)N1CCC(C(=O)O)(N2C=CN=C2)CC1	W15064
CC(C)(C)OC(=O)N1CCC(N2C=CC=N2)CC1CO	W15065
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](C2=CC=CC=C2)C1	W15066
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H](C2=CC=CC=C2)C1	W15067
COC1=CC=C([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)C=C1	W15069
CC1=C([C@@H]2CC(=O)CCN2C(=O)OC(C)(C)C)C=CC(F)=C1	W15070
O=C(O)C1=NN2CCCNC(=O)C2=C1	W14903
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](CCO)C1	W14906
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](CCN)C1	W14907
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](O)C1	W14908
CC1=CC(Cl)=NC2=C1CN(C(=O)OC(C)(C)C)CC2	W14910
CCOC(=O)C1=COC2=C1CN(C(=O)OC(C)(C)C)C2	W14912
CC(C)(C)OC(=O)N1CC2=C(C1)C(CO)=CO2	W14913
CCOC(=O)C1=NN2CCN(C(=O)OC(C)(C)C)CC2=C1	W14915
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC2=C1NN=C2	W14918
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC2=CC=NN21	W14921
CC(C)N1N=C2CN(C(=O)OC(C)(C)C)CCC2=C1CO	W14922
CCOC(=O)[C@H]1C(=O)NC(=O)C2=CC=CN21	W14925
CCOC(=O)C1=CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2=N1	W14926
CCOC(=O)[C@H]1CCC2=NC(O)=NC(O)=C2C1	W14936
CC(C)(C)OC(=O)N1CC(=O)C2=C(C1)N=C(N)N=C2	W14947
CC1=C(CO)C=CC2=C1CCN(C(=O)OC(C)(C)C)CC2	W14953
CC(C)(C)OC(=O)N1CCC2=C(C1)C(Br)=NN2	W14962
O[C@H]1CCC2=C(Br)C=CC=C21	W15007
CC1(C)OB(C2=C3CC[C@H](O)C3=CC=C2)OC1(C)C	W15008
CC(C)(C)OC(=O)N1CCC2(CC1)C1=NC=C(Br)N1CCC1=C2C=CC=C1	W15009
O=C(O)C1=C2CNS(=O)(=O)C3=C(C=CC=C3)N2C=N1	W15010
CCOC(=O)C1=C2CNC3=C(C=CC=C3)N2C=N1	W15011
CC(C)(C)OC(=O)N1CCC([C@@H]2CC(=O)C3=C(C=C(Br)C=C3)O2)CC1	W15014
NC(=O)N1CCC2=C1C=CC1=C2C=C(C(=O)O)N1	W15016
C[Si](C)(C)CCOCN1C(=O)[C@]2(CC3=C(C=C(N)C=C3)C2)C2=CC=CN=C21	W15018
C[Si](C)(C)CCOCN1C(=O)[C@]2(CC3=C(C=C([N+](=O)[O-])C=C3)C2)C2=CC=CN=C21	W15019
NC1=CC2=C(C=C1)C[C@@]1(C2)C(=O)NC2=C1C=CC=N2	W15021
C[Si](C)(C)CCOCN1C(=O)[C@]2(CC3=C(C=C(N)C=C3)C2)C2=CC=CN=C21	W15022
CC(C)(C)OC(=O)NCC1=C(C2=C(CC(=O)O)C=CC=C2)C=CC=C1	W15029
O=C(O)C1=C2C=CC=CN2C(C2=NNC=C2)=C1	W15060
O=C(O)C1=C([C@@H]2CN(CC3=CC=CC=C3)CCO2)N=CN=C1	W15071
NC1=NC([C@@H]2COCCN2C(=O)OCC2=CC=CC=C2)=CS1	W15078
COC(=O)[C@H]1CCN[C@@H]1C1=CC=CC=C1.Cl	W15079
CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H]1C1=CN=CC=C1	W15088
CC(C)(C)OC(=O)N1CCC(C(=O)O)(N2C=CC=N2)CC1	W15103
CCOC(=O)C1=CSC([C@@H]2CCCN2C(=O)OC(C)(C)C)=N1	W15111
C[C@@]1(C2=C(F)C=CC(Br)=C2)CN1S(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1	W15112
O=C(O)C1CCN(C2=NC=C(F)C=C2)CC1	W15122
OC1CCN(C2=NC=C(F)C=C2)CC1	W15123
CC(C)(C)OC(=O)N1CCN(C2=CC=C3C=CC(C(=O)O)=CN32)CC1	W15126
CC(C)(C)OC(=O)N1CCC[C@H]1C1=C2C=CC(Br)=CN2N=N1	W15127
CC(C)(C)OC(=O)N1CCC[C@H](N2C=NC3=C2C=CC(Br)=C3)CC1	W15128
CC(C)(C)OC(=O)N1CC(C2=C3C=C(Br)C=CN3C=N2)C1	W15130
CC(C)(C)OC(=O)N1CC(C2=NN3C=C(Br)C=CC3=C2)C1	W15131
CC(C)(C)OC(=O)N1CC([C@@H]2CCNC2=O)C1	W15141
CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	W15144
O=C(O)C1=CC2=C(C=C1)NC[C@H]2C1CCOCC1	W15149
CC(C)(C)OC(=O)N1CCC([C@@H]2C(=O)NC3=C2C=CC=C3)CC1	W15150
CC1=CC(F)=NC(N)=C1	W15274
CC(C)(C)OC(=O)N1CCCC(C2CNC3=C2C=CC=C3)C1	W15152
CC(C)(C)OC(=O)N1CCC(C2C(=O)NC3=C2C=CC=C3)C1	W15153
CC(C)(C)OC(=O)N1CCCC(C2CN(C(=O)OCC3=CC=CC=C3)C3=C2C=CC=C3)C1	W15154
CC(C)(C)OC(=O)N1CCC([C@@H]2CN(C(=O)OCC3=CC=CC=C3)C3=C2C=CC=C3)CC1	W15155
O=C1C=CN([C@H]2O[C@H](CO)[C@H]3OC4(CCCC4)O[C@@H]23)C(=O)N1	W15530
CC(C)(C)OC(=O)N1CCC(NC2=CC=CC=C2)(C(=O)O)CC1	W15164
COC1=CC=CC(NC2(C(=O)O)CCSCC2)=C1	W15177
CCOC(=O)[C@H]1CC[C@](C)(O)CN1C(=O)OC(C)(C)C	W15194
C[C@H]1C(=O)COCCN1C(=O)OC(C)(C)C	W15198
Cl.O=C(O)[C@H]1CNCCC1(F)F	W15317
CCOC(=O)[C@H]1CNCCC1(F)F.Cl	W15318
COC1=CC(C(C)=O)=C(O)C=C1O	W15328
C#C[C@]1(O)CCN(C)C1=O	W15232
C#C[C@]1(O)CCN(C)C1=O	W15233
OCC1(CO)CC=CC1	W15260
CCOC(=O)CC1=CC(N)=C(Cl)C=C1	W15278
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCC2=CC=CC=C2)CCC1(F)F	W15361
CC1(C)O[C@H]2[C@@H](O)C=C(COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[C@H]2O1	W15364
COC(=O)C1=CN=C(C)C(Cl)=N1	W15307
CNC1=C([N+](=O)[O-])C(C)=C(Br)C=C1	W15337
COC(=O)C1=CC(F)=C(Br)C=C1OC	W15413
C=CC[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1OC(=O)C1=CC=CC=C1	W15340
CC(=O)OC[C@H]1O[C@H](N)[C@@H](OC(C)=O)[C@@H](OCC2=CC=CC=C2)[C@@H]1OC(C)=O	W15365
N#CCC1=C(F)C=C(C#N)C=C1F	W15392
C[S@](=N)(=O)C1=CC=C(C#N)C=C1	W15398
CC(C)(C)OC(=O)N[C@@H]1C=CC(=O)CC1	W15408
NCC12CCN(CC1)C2	W15503
O=C1NOC2=C1C=CC(F)=C2F	W15602
C1=CC2=C(C=C1)N(C[C@H]1CN3CCC1CC3)C1=C(C=CC=C1)S2	W15584
OC[C@H]1O[C@H](O[C@H]2CO[C@H](OCC3=CC=CC=C3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	W15468
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(N)=S	W15487
O=C(NC1=C2N=CN([C@H]3O[C@@H](COC(=O)C4=CC=CC=C4)[C@H](OC(=O)C4=CC=CC=C4)[C@@H]3F)C2=NC=N1)C1=CC=CC=C1	W15495
CC1=CC=C(S(=O)(=O)O[C@@H]2CO[C@H]3[C@H](OS(=O)(=O)C4=CC=C(C)C=C4)CO[C@@H]23)C=C1	W15516
FC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.F[B-](F)(F)F	W15600
CC1=CC=C(S(=O)(=O)O[C@@H]2CO[C@H]3[C@@H](O)CO[C@H]32)C=C1	W15517
Cl.Cl.NNC12CC(C1)C2	W15522
Cl.N[C@H](C(=O)O)C1C2=C(C=CC=C2)CCC2=C1C=CC=C2	W15531
Cl.N[C@H](C(=O)O)C1C2=C(C=CC=C2)CCC2=C1C=CC=C2	W15532
O=C1C=CN([C@@H]2O[C@](F)(COC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C3=CC=CC=C3)[C@H]2F)C(=O)N1	W15533
CC(=O)N1CCN(C2=CC(F)=C(CN3[C@@H](C)CC[C@@H](C4=CC=CC=C4)S3(=O)=O)C=C2)CC1	W15535
CC[C@H]1C(=O)N(C)C2=C(N=C(N3C=CN=C3C3=CC=C(F)C=C3)N=C2)N1C1=NN(C)C=C1	W15536
ClC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=CN2C1CCC2(CC1)OCCO2	W15544
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CO)CN1C(=O)OC(C)(C)C	W15556
COC1=CC=C([C@H](CC(=O)N2CCCC2)C2=C(OC)C=C(OC)C3=C2OC(=O)C=C3C2=CC=CC=C2)C=C1	W15560
CCN1C=C(Br)C2=C(C=C(C(=N)NC3CCS(=O)(=O)CC3)S2)C1=O	W15563
NC1=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=CN(C3CCC4(CC3)OCCO4)C2=NC=N1	W15564
O=CN1CCN(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)C3=C2)CC1	W15568
BrC1=C2CCCCN2C=N1	W15572
CCOC(=O)[C@H](CC1=CC=C(C2=C(C)N(C)C(=O)N(C)C2=O)C=C1)NC(=O)OC(C)(C)C	W15573
CCCC[C@H](OC1=C(C#CC2=C(OC(F)(F)F)C=CC=C2)C=C(C(=O)O)C(O)=C1)C(=O)O	W15575
C[C@]12CCCC(=O)N1[C@@H]1C3=C(C=CC=C3)C[C@@H]1O2	W15589
CC1=C(C2=C(C3=C(C)SC(B(O)O)=C3)CCC2)C=C(B(O)O)S1	W15673
O=C1CN(C2=NC(C(=O)O)=CC=C2)CCCN1	W15674
CC1=C(C2=C(C3=C(C)SC(Cl)=C3)CCC2)C=C(Cl)S1	W15675
CC(C)C1=CC=CC2=C1SC1=C(C=CC=C1)C2=O	W15680
CS(=O)(=O)C1=C(COCC(F)(F)F)C(Cl)=C(C(=O)C2C(=O)CCCC2=O)C=C1	W15593
CSC1=C(C)C(Cl)=C(C(C)=O)C=C1	W15594
CC/C(C1=CC=CC=C1)=C(/C1=CC=C(O)C=C1)C1=CC=C(OC(=O)C(C)(C)C)C=C1	W15708
O=C1C=CC(C2=CC=C(C(=O)O)C=C2)=NN1	W15710
CC(=O)C1=C(Cl)C(C)=C(S(C)(=O)=O)C=C1	W15717
CC(C)(C)OC(=O)N[C@H]1CN(CC2=CC=CC=C2)CC12COC2	W15719
C1CC(OC2CCNCC2)CCN1	W15720
COC1=C(Cl)C=CC(N2CCN(C(=O)OC(C)(C)C)CC2)=C1	W15723
CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	W15629
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)O	W15636
CC1(C)CC[C@@H]1C(=O)O	W15641
O=C1COCC2(CCC2)N1	W15706
CCOC(=O)[C@H]1CN(CC2=CC=CC=C2)CC12CN(C(=O)OC(C)(C)C)C2	W15779
CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)O	W15781
CC1=C(C(=O)CCCC(=O)C2=C(C)SC(Cl)=C2)C=C(Cl)S1	W15689
CN1CCCN2N=C(C(=O)O)C=C2C1	W15701
CCOC(=O)C1CN(CC2=CC=CC=C2)CC1C1(NC(=O)OC(C)(C)C)CC1	W15728
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C[C@H]1C1=CC=C(C(=O)O)C=C1	W15777
CC1=C([C@@H](C#N)C2CC2)N=CC(F)=C1Cl	W15729
CCOC(=O)C1(C(=O)C2CC2)CC1	W15938
CC1=C(OC(C)(C)C)C(F)=CN=C1F	W15741
OC1CCC2(CCCO2)CC1	W15742
CC(C)(C)OC(=O)N1CCOC2(CCCCC2)C1	W15747
C[Si]1(C)C[C@@H](C(=O)O)N(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C1	W15806
CCOC(=O)C1(NCC2=CC=CC=C2)CC1	W15824
CC1=CC=C2C=CC=C(C#N)C2=N1	W15832
COC1=NC=C([C@H]2CCNC2)C=C1.Cl	W15836
Cl.Cl[C@H]1CCNC1	W15837
CC(C)(C)C1=CSC(COC2=CC(C(=O)O)=CC=C2)=N1	W15854
CO[C@H]1C[C@@H](O)C1	W15861
CC(C)(CO)NC(=O)C(C)(C)Br	W15893
OC1CCN(C2COC2)CC1	W15932
CC1=CC(S(C)(=O)=O)=C(S(C)(=O)=O)C=C1C(=O)O	W15948
CC(C)(C)C1=NC=CC=C1N	W16124
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C1=CC=CC=C1	W16078
CC1(C)OB(C2=CC3=C(C=C2)OC2=C3C=CC=C2)OC1(C)C	W16082
CC1=CN2N=C(Cl)N=C2C=C1	W16117
CC1=CC=CC2=NC(Cl)=NN12	W16118
CC1=CC=CN2N=C(Cl)N=C12	W16119
O=C(O)CC1=CC=C(C2COC2)C=C1	W16155
NC1=C2COCCC2=CC=C1	W16157
C[C@H](N)CN1CCCC2=C(C=CC=C2)C1	W16158
N#CC1=CN=C2SC=CC2=C1	W16275
CN1CCN(C2(C(=O)O)CC2)CC1.Cl	W16183
C1=C2CCCC2=CC2=C1CCC2	W16185
CC(C)[C@@H](NC(=O)OCC1=CC=CC=C1)[C@H](O)C(F)(F)F	W16191
COC1=CC=C(COC2=CC(C=O)=CC(Br)=C2)C=C1	W16339
CN1N=CC=C1CC1CC1	W16205
CN1N=CC(Br)=C1CC1CC1	W16206
FC1(F)CC(N2CCNCC2)C1	W16239
CC1CCC(C(=O)O)CO1	W16296
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](CC#N)C1	W16316
CC1=C(C)C=C(C2=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C2)C=C1	W16327
CN1CCN(C)/C(=N/C2=C(C(=O)NC3=CC=CC=C3)C=C([N+](=O)[O-])C=C2)C1	W16384
Cl.FC1(C2=CC=C(Cl)C=C2)CCNCC1	W16483
CC(C)(C)OC(=O)N1CC(O)(C(F)F)C1	W16484
FC1=CC2=NC=C(Cl)N=C2C=C1Br	W16601
CC(=O)C1=CC(Br)=C(C(F)(F)F)N=C1	W16617
COC(=O)[C@](C)(N)C1=CC(F)=CC(F)=C1	W16604
NC1=C2C(=CC(F)=C1)CC1=C2C=CC(F)=C1	W16432
COC1=CC(F)=C2C(=O)CCC2=C1	W16444
CCC1=C(F)C(C(=O)O)=NN1	W16516
CCOC(=O)C1=C(C2=CC=C(Cl)C=C2)N=C(C(F)(F)F)N1	W16457
O=C(O)C1=C2C=CC(F)=CN2N=C1	W16459
FC1=CC2=C(Br)C=NN2C=C1	W16461
OB(O)C1=C(F)C=C(OC(F)F)C=C1	W16611
C[C@H](C1=CC=C(CC(=O)O)C=C1)C(F)(F)F	W16536
CCOC(=O)C1=C2C(Br)=CC(F)=CN2N=C1	W16543
Cl.FCCOC1CNC1	W16568
FC1=CC(Br)=C(OC(F)F)C(Br)=C1	W16577
COC1=CC(OC)=C(F)C(C(=O)O)=C1	W16586
OC1=CC=C(CCF)C=C1	W16630
C[C@H](O)C1=C(Br)C=CC(C(F)(F)F)=C1	W16638
COC1=CC(CC2=C(N)N=C(N)N=C2)=C2C=C[C@H](C3CC3)OC2=C1OC	W16646
CCCNC[C@@]1(O)[C@@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)NC[C@@H](C)C[C@](C)(O)[C@@H](O[C@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3O)[C@@H]2C)C[C@]1(C)OC	43299
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1	43308
BrC1=C2CCCNC2=CN=C1	60167
CS(=O)(=O)C1=CC(Br)=C(O)C=C1	F20703
C[C@@]1(O)CC2=C(CO1)C(=O)C1=C(C(=O)O)C(O)=C(O)C=C1O2	F20713
BrCC1=CC(OCC2=CC(OCC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C3)=CC(OCC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C3)=C2)=CC(OCC2=CC(OCC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C3)=CC(OCC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C3)=C2)=C1	F20844
CNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.CNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CCN(CC(=O)[O-])CC(=O)O.[Gd+3]	F20672
C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C	F20674
C=C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1	F20732
CN1C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2.CN1C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2.O.O=S(=O)(O)O	98335
O=S(=O)([O-])N[C@@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O.[Na+]	F20756
NC(=O)C1=C[N+]([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)=CC=C1.[Cl-]	F20757
NC(=O)C1=C[N+]([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)=CC=C1.[Cl-]	F20758
COC1=CC2=C(C=C1)[C@@H](N)CCC2.Cl	Y11202
CC1=CC2=C(C=C1)[C@@H](N)CO2.Cl	Y11203
CO[C@@H](C)[C@H](N)C(=O)O	F20773
N#CCCC=O	F20778
CC1=C2C(C#N)=CNC2=C(NS(=O)(=O)C2=CC(C#N)=CC=C2)C=C1	F20780
NC(=O)C1=C(NC2=CC=C(C(=O)N3CCOCC3)C=C2)OC(C2=C(Cl)C=CC=C2F)=N1	F20782
Cl.N[C@@H](CO)C1=C(O)C=C(F)C=C1	Y11177
O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(C3=NC=C(C4=NC=CC=N4)C=C3)CC2)C1)C1=CC=CC(C(F)(F)F)=C1	F20787
COC1=CC(/C=C/C(=O)NCCN2C(C)=CC3=C2C=CC=C3)=CC(OC)=C1OC	F20810
COC1=CC(OC)=C(N(C(=O)NC2=C(C)C=CC=C2C)C2=NC=NC(NC3=CC=C(N4CCN(C)CC4)C=C3)=C2)C=C1	F20815
CC(=O)C1=CC(Cl)=C(C)C=C1	F20825
CC(C)(C)[C@H]1CC[C@H](N(CC2=CC=C(C(=O)NCCC(=O)O)C=C2)C(=O)NC2=CC=C(OC(F)(F)F)C=C2)CC1	F20831
N[C@@H](CO)C1=CC=C(OC2CC2)C=C1	Y11230
Cl.Cl.N[C@@H](CC1=CC=C(F)N=C1F)C(=O)O	Y11236
Cl.Cl.NC1=C(C[C@H](N)C(=O)O)C=CC(F)=C1	Y11237
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1	Y11213
COC1=C([C@@H]2CCCN2)C=CC=C1	Y11218
C[C@H](O)[C@H](N)C1=CC=CC=C1.Cl	Y11162
FC(F)(F)OC1=CC=C([C@@H]2CCCN2)C=C1	Y11186
C=CC[C@H]1CCCN1.Cl	Y11188
Cl.N[C@@H](C(=O)O)C1=C(Br)C=C(F)C=C1	Y11189
CCSC1=CC=C([C@@H](N)CO)C=C1	Y11192
Cl.Cl.NC1=CC=CC([C@@H]2CCCN2)=C1	Y11196
Cl.NC[C@@H](C(=O)O)C1=CC=C(Br)C=C1	Y11197
Cl.N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)(F)F	Y11224
Cl.N[C@@H](C(=O)O)C1=C(Br)C=C(F)C=C1	Y11225
Cl.N[C@@H](C(=O)O)C1=C(O)C=CC=C1	Y11226
Cl.FC1=CC=C([C@@H]2COCCN2)C=C1	Y11243
Cl.N[C@@H](C(=O)O)C1=CC=C(C(=O)O)C=C1	Y11244
FC1=CN=C([C@@H]2CCCN2)C=C1	Y11251
COC1=CC2=C(C=C1)[C@@H](N)CCC2.Cl	Y11255
COC1=C(OC)C=C(CCNC[C@H](O)COC2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)C=C1	Y11264
CN1CCN[C@@H](C2=CC=CC=C2)C1=O.Cl	Y11276
CC1=C2C=CC=CN2C(C#N)=N1	Y11277
BrCC1=CC=C(C2=NC3=C(C=CC=C3)S2)C=C1	Y11289
CS(=O)(=O)C1=C(C(=O)O)C=C(Br)C=C1	Y11338
CC1=CC=CC2=C1C(=O)C1=C(O2)C(CC(=O)O)=CC=C1	Y11291
CNC(=O)C1=CN(C)C(=O)C(C)=C1O	Y11330
CCOC(=O)C1=NC(C)=C2C=CC=CN12	Y11377
N#CC1=C2C=CC=CN2C=N1	Y11384
CN1CCN(C(=O)OC(C)(C)C)[C@@H](C2=CC=CC=C2)C1=O	Y11420
O=C1CCCC2=C(F)C=CC=C2N1	Y11350
Cl.O=C1CCCC2=C(F)C=CC=C2N1	Y11351
COC(=O)[C@H](CC1=C(N)C=C(F)C=C1)NC(=O)OC(C)(C)C	Y11393
CC(C)(C)C1=C(Br)C=C(Cl)C=C1	F53247
COC1=C(Br)C=C(NC(C)=O)C(Br)=C1	Y11409
CC(C)(C)OC(=O)N1[C@H](C2=CC=C(OCC3=C(F)C=CC=C3)C=C2)CC[C@@H]1C(N)=O	Y11413
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N	Y11414
COC(=O)C1=CC2=C(C=C1)NC(C=O)=C2	W17225
CC1(C)C2=NC(C3=CC=C(F)C=C3)=C(NC3=CC=C(Cl)C=C3)N2CCN1C(=O)CN	F53308
CCOC(=O)C1(C2=CC=C(C3=CC=C(C4=NN(C)C(N)=C4)C=C3)C=C2)CC1	F53273
CC1=CC2=C(C(C)=C1)C(C)(C)CC(=O)O2	W17361
CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]5CC[C@@]43C)[C@H]2C1	43591
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O	43602
CCC1=C(N(C)C2=NC(C3=CC=C(F)C=C3)=C(C#N)S2)N2C=C(N3CCN(CC(=O)N4CC(O)C4)CC3)C=C(C)C2=N1	43748
N#CC1=C(Br)C=C(O)C=C1Br	97435
NC1=CC(Cl)=CC(F)=C1[N+](=O)[O-]	97457
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)[C@@H](O)[C@@]34O[C@H](C(C)(C)O)[C@@H](C[C@@H](C)[C@@H]3[C@@]12C)O4	43325
CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)C1=CC=CC=C1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)C1=CC=CC=C1)C2.O=S(=O)(O)O	43373
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C.Cl	43386
COC1=CC2=C(C=C1O)[C@H](C1=CC(OC)=C(O)C=C1)[C@@H](C)[C@H](C)C2	43415
CC(C)=CCC1=C(C2=C3OC(C)(C)C=CC3=C(O)C=C2)OC2=C(C1=O)C(O)=CC(O)=C2	43469
CC(C)(O)/C=C/C(=O)C(C)(O)[C@@H]1[C@@H](O)C[C@]2(C)C3CC=C4[C@H](C[C@@H](O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@@]12C	43480
COC1=C(O)C=C(C2=CC(=O)C3=C(C=C(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)C=C3O)O2)C=C1	43524
O=C1C=CC=C2[C@@H]3C[C@H](CN12)[C@@H]1CCCCN1C3	43540
C[C@H]1O[C@H](O[C@@H]2C(=O)C3=C(C=C(O)C=C3O)O[C@H]2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O	43567
O=C(OC[C@@H]1O[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	43587
C/C=C1\C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C	43641
CS(=O)(=O)C1=CC=C(C2=CN=C(NCC3=CC=CO3)N3C=NN=C23)C=C1	43720
CN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](C)(N)C6=CC=C(F)C=C6)C=N5)CC4)C3=C2)C=N1	43722
CC1=CC=C(C2=NC(N)=NC3=C2N=NN3CC2=NC(CO[C@H]3CCOC3)=CC=C2)O1	43724
COC(=O)C1=CC2=C(C=CC(B(O)O)=C2)N1	W16775
COC(=O)CCCCCCO	W16829
C[C@]1(C(=O)O)CCN(C(=O)OCC2=CC=CC=C2)C1	W16834
C[C@]1(C(=O)O)CCN(C(=O)OCC2=CC=CC=C2)C1	W16836
CC1(C)CNC[C@@H]1O	W16893
CCOC(=O)C1=C(C2=CC=C(C(F)(F)F)C=C2)N=C(Br)S1	W16944
O=C1NCC2=NC=C(Cl)C=C12	W16979
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1)OC1CCCCC1	W17072
N=C1NC2=C(S1)C(Cl)=C(Cl)C=C2	W17202
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)C[C@H]1C(=O)O	W17672
C[C@H]1OCCN[C@@H]1C(=O)O.Cl	W17674
O=C1NC(=S)S/C1=C/C1=CC=C(I)C=C1	W17712
OC1=CC=C2N=C(Cl)N=CC2=C1	W17778
O=C(O)C1=CC=CC(C(=O)C(F)(F)F)=C1	W17816
OC1=C(C23CC4CC(CC(C4)C2)C3)C=C2C=C(Br)C=CC2=C1	W17817
O=C(O)C1=CNC2=C1C=C(I)C=C2	W17882
COC(=O)C1=CNC2=C1C=C(I)C=C2	W17883
Cl.NCC1=NC=C(Cl)S1	W17904
CC1=CSC2=C1C=CN=C2Cl	W17905
Cl.O=C(O)[C@H]1CC2=NC=CN2C1	W17909
CCOC1=CC=C2N=CC=C(Cl)C2=N1	W17911
NC1=CC(Br)=CC2=CC=CC=C12	W17912
O=C1OCCC2=C1SC(Br)=C2	W18182
COC(=O)C1=CC([N+](=O)[O-])=C(C(F)(F)F)C=C1N	W18183
BrC1=CC2=C(C=C1)NC1=C2C=CC=N1	W18367
OCCC1=C(Cl)C=NN=C1O	W18368
N=C1NC2=C(C=CC(Br)=N2)S1	W18083
O=C(/C=C/C1=CC=CC=C1)C1=NC=CC=C1	W18196
CN1C(C(=O)O)=CC2=C1C=C(F)C=C2	W18204
O=C(O)C1=CC(C(=O)O)=C2C=C(Br)C=CC2=N1	W18207
CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1	W18229
N#CC1=CC(NC(=O)C(=O)O)=C(Cl)C(NC(=O)C(=O)O)=C1	W18254
COC(=O)CC(O)(CC(=O)OC)C(=O)OC(C)(C)C	W18268
O=C(O)COC1=NC=CC(Cl)=C1	W18283
O=C1CCCC2(CCC2)C1	W18293
CC(C)(C)OC(=O)C1=CSC(Br)=N1	W18302
O=C(O)C1=C(C(F)(F)F)N=C(Cl)S1	W18373
CC(C)(C)OC(=O)N[C@@H]1C=C(I)C(=O)CC1	W18536
COC(=O)C1=CC(Br)=CN(CC2=CC(C(F)(F)F)=CC=C2)C1=O	W18537
COC1=C(F)C(CO)=CC=C1	W18563
CCCSC1=NC(Cl)=CC(Cl)=N1	W18412
CO[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C	W18628
CC1=NC(Cl)=C(I)C(Cl)=N1	W18464
CC1=C(S(=O)(=O)Cl)C=C(Cl)C(F)=C1	W18475
CC(C)(O)C1=NC(N)=CC=N1	W18498
COC(=O)C1=CC(F)=C(O)N=C1O	W18691
COC(=O)[C@@H]1CNCC(F)(F)C1	W18541
CC1(C)OB(C2=CC(OC(F)(F)F)=C(N)N=C2)OC1(C)C	W18544
COC(=O)C1=NN2C=C(C)N=C2C=C1	W18632
CC1(C=O)CN(C(=O)OC(C)(C)C)C1	W18636
O=C1CCC2=NC=C(Br)C=C12	W18637
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)O)O1	W18638
CCC(=O)N1CC[C@H](NC2=C3CN(C4=CC(C(F)(F)F)=C(OC)N=C4)CCC3=NC=N2)C1	43684
CN1C[C@H](O)[C@@H](F)C1	97557
O=C1C[C@H](CI)N1	W18669
C[C@H](NC(=O)C1=C(OC2=CC=CC(C(F)(F)F)=C2)N(C)N=C1C(F)F)C1=CC=C(C(=O)O)C=C1	43725
COC1=CC=C(CC(C)(C)NC[C@H](O)C2=CC(O)=CC3=C2OCC(=O)N3)C=C1.Cl	43728
CCCOC1=C(Cl)C=C(C2=NC(C3=CC4=C(C=C3)OC(C(N)(CO)CO)=C4)=NO2)C=C1	43729
NC1=C2C(F)=CC=CC2=CC=N1	K10198
CC(C)OC1=C(Cl)C=C(C2=NC(C3=C4C=CN(CCCC(=O)O)C4=CC=C3)=NO2)C=N1	43730
CC1=C(O)C=CC(C2=CC=NC3=CC(O)=CC=C32)=C1	43731
OB(O)C1=CC=C(CN2CC[C@H](O)C2)C=C1	98099
CC(C)(O)C1=COC(S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC3=C2CCC3)=C1.[Na+]	43696
C[C@@H](CO)OC1=CC=CC=C1	98059
OC1=C(Br)C2=CN=CC=C2C=C1	97593
CN1C=C(F)C(C(=O)O)=N1	97594
O=C1CCC2(C1)OCCO2	97648
CN1N=C(Br)C=C1Br	97704
CC[C@H](NC1=CC(C)=NC2=C(C3=C(C)C=C(OC)C=C3)C(C)=NN12)C1=NC(C)=NO1	43741
C[C@@H](NC(=O)C(C)(F)F)[C@@H](OC1=CC2=C(C=C1)N(C1=CC(C(=O)N[C@H]3CCOC3)=CC=C1)N=C2)C1=CC2=C(C=C1)OCCO2	43746
COC(=O)C1=CC2=C(C=C1)CC[C@@H]2N.Cl	Y11444
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CC2.Cl	Y11445
Cl.N[C@H]1CCC2=CC(F)=CC(F)=C21	Y11446
NC1=CN=NC2=CC=CC=C12	97748
O=C(O)C1=CN2N=CC=C2C=C1	97818
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)C1	97819
O=C(O)CNC(=O)C1=C(O)C=C(CCC2=CC=CC=C2)N2N=CN=C12	43689
O=C1CC[C@@H]2C[C@H]12	97892
CC(C)(C)OC(=O)N1CC[C@H](C2=CC=CC=C2)[C@H]1C(=O)O	97932
C1=CC=C(NC2=NNC3=C2C=CC=C3)C=C1	97987
C[C@H](N)C1=CC2=C(C=C1)N(C(=O)C1CCOCC1)CC2	97995
O=CCCCCNC(=O)OCC1=CC=CC=C1	97996
O=C1CCC[C@H]2CNCCN12	98001
O=C(NC1(C2=CC=CC=C2)CC1)C1=C2C=CC(Br)=CC2=NC(C2=CC(C(F)(F)F)=CC=C2)=C1CN1CCC(N2CCCCC2)CC1	98021
CC1=CC=CC(C2=CC=NC3=C(C(N)=O)C=NN23)=C1	43733
CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1.CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1.O=C(O)[C@@H](O)[C@H](O)C(=O)O	43736
CN(CCN1CCC(OC(=O)NC2=C(C3=CC=CC=C3)C=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(N)=O)CC2)C=C1	43740
NC1=CN=C2C(=C1)C=CC=C2OC(F)(F)F	K10170
O=C(O)C1=CN=C2C(=C1)C=CC=C2OC(F)(F)F	K10185
CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O.CS(=O)(=O)O	H11715
Cl.N[C@@H](C(=O)O)C1=C(F)C=C(F)C=C1	Y11437
COC1=CC([C@@H]2CCCN2)=CC=C1.Cl	Y11441
N[C@H](C1=CC=CC=C1)C1CCC1	Y11451
ClCC1(CBr)COC1	H11830
NCCC(=O)N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2	H11945
Cl.N[C@@H](CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)O	Y11479
Cl.N[C@@H](C(=O)O)C1=C(O)C=CC(F)=C1	Y11480
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(Br)C=C(F)C=C1	Y11486
CC1=C([C@@H]2CCCN2)C=C(F)C=C1	Y11489
FC1=CC(Cl)=C([C@@H]2CCCN2)C=C1	Y11492
Cl.ClC1=CC([C@@H]2CCCN2)=CC=C1	Y11574
CC1=CC=C([C@@H]2COCCN2)C=C1.Cl	Y11579
CC1=CC=CN=C1[C@@H]1CCCN1.Cl.Cl	Y11426
CN[C@@H](C)C1=CC(C)=CC=C1.Cl	Y11427
O=C1CCCC2=CC(C(F)(F)F)=C(Cl)C=C12	Y11431
COC1=CC(F)=C2C(=O)CCCC2=C1	Y11432
C=CC[C@H]1CCCCN1.Cl	Y11433
C[C@H](N)C1=CC(F)=CN=C1.Cl.Cl	Y11455
FC1=CN=C([C@@H]2CCCN2)C=C1	Y11457
COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1.Cl.Cl	Y11460
Cl.Cl.N[C@H](C1=CC=CC(F)=N1)C1CC1	Y11464
Cl.N[C@@H](CC1=CC(O)=CC=C1)C(=O)O	Y11468
COC(=O)[C@@H](N)CC1=C(OC)C=CC=C1.Cl	Y11470
COC(=O)[C@@H](N)CC1=CN=C(N)C=C1.Cl.Cl	Y11495
CC1=C([C@@H](NC(=O)OC(C)(C)C)C(=O)O)C=CC(F)=C1	Y11497
Cl.Cl.FC1=CN=CC([C@@H]2CCCN2)=C1	Y11501
N[C@@H](CO)C1=CC(Br)=CC(F)=C1	Y11502
CC[C@H](N)C1=CSC=N1.Cl.Cl	Y11505
C[C@H](N)C1=C2N=CC=CC2=CC=C1.Cl.Cl	Y11516
N[C@H](C1=CC=CC2=CC=CC=C21)C(F)(F)F	Y11517
Cl.Cl.NCC1=CC=CC(C(=O)O)=N1	Y11519
C[C@H](N)C1=CC=C(Br)O1.Cl	Y11523
Cl.N[C@H]1CCCC2=C1C=CC(Br)=C2	Y11524
COC(=O)C1=CC2=C(C=C1)OC[C@@H]2N.Cl	Y11525
COC(=O)C1=CC2=C(C=C1)OC[C@@H]2N.Cl	Y11526
N[C@H]1CCOC2=C1C=CC(Cl)=C2	Y11532
COC(=O)C1=CC([C@H]2CCNC2)=CC=C1.Cl	Y11538
N[C@H]1CCCC2=C1C=CC(Br)=C2	Y11547
CCOC(=O)C1=CC2=C(CCCC2)OC1=O	Y11642
COC1=C(F)C([C@H](C)N)=CC=C1	Y11549
N[C@@H](CO)C1=C(F)C=C(F)C=C1	Y11550
N[C@H]1CCOC2=C1C=CC(Cl)=C2	Y11552
ClC1=CC([C@@H]2CCCN2)=CC=C1	Y11557
CC1=CC(C)=CC(C2=NC=CC3=CC=C(C(C)C)C=C32)=C1	Y11559
FC(F)(F)C1=CC=C([C@@H]2CCCN2)C=C1	Y11560
COC1=CC([C@@H]2CCCN2)=CC=C1	Y11561
Cl.N[C@H]1CCOC2=C1C=C(Cl)C=C2	Y11563
COC1=NC=C(F)C=C1[C@@H]1CCCN1.Cl.Cl	Y11565
Cl.Cl.FC1=CN=C(Cl)C([C@@H]2CCCN2)=C1	Y11566
CC1=CC=CC(Cl)=C1[C@H](C)N	Y11567
N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1	Y11570
C[C@H](N)C1=CC=CC(F)=C1F	Y11583
O=CC1=NN=C(Cl)S1	Y11589
OCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	Y11596
Cl.N[C@@H](CC(=O)O)C1CCCC1	Y11598
N[C@@H](CO)C1=CC2=CC=CC=C2C=C1	Y11604
CC1=C([C@@H](N)C(F)(F)F)C=CC=C1.Cl	Y11613
OC1=C2C=C(C(F)(F)F)C=CC2=CC=C1	Y11617
CC1=CC(=O)N(C2=CC=C([N+](=O)[O-])C=C2)N1	Y11619
C1=CC([C@@H]2CCCN2)=CO1	Y11621
N[C@H](C1=CC=CC2=CC=CC=C21)C1CC1	Y11627
COC(=O)C1=CC=CC2=C1CCCC2=O	Y11635
CC[C@H]1CCCN1.Cl	Y11636
COC(=O)C1=CC(CC(C)=O)=CC=C1	Y11649
CN1CCN(C2=CC(C=O)=C([N+](=O)[O-])C=C2)CC1	Y11663
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1	Y11666
CC1=CC(Br)=CC(C(F)F)=N1	98152
COCCCOC1=CC2=C(C=C1OC)C1=CC(=O)C(C(=O)O)=CN1[C@H](C(C)C)C2	F20856
COC1=NOC([C@H](C)N)=C1	98340
O=C1OC(=O)C2=C1C=CC(OC1=CC=C(OC3=CC4=C(C=C3)C(=O)OC4=O)C=C1)=C2	F21357
N[C@@H](C(=O)O)C1=CC=C(C2=CC=CC=C2)C=C1	A50306
CC(C)(C)OC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)OC(C)(C)C	58595
O=[N+]([O-])C1=CC=C(C2=CC=C(CO)C=C2)C=C1	A50699
CCC1=C2N=C(Cl)C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1	A50864
O=C(O)C1=CC=C2C=CC(C(F)(F)F)=NC2=C1	K10206
CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)NC3=O)C=C(Br)C=C21	A50870
NC1=C2N=CN=C2N=CN1COCCO	A50847
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NC(C(C)(C)O)=C1	A50952
OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O.[Cl-]	43761
ClC1=NC(N2CCOCC2)=C2SC(CN3CCN(CC4CC4)CC3)=CC2=N1	A50987
FC1=CC=C(C2=C(Br)C3=C(Cl)N=CN=C3S2)O1	A50990
CC1=CC=C(SC2=C(C3CCNCC3)C=CC=C2)C=C1	F21486
CN1C=NC(C2=C(F)C=C(C3=CCNCC3)C=C2)=N1.Cl	F21496
CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C	F21502
O=C(/C=C/C1=CC(O)=C(O)C=C1)O[C@@H]1C[C@](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)(C(=O)O)C[C@@H](O)[C@H]1O	F21510
C[C@H]1CCOCCN1.Cl	C90344
COC(=O)C1=C(F)C=C(C2CC2)C=C1C	98641
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN	98387
Br.BrCC1=CC=NC2=CC=CC=C12	N12690
CC[C@H](N)C1=CC=C(C(F)(F)F)C=C1	N12899
BrC1=CC=C(C[C@H]2CCCN2)C=C1.Cl	N13053
CC1(C)CCCN1CCN	N13103
Cl.ClC1=C(C2CC2)C=NC=C1	N13247
CCOC(=O)C1=C2C(Cl)=NC=CN2C=N1	N13248
O=[N+]([O-])C1=NC=CN=C1Cl	N13177
C#CCN(C)CCCOC1=C(Cl)C=C(Cl)C=C1.Cl	N13180
O=CC1CC(F)(F)C1	N13208
C[C@H](N)C1=CN=C(C(F)(F)F)C=C1	N13210
Cl.N[C@H]1CCC2=C(Cl)C=CC=C21	N13212
OB(O)C1=CC(OC(F)(F)F)=C(Cl)C=C1	N13218
NC1=CC(Br)=CC(Br)=N1	N13242
CC1=CNC(=O)C(Cl)=N1	N13244
C#CC1=CC=CC(C(=O)OC)=N1	N13245
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CN=C(Cl)C=C1	N13277
CC[N+]1=C(/C=C/C=C\C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)C)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2	N13281
OC12CCC(Br)(CC1)CC2	N13295
Cl.NC12CCC(Br)(CC1)CC2	N13296
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)O)CC1	N13297
CC#CC(=O)N1CC[C@H](N2C(=O)N(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C2N=CN=C3N)C1	N13299
CC1=CC2=C(C=C1)N=C(Cl)C1=NC=C(C)N12	N13313
CN1CC=CC1=O	N13365
CN[C@H]1CCCC2=C1C=CC=C2	N14195
CN[C@H]1CCCC2=C1C=CC=C2	N14196
C[C@H](NCC1=CC=CC=C1)C1=CC=CC2=CC=CC=C21.Cl	N14197
COC1=NC=C(F)C=C1[C@@H]1CCCN1	N14432
Cl.N[C@@H](CC1=CC=C(C2CC2)C=C1)C(=O)O	N14382
OC1=CC=C2C=CC(F)=CC2=C1	N14580
OC1=CC=C2C(Cl)=CC=CC2=C1	N14583
C=C[C@H](N)C1=C(F)C=CC(Br)=C1	N15352
C=C[C@H](N)C1=C(F)C=CC(Br)=C1	N15353
CC1(C)CCC(=O)C2=C1C=CC(Cl)=C2	N15492
C[C@H](O)[C@H](N)C1=CC=CC=C1	N15521
N[C@H]1COC2=CC=CC(Br)=C21	N16517
N[C@H]1COC2=C1C=CC(OC(F)(F)F)=C2	N16531
N[C@H]1COC2=C1C=CC(C(F)(F)F)=C2	N16538
O=C1CCSC2=C(F)C=C(F)C=C12	N16686
COC1=C(Cl)C=C(CNC2=NC(SC)=NC=C2C(=O)O)C=C1	43824
CCN(CC)C(=O)C1=CC=C([C@H](O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C1	98351
COC1=CC=C(CNC2=C(C(=O)NCC3=NC=CC=N3)C=NC(N3CCC[C@@H]3CO)=N2)C=C1	43831
CC(C)OCCOCC1=CC=C(OC[C@@H](O)CN(C=O)C(C)C)C=C1	43845
C[C@@H](C1=CC=CC=C1)N1C=NC=C1C(=O)O	43909
O=[N+]([O-])C1=CN=CN1CCO	44412
COC1=C(OC)C(C[S@](=O)C2=NC3=C(C=CC(OC(F)F)=C3)N2)=[N+]([O-])C=C1	44461
OCCN1CCN(C2=NC3=C(C=CC=C3)SC3=C2C=CC=C3)CC1	44491
BrC1=CC=NO1	A51037
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	A51110
Cl.O=C1C=CC(C2=CC=C(S(=O)(=O)Cl)S2)=NN1	98361
FC(F)(F)C1=NC=CC(CBr)=C1	A51205
COC1=C2NC=CC2=NC(Cl)=N1	A51209
N[C@H]1CCCC[C@@H]1CO	AC1009
CC(C)(C)OC(=O)N1C=CC(B(O)O)=C1	AC1014
CC1=C(S(C)(=O)=O)C=CC=C1B(O)O	AC1061
COC1=CC=C(COC[C@H](O)C(F)(F)F)C=C1	AC1134
CC(C)(C)C1=CC=C(CC(CC2=CC=C(C(C)(C)C)C=C2)(C2=N[C@H](C3=CC=CC=C3)CO2)C2=N[C@H](C3=CC=CC=C3)CO2)C=C1	AC1100
O=C(O)C1=NC=NS1	AC1260
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC(Cl)=C2)C(=O)O	AC1160
NC1=CC2=NC=NN2C=C1	AC1186
CC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(OCCN2CCN(C)CC2)=C1Cl	AC1194
NC1=CC=NN1CC(F)F	AC1200
COC1=CC([N+](=O)[O-])=CC(Cl)=C1F	AC1311
CC1(C)OB(C2=CN(C3CC3)C(=O)C=C2)OC1(C)C	AC1317
C#CC1(N)CCC1	AC1326
C[C@H](N)CF.Cl	AC1331
NCCC1=CC=C(OCC(F)(F)F)C=C1	AC1400
O=C(O)C(F)(F)[C@H](F)C(F)(F)F	AC1476
CC1=CC(C)=C(N)C(C(=O)O)=C1Br	AC1529
O=C(O)[C@@H](C1=CC=CC=C1)C(F)(F)F	AC1708
ClC1=NC2=C(CCC2)S1	AC1573
CC(C)(F)CI	AC1604
CN1C[C@](C)(CCl)C1=O	AC1687
O=C(O)C1=C(C(=O)O)C(Cl)=C(Cl)C(Cl)=C1	AC1713
ClC1=NN=C2CCCCN12	AC1762
O=C(O)[C@@H]1CN(CC2=CC=CC=C2)CCCO1	AC1891
CC1(C)CNC(=O)C2=C1C=C(Br)C=C2	AC2132
O=C1NCC2=C1C=CN=C2Cl	AC1916
C[C@@H]1C(=O)NC2=C1C(Cl)=NC=N2	AC1925
FC1=CC=C2N=NC=C(Cl)C2=C1	AC1929
CC1=CC(NS(=O)(=O)C2=CC(C(F)(F)F)=C(Cl)C=C2)=C(C(=O)C2=NC=NC3=C2C=CN3)N=C1	AC1940
CC1=CNC(C2=CC=CC=C2)=C1	AC1972
O=CC1=NC=C(CO)C=N1	AC2016
O=C1CS(=O)(=O)C2=C1C=C([N+](=O)[O-])C=C2	AC2087
NC1=C2C=C(Cl)C=CC2=NN=C1	AC2152
O=C1C=C(O)C(=O)C2=C1C=CC(F)=C2	AC2177
COC(=O)C(C)(C)C1=CC(Br)=NC=C1	AC2371
COC(=O)[C@@H]1C[C@@H](O)CCN1.Cl	AC2343
COC(=O)[C@H](CC1=CNC2=C1C=C(OC)C=C2)NC(=O)OC(C)(C)C	AC2353
CCOC(=O)C1C2CNCC21	AC2310
CCOC(=O)C1=C(Cl)C=CC2=CN=CN21	AC2326
COC(=O)/C=C/C1=CC=CC(S(=O)(=O)Cl)=C1	AC2345
COC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1[N+](=O)[O-]	AC2436
COC(=O)C1=CC=C(C2=NC3=C(C=CN=C3)O2)C=C1	AC2430
C1COC2CCNCC2C1	AC2525
CC(C)(C)OC(=O)NCC1=NC(N)=NC=C1	AC2555
CC(C)(C)OC(=O)N1C[C@@H]2CCNC[C@@H]21	AC2561
C[C@H](C1=CC=CC=C1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21	AC2562
C[C@@H](C1=CC=CC=C1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21	AC2564
CC(C)(C)OC(=O)NC1(C2=CC=C(Br)C=C2)CN(C(=O)OC(C)(C)C)C1	AC2599
CC(C)(C)OC(=O)N1CCOC2=C(C=C(C=O)C(O)=C2)C1	AC2619
CC1=CC=C(S(=O)(=O)OC(F)(F)F)C=C1	AC2629
FC(F)(F)C1=CC=C([C@@H]2COCCN2)C=C1	D96494
CCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y11676
Cl.N[C@@H](CC(=O)O)C1=C(Br)C=CC(F)=C1	Y11677
CC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y11678
CS(=O)(=O)C1=CC([C@@H](N)CO)=CC=C1.Cl	Y11679
CC1=CC=CC(Cl)=C1CN	Y11683
CC1=CC=CC2=C1OCC[C@@H]2N	Y11839
CC1=CC=CC2=C1OCC[C@@H]2N	Y11840
CC1=CC(Br)=C2C=CNC2=C1	C10136
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(O)C=CC=C1	Y11807
COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y11812
Cl.N[C@@H](CC1=C(O)C=C(O)C=C1)C(=O)O	Y11694
COC1=CC([C@@H]2CCCCN2)=C(OC)C=C1	Y11705
Cl.N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1	Y11708
O=C1CCC2=C(F)C=CC=C2C1	Y11718
CC1=C([C@@H](N)CC(=O)O)C=C(F)C=C1.Cl	Y11740
Cl.N[C@@H](CC(=O)O)C1=C(Br)C=CC(F)=C1	Y11741
CCCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12007
COC(=O)[C@@H](N)CC1=C(F)C=C(Br)C=C1.Cl	Y11934
COC(=O)[C@@H](N)CC1=C(O)C=CC(F)=C1.Cl	Y11935
COC(=O)[C@@H](N)CC1=C(O)C=CC(F)=C1.Cl	Y11936
C[C@H](N)C1=C(O)C=C(F)C=C1.Cl	Y11759
C[C@H](N)C1=C(O)C=C(F)C=C1.Cl	Y11760
C[C@H](N)C1=CC(F)=CC(C(F)(F)F)=C1	Y11766
C[C@H](N)C1=CC(F)=CC(C(F)(F)F)=C1	Y11767
COC1=C2CCC[C@H](N)C2=CC=C1	Y11780
COC1=CC2=C(C=C1)CCC[C@@H]2N	Y11783
COC1=C(OC)C=C2C(=C1)CC[C@@H]2N	Y11787
BrC1=CC=C([C@@H]2CCCCN2)C=C1	Y11796
CC1=CC=CC2=C1CCC[C@@H]2N	Y11818
COC(=O)C[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y11907
COC(=O)C[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y11908
COC(=O)C[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y11909
COC(=O)C[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y11910
CC1=C([C@H](C)N)C=C(F)C=C1	Y11917
CCCC[C@H](N)C1=C(F)C=CC(Br)=C1	Y12005
N[C@H]1CCOC2=C(Cl)C(Cl)=CC=C21	Y11853
N[C@H]1CCOC2=C(Cl)C(Cl)=CC=C21	Y11854
N[C@H]1CCOC2=C(Cl)C=C(Cl)C=C21	Y11856
N[C@H]1CCOC2=C(Cl)C=C(Cl)C=C21	Y11857
CC1=C([C@@H](N)C(F)(F)F)C=CC=C1	Y11861
CC1=C([C@@H](N)C(F)(F)F)C=CC=C1	Y11862
N[C@H](C1=CC2=CC=CC=C2C=C1)C(F)(F)F	Y11871
COC1=CC(C)=C([C@@H](N)C(F)(F)F)C=C1	Y11874
COC1=CC(C)=C([C@@H](N)C(F)(F)F)C=C1	Y11875
CC1=C([C@@H](N)C(F)(F)F)C=CC(Cl)=C1	Y11877
CC1=C([C@@H](N)C(F)(F)F)C=CC(Cl)=C1	Y11878
FC1=CC(Cl)=C([C@@H]2CCCN2)C=C1	Y11889
FC1=C([C@@H]2CCCN2)C=C(Br)C=C1	Y11892
FC1=C([C@@H]2CCCN2)C=C(Br)C=C1	Y11897
Cl.N[C@@H](C(=O)O)C1=CC=CC(Br)=C1O	Y11899
COC(=O)C[C@H](N)C1=C(C)C=CC(C)=C1.Cl	Y11902
COC(=O)C[C@H](N)C1=C(C)C=CC(C)=C1.Cl	Y11903
CC1=C([C@H](C)N)C=C(F)C=C1	Y11918
COC1=CC(F)=C([C@@H]2CCCN2)C=C1	Y11926
COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1.Cl	Y11939
COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1.Cl	Y11940
CC1=CC([C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C(C)C=C1	Y11946
CCCOC1=C([C@@H](N)C(C)C)C=CC=C1	Y11952
CCCOC1=C([C@@H](N)C(C)C)C=CC=C1	Y11953
CC(C)[C@H](N)C1=C(F)C=CC(Br)=C1	Y11954
CC(C)[C@H](N)C1=C(F)C=CC(Br)=C1	Y11955
CC(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y11957
N[C@H](C1=C(F)C=CC(Br)=C1)C(F)(F)F	Y11962
N[C@H](C1=C(F)C=CC(Br)=C1)C(F)(F)F	Y11963
CCCOC1=C([C@@H](N)CC)C=CC=C1	Y11970
CCCOC1=C([C@@H](N)CC)C=CC=C1	Y11971
CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y11977
CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y11978
CCCOC1=C([C@@H](N)CCC)C=CC=C1	Y11988
CCCOC1=C([C@@H](N)CCC)C=CC=C1	Y11989
CCC[C@H](N)C1=C(F)C=CC(Br)=C1	Y11990
CCC[C@H](N)C1=C(F)C=CC(Br)=C1	Y11991
CCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y11993
Cl.N#CC1=C([C@@H](N)CO)C=CC=C1	Y12065
Cl.N#CC1=C([C@@H](N)CO)C=CC=C1	Y12066
CCCC[C@H](N)C1=C(OCCC)C=CC=C1	Y12002
CCCC[C@H](N)C1=C(OCCC)C=CC=C1	Y12003
CCCC[C@H](N)C1=C(F)C=CC(Br)=C1	Y12004
CC1=CC([C@@H](N)C2CC2)=C(C)C=C1	Y12012
CC1=CC([C@@H](N)C2CC2)=C(C)C=C1	Y12013
CCCOC1=C([C@@H](N)C2CC2)C=CC=C1	Y12014
N[C@H]1CCOC2=C1C=C(C(F)(F)F)C=C2	Y12022
O=C1CCCC2=C(Cl)C=C(Cl)C=C12	Y12023
CC(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12034
CCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12042
CCCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12044
CC[C@H](N)C1=C(C)C=CC(F)=C1	Y12137
CC[C@H](N)C1=C(C)C=CC(F)=C1	Y12138
CCC[C@H](N)C1=C(C)C=CC(F)=C1	Y12139
CCC[C@H](N)C1=C(C)C=CC(F)=C1	Y12140
CCCC[C@H](N)C1=C(C)C=CC(F)=C1	Y12141
CCCC[C@H](N)C1=C(C)C=CC(F)=C1	Y12142
CC(C)[C@H](N)C1=C(Br)C=CC=C1F	Y12323
CC(C)[C@H](N)C1=C(Br)C=CC=C1F	Y12324
CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1.Cl	Y12075
CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1.Cl	Y12076
COC(=O)[C@@H](N)CC1=CC(C)=C(Br)C=C1.Cl	Y12087
COC(=O)[C@@H](N)CC1=C(F)C=C(C)C=C1.Cl	Y12088
COC(=O)[C@@H](N)CC1=C(F)C=C(C)C=C1.Cl	Y12089
C[C@H](N)C1=CN=C(Cl)C=C1	Y12111
COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1.Cl.Cl	Y12125
COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1.Cl.Cl	Y12126
CC1=C([C@@H](N)C(C)C)C=C(F)C=C1	Y12143
CC1=C([C@@H](N)C(C)C)C=C(F)C=C1	Y12144
CC1=C([C@@H](N)C2CC2)C=C(F)C=C1	Y12145
CC1=C([C@@H](N)C2CC2)C=C(F)C=C1	Y12146
CC1=C([C@@H](N)CO)C=C(F)C=C1	Y12148
CC1=C([C@@H](N)CO)C=C(F)C=C1	Y12149
CC1=C([C@@H]2CCCCN2)C=C(F)C=C1	Y12150
CC1=C([C@@H]2CCCCN2)C=C(F)C=C1	Y12151
N[C@@H](CO)C1=C(Cl)C=CC(F)=C1	Y12158
COC(=O)C[C@H](N)C1=C(Cl)C=CC(F)=C1.Cl	Y12162
COC(=O)C[C@H](N)C1=C(Cl)C=CC(F)=C1.Cl	Y12163
COC1=NC([C@H](C)N)=CC=C1	Y12185
CC[C@H](N)C1=CC=CC(OC)=N1	Y12187
CN[C@@H](C)C1=CC=CC(Cl)=C1	Y12191
C[C@H](N)C1=C(C#N)C=CC=C1.Cl	Y12202
CCCOC1=C([C@H](C)N)C=CC=C1	Y12203
CCCOC1=C([C@H](C)N)C=CC=C1	Y12204
C[C@H](N)C1=C2N=CC=CC2=CC=C1	Y12205
CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y12213
Cl.Cl.NC1=C(C[C@H](N)C(=O)O)C=CC=C1	Y12214
COC(=O)[C@@H](N)CC1=CN=CC(C)=C1.Cl.Cl	Y12224
COC(=O)[C@@H](N)CC1=CN=CC(C)=C1.Cl.Cl	Y12225
C[C@H](N)C1=NC=C(Cl)C=C1	Y12227
CC1=C(F)C=C2C(=C1)OCC[C@@H]2N	Y12341
N[C@H]1CCOC2=CC(Cl)=C(F)C=C21	Y12342
N[C@H]1CCOC2=CC(Cl)=C(F)C=C21	Y12343
N[C@H]1CCOC2=C(Cl)C=C(F)C=C21	Y12344
N[C@H]1CCOC2=C(Cl)C=C(F)C=C21	Y12345
N[C@H]1CCOC2=C(Cl)C=C(C(F)(F)F)C=C21	Y12346
COC1=CC(Cl)=C([C@H](C)N)C=C1	Y12288
C[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12289
C[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12290
CC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12293
CC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12294
CCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12295
CCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12296
CC(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12297
CC(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12298
COC1=CC(Cl)=C([C@@H](N)CO)C=C1	Y12299
COC1=CC(Cl)=C([C@@H](N)CO)C=C1	Y12300
CS(=O)(=O)C1=CC([C@@H](N)CO)=CC=C1.Cl	Y12301
Cl.N#CC1=C(F)C=CC([C@@H]2CCCN2)=C1	Y12308
Cl.O=C(O)C1=C(F)C=CC([C@@H]2CCCN2)=C1	Y12309
Cl.O=C(O)C1=C(F)C=CC([C@@H]2CCCN2)=C1	Y12310
CC[C@H](N)C1=C(Br)C=CC=C1F	Y12311
C=C[C@H](N)C1=C(C)C=CC(F)=C1	Y12317
C=C[C@H](N)C1=C(C)C=CC(F)=C1	Y12318
CCC[C@H](N)C1=C(Br)C=CC=C1F	Y12319
N[C@H]1CCOC2=C(F)C=C(Br)C=C21	Y12328
CC1=CC(F)=CC2=C1OCC[C@@H]2N	Y12336
CC1=CC(F)=CC2=C1OCC[C@@H]2N	Y12337
COC1=NC=C(F)C=C1[C@H](C)N	Y12431
N[C@H]1CCOC2=CC(C(F)(F)F)=C(F)C=C21	Y12338
N[C@H]1CCOC2=CC(C(F)(F)F)=C(F)C=C21	Y12339
CC1=C(F)C=C2C(=C1)OCC[C@@H]2N	Y12340
N[C@H]1CCOC2=C(Cl)C=C(C(F)(F)F)C=C21	Y12347
CC1=CC(Cl)=C2OCC[C@H](N)C2=C1	Y12348
CC1=CC(Cl)=C2OCC[C@H](N)C2=C1	Y12349
C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12533
CCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12548
CCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12549
CC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12543
CC1=C(F)C=CC2=C1OCC[C@@H]2N	Y12359
CC1=C(F)C=CC2=C1OCC[C@@H]2N	Y12360
CC1=CC=C2C(=C1F)OCC[C@@H]2N	Y12369
CC1=CC=C2C(=C1F)OCC[C@@H]2N	Y12370
N[C@H]1CCOC2=C(Br)C(F)=CC=C21	Y12371
N[C@H]1CCOC2=C(Br)C(F)=CC=C21	Y12372
CC1=CC(Cl)=CC2=C1CCC[C@@H]2N	Y12375
CC1=CC(Cl)=CC2=C1CCC[C@@H]2N	Y12377
CC1=C(C)C2=C(C=C1)[C@@H](N)CCC2	Y12378
CC1=C(C)C2=C(C=C1)[C@@H](N)CCC2	Y12379
N[C@H]1CCCC2=C1C=C(C(F)(F)F)C=C2	Y12390
COC1=CC(F)=C2CCCC(=O)C2=C1F	Y12417
CC1=C([C@@H]2CCCCN2)C=C(F)C=C1.Cl	Y12456
CC1=C([C@@H]2CCCCN2)C=C(F)C=C1.Cl	Y12457
Cl.N[C@@H](CC(=O)O)C1=C(F)C=CC(Br)=C1	Y12461
Cl.N[C@@H](CC(=O)O)C1=C(F)C=CC(Br)=C1	Y12464
Cl.N[C@H](C1=CC=CC(Cl)=C1)C(F)(F)F	Y12470
COC(=O)[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y12476
COC(=O)[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y12477
COC(=O)C[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y12478
C[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12486
C[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12487
CC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12488
CC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12489
CCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12490
CC1=CC([C@@H](N)CC(=O)O)=C(C)C=C1.Cl	Y12495
CC1=CC([C@@H](N)CC(=O)O)=C(C)C=C1.Cl	Y12496
Cl.N[C@@H](C(=O)O)C1=C(Br)C=CC(F)=C1	Y12497
Cl.N[C@@H](CC(=O)O)C1=C(Br)C=CC(F)=C1	Y12498
CC1=C([C@@H](N)C(=O)O)C=C(F)C=C1.Cl	Y12499
CC1=C([C@@H](N)C(=O)O)C=C(F)C=C1.Cl	Y12500
CC1=C([C@@H](N)CC(=O)O)C=C(F)C=C1.Cl	Y12501
CC1=C([C@@H](N)CC(=O)O)C=C(F)C=C1.Cl	Y12502
CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y12503
CC1=C(F)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y12504
COC(=O)[C@H](N)C1=C(C)C=CC(C)=C1.Cl	Y12507
COC(=O)[C@H](N)C1=C(C)C=CC(C)=C1.Cl	Y12508
COC(=O)[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y12509
COC(=O)[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y12510
N[C@H]1CCOC2=C(Cl)C=C(Br)C=C21	Y12518
Cl.N[C@@H](C(=O)O)C1=C(Cl)C=CC(F)=C1	Y12527
Cl.N[C@@H](C(=O)O)C1=C(Cl)C=CC(F)=C1	Y12528
C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12532
CC(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12554
CC(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12555
CC1=C(Br)C=CC([C@@H](N)C(=O)O)=C1.Cl	Y12569
CC1=C(Br)C=CC([C@@H](N)C(=O)O)=C1.Cl	Y12570
CC[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y12656
CC(C)[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y12657
CC(C)[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y12658
CC1=CC([C@@H](NC(=O)OC(C)(C)C)C(=O)O)=C(C)C=C1	Y12581
Cl.O=C(O)C1=C(F)C=CC([C@@H]2CCCN2)=C1	Y12735
O=C1CCCC2=C(F)C=C(C(F)(F)F)C=C12	Y12739
Cl.Cl.N[C@H](C1=C(F)C=NC=C1F)C1CC1	Y12659
Cl.Cl.N[C@H](C1=C(F)C=NC=C1F)C1CC1	Y12660
COC(=O)[C@@H](N)CC1=CC=C(F)N=C1F.Cl.Cl	Y12666
COC(=O)[C@@H](N)CC1=CC=C(F)N=C1F.Cl.Cl	Y12667
CCCC[C@H](N)C1=C(Br)C=CC=C1F	Y12672
CCCC[C@H](N)C1=C(Br)C=CC=C1F	Y12673
CCCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12678
CCCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12679
CC1=CC(F)=C2OCC[C@H](N)C2=C1	Y12787
N[C@H]1CCOC2=CC(F)=C(C(F)(F)F)C=C21	Y12789
N[C@H]1CCOC2=C(Cl)C(F)=CC=C21	Y12790
C=CC[C@H](N)C1=C(C)C=CC(F)=C1	Y12881
COC1=CC=CC(Cl)=C1[C@H](C)N	Y12884
CCCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12886
CC1=C(F)C=C2OCC[C@H](N)C2=C1	Y12796
N[C@H]1CCOC2=CC(Cl)=C(Br)C=C21	Y12801
COC1=C(Cl)C2=C(C=C1)C(=O)CCC2	Y12742
O=C(O)C1=CC=CC2=C1OCCC2=O	Y12745
COC1=CC(Br)=CC2=C1C(=O)CCO2	Y12757
CC1=CC(F)=C2OCC[C@H](N)C2=C1	Y12768
N[C@H]1CCOC2=CC(F)=C(C(F)(F)F)C=C21	Y12770
N[C@H]1CCOC2=C(Cl)C(F)=CC=C21	Y12771
Cl.N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O	Y12869
Cl.N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O	Y12871
Cl.N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O	Y12872
CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1.Cl	Y12873
CC1=CC(C[C@H](N)C(=O)O)=CN=C1.Cl.Cl	Y12875
Cl.Cl.N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O	Y12876
N[C@H]1CCOC2=C(C(F)(F)F)C=C(F)C=C21	Y12772
N[C@H]1CCOC2=CC(Br)=C(F)C=C21	Y12776
CC1=C(F)C=C2OCC[C@H](N)C2=C1	Y12777
N[C@H]1CCOC2=CC(Cl)=C(Br)C=C21	Y12782
N[C@H]1CCOC2=C(C(F)(F)F)C=C(F)C=C21	Y12791
N[C@H]1CCOC2=CC(Br)=C(F)C=C21	Y12795
CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1.Cl	Y12905
CC1=CC(C[C@H](N)C(=O)O)=CN=C1.Cl.Cl	Y12906
Cl.Cl.N[C@@H](CC1=CC(Cl)=CN=C1)C(=O)O	Y12907
Cl.Cl.N[C@@H](CC1=CC=C(F)N=C1F)C(=O)O	Y12908
Cl.N[C@@H](CC(=O)O)C1=C(Cl)C=CC(F)=C1	Y12910
C[C@H](N)C1=C(Cl)C=NC=C1Cl.Cl.Cl	Y12845
CCCC[C@H](N)C1=C(Br)C=CC=C1F	Y12857
Cl.N[C@@H](CC(=O)O)C1=C(Cl)C=CC(F)=C1	Y12878
C=CC[C@H](N)C1=C(F)C=CC(Br)=C1	Y12879
Cl.N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1	Y12887
CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1.Cl	Y12888
CC[C@H](N)C1=C(Br)C=CC=C1F	Y12892
CC[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y12896
Cl.Cl.N[C@H](C1=C(F)C=NC=C1F)C(F)(F)F	Y12897
Cl.Cl.FC1=CN=CC(F)=C1[C@@H]1CCCN1	Y12898
Cl.N[C@@H](CC1=CC(F)=C(Br)C=C1)C(=O)O	Y12902
Cl.N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O	Y12903
Cl.N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O	Y12904
C=CC[C@H](N)C1=C(F)C=CC(Br)=C1	Y12911
C=CC[C@H](N)C1=C(C)C=CC(F)=C1	Y12912
CCCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y12914
Cl.N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1	Y12915
CC1=C(Br)C=CC([C@@H](N)CC(=O)O)=C1.Cl	Y12916
Cl.Cl.N[C@H](C1=C(F)C=NC=C1F)C(F)(F)F	Y12920
Cl.Cl.FC1=CN=CC(F)=C1[C@@H]1CCCN1	Y12921
Cl.N[C@@H](CC1=CC(F)=CC(O)=C1)C(=O)O	Y12925
Cl.N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O	Y12926
CC(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12943
CCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12944
CCCC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y12945
CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1.Cl	Y12946
N[C@@H](CO)C1=CC(C(F)(F)F)=C(F)C=C1	Y12958
COC1=C(F)C([C@H](C)N)=CC=C1	Y12980
Cl.N#CC1=C([C@@H](N)CO)C=CC=C1	Y12984
CC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12987
CC(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12988
CCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12989
CCCC[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y12990
C[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12997
CC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12998
CCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y12999
C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y13000
CC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y13001
CC(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y13002
CCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y13003
CCCC[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y13004
COC(=O)[C@@H](N)CC1=CC(F)=C(C)C=C1.Cl	Y13033
CN[C@@H](CO)C1=CC=CC=C1	Y13039
CC1=CC(C[C@H](N)C(=O)O)=CC(O)=C1.Cl	Y13062
Cl.N[C@@H](C(=O)O)C1=C(O)C=CC(Br)=C1	Y13068
N[C@@H](C1=CC=CC=C1)C1=CC=C(Br)C=C1	Y13180
CC(C)(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y13184
CC(C)(C)[C@H](N)C1=C(F)C=CC(Br)=C1	Y13186
CC(C)(C)[C@H](N)C1=C(Br)C=CC=C1F	Y13189
N[C@H]1CCCC2=C1C=C(C(F)(F)F)C=C2	Y13083
N[C@H]1CCOC2=CC(F)=C(OC(F)(F)F)C=C21	Y13156
COC(=O)[C@H](N)C1=CC(Br)=C(Cl)C=C1.Cl	Y13237
COC(=O)[C@H](N)C1=C(Cl)C=CC(F)=C1.Cl	Y13239
Cl.N[C@H]1COC2=C1C=C(Br)C=C2	Y13240
CCCOC1=C([C@@H](N)C(C)(C)C)C=CC=C1	Y13241
COC1=C(Cl)C([C@H](C)N)=CC=C1	Y13243
COC1=CC(C)=C([C@@H](N)C(F)(F)F)C=C1.Cl	Y13248
COC(=O)[C@@H](N)CC1=C(O)C=CC(F)=C1.Cl	Y13317
COC(=O)C[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y13318
N[C@H]1CCOC2=CC(F)=C(OC(F)(F)F)C=C21	Y13157
C=C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13278
COC(=O)C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13279
C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13280
C=CC[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y13267
COC(=O)[C@H](N)C1=C(O)C=CC=C1.Cl	Y13270
COC1=CC(C)=C([C@@H](N)C(F)(F)F)C=C1.Cl	Y13272
CC1=C([C@@H](N)C(C)(C)C)C=C(F)C=C1	Y13190
COC1=C(Br)C=CC([C@@H](N)CO)=C1	Y13193
CC(C)(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y13194
CCC[C@H](N)C1=C(Br)C=CC(Br)=C1	Y13196
CCCC[C@H](N)C1=C(Br)C=CC(Br)=C1	Y13197
CC(C)(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y13198
CC(C)(C)[C@H](N)C1=C(F)C=CC(Br)=C1	Y13200
CC(C)(C)[C@H](N)C1=C(Br)C=CC=C1F	Y13203
CC1=C([C@@H](N)C(C)(C)C)C=C(F)C=C1	Y13204
COC1=C(Br)C=CC([C@@H](N)CO)=C1	Y13208
CC(C)(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y13209
CCC[C@H](N)C1=C(Br)C=CC(Br)=C1	Y13211
CCCC[C@H](N)C1=C(Br)C=CC(Br)=C1	Y13212
CC(C)(C)[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y13213
CC(C)(C)[C@H](N)C1=CC=CC(S(C)(=O)=O)=C1.Cl	Y13220
COC(=O)[C@H](N)C1=CC(Br)=C(Cl)C=C1.Cl	Y13234
COC(=O)[C@H](N)C1=C(Cl)C=CC(F)=C1.Cl	Y13236
COC(=O)[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y13252
CC(C)[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13255
C=C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13256
COC(=O)C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13257
C[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13258
C=CC[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y13290
Cl.N[C@H]1COC2=C1C=C(Br)C=C2	Y13296
COC(=O)[C@H](N)C1=C(Br)C=CC(F)=C1.Cl	Y13308
CCCOC1=C([C@@H](N)C(C)C)C=CC=C1	Y13319
CCCOC1=C([C@@H](N)C2CC2)C=CC=C1	Y13320
COC(=O)C[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y13321
COC(=O)C[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y13405
Cl.N[C@@H](CC1=C(Cl)C=CC(I)=C1)C(=O)O	Y13408
Cl.N[C@@H](CC1=C(Cl)C=CC(I)=C1)C(=O)O	Y13409
Cl.N[C@@H](CC1=CC(I)=CC(Cl)=C1)C(=O)O	Y13410
Cl.N[C@@H](CC1=CC(I)=CC(Cl)=C1)C(=O)O	Y13411
Cl.N[C@@H](CC1=CC(I)=C(F)C=C1)C(=O)O	Y13412
Cl.N[C@@H](CC1=CC(I)=C(F)C=C1)C(=O)O	Y13413
Cl.N[C@@H](CC1=CC(I)=C(Cl)C=C1)C(=O)O	Y13414
CCN(CC)CC(=O)NC1=C(C(=O)OC)C=CC=C1C	Y13485
COC1=NC2=CC=CC=C2C(OC)=C1C=O	Y13323
CCC[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13326
CCCC[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13327
CCCC[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13333
CCCOC1=C([C@@H](N)C(C)(C)C)C=CC=C1	Y13346
CC(C)(C)[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13350
CC(C)(C)[C@H](N)C1=C(Br)C=CC=C1F.Cl	Y13353
Cl.N[C@H]1COC2=CC=CC(Cl)=C21	Y13416
Cl.N[C@H]1COC2=C1C=CC(Cl)=C2	Y13417
Cl.N[C@@H](C(=O)O)C1=C(Br)C=CC(F)=C1	Y13418
COC(=O)C[C@H](N)C1=C(C)C=CC(F)=C1.Cl	Y13420
CC[C@H](N)C1=CC(F)=CN=C1OC	Y13431
COC1=NC=C(F)C=C1[C@@H](N)C(C)C	Y13434
ClC1=NC2=C(C=C1)NN=C2Cl	Y13460
CCOC(=O)CC1=NN=C(C2=CC=CC=C2)O1	Y13490
COC(=O)C1=NC(OC)=C(OC)C=C1	Y13491
CCOC1=C(NC2=C(Cl)C(=O)C3=C(C=CC=C3)C2=O)C=CC=C1	Y13494
CCN1CCN[C@@H](C)C1.Cl.Cl	Y13515
CC1(C)COC=CC1=O	Y13541
CC1(C)COCC[C@@H]1O	Y13542
Cl.N[C@H]1CCCC[C@H]1C(=O)O	Y13544
COC1=CC=CC2=C1N=CC(=O)N2	Y13545
CC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C	Y13547
CC1=NC(=O)C([N+](=O)[O-])=CN1	Y13548
CC(=O)C1=CN(C(C)C)C2=CN=C(Cl)C=C12	Y13573
O=C(O)C1=CN2C=CC=C2C=N1	C10069
CN1CC(O)=C(C2=C(OC3=CC=C(Cl)C=C3)C=CC=C2)C1=O	C10341
CN1CC(=O)[C@H](C2=C(OC3=CC=CC=C3)C=CC(Cl)=C2)C1=O	C10345
CC(=O)OC[C@@H]1O[C@H](C2=CC(CC3=CC4=C(C=CC=C4)S3)=C(F)C=C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	C10354
C=C1/C(=C\CP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	C10405
NC1=CC2=C(C=C1N)C1CC2CN(C(=O)C(F)(F)F)C1	C10409
NC1=CC2=C(N=C1)NC(=O)C2	C10496
CC1=CC2=C(C=C1)N=C(N1N=C(C)C(CC3=CC=CC=C3)=C1O)N2	C10499
OC[C@@H]1C[C@@H](N2C=CC3=C(N[C@H]4CCC5=C4C=CC=C5)N=CN=C32)C[C@@H]1O	C10500
FC1=C(N2CCNCC2)N=CC(C(F)(F)F)=C1	C10504
COC1=CN=C(OC)C2=C1C=CN2.Cl	C10415
CC(C)(C)OC(=O)N1CCN(C2=CC3=C(C=C2)OC(C(N)=O)=C3)CC1	C10437
COC(=O)N1CCCC(=O)C2=C1C(C)=CC(C)=C2	C10442
CCOC(=O)C(C)(C)NC1=CC(F)=C(C(=O)NC)C=C1	C10472
COC1=C([C@@H](C2=CC=CC=C2)[C@@](O)(CCN(C)C)C2=CC=CC3=CC=CC=C32)C=C2C=C(Br)C=CC2=N1.O=C(O)/C=C/C(=O)O	C10478
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CNC[C@@H]21	C10482
C[C@H](O)C1=C(C2=CC(F)=CC=C2)C(=O)C2=C(C=CC(F)=C2)O1	C10508
OC1=C(Cl)C2=C(N=C1)NC=C2	C10509
CC(C)(C)OC(=O)N1CC2(CC(=O)CC(=O)N2)C1	C10513
CCOC(=O)C1=CN(C2=NC=CS2)C2=C(C=CC(Cl)=N2)C1=O	C10517
COC1=C([N+](=O)[O-])C(/C=C/N(C)C)=C(Br)C=N1	C10518
NC1=NC=C(C2CC2)N=C1	C10520
C[C@@]1(C(=O)O)CCCCN1	C10522
COC(=O)C[C@H]1COC2=C1C=CC(O)=C2	C10524
CC(C)(C)OC(=O)N[C@H]1CNCC1(C)C	C10526
CC(C)(C)OC(=O)N1CCC2(CC[C@H](O)CO2)CC1	C10541
FC(F)(F)C1=NC2=C(C=CN2)C(Cl)=N1	C10560
C[C@H](N)C1=CC2=C(C=C1)OCO2	C10566
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C10572
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C10590
CCC(CC)(C1=CC=CC=C1)C(CC)(CC)C1=CC=CC=C1	C10607
CC(=O)NCCSC(=O)C1CCCCC1	C10621
CC1=C(C#N)C=CN=C1Cl	C10674
O=C(O)C1=CC=CC2=C1NN=C2Br	C10703
COC(=O)C1=C(OC)C=CC(CN[C@@H](C)C2=NC=C(C3=CC=CC=C3)N2)=C1	C10806
CC1=NOC(NS(=O)(=O)C2=C(C(=O)O)SC=C2)=C1Cl	C10728
CCOC(=O)C1=CSC(C(=O)/C=C/C(C)C)=N1	C10760
N#C[C@@H]1CNCCN1	C10786
CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)C2=CC(C(F)(F)F)=C(F)C=C2)CC1	C10789
N[C@@H](CC1=CC=CC(F)=C1)CN1C(=O)C2=C(C=CC=C2)C1=O	C10872
COC1=C(OC)C(CS(=O)(=O)C2=NC3=C(C=C(OC(F)F)C=C3)N2)=[N+]([O-])C=C1	C10828
O=C(O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC(O)=C1	C10833
CC1=CC=C2NN=C(Br)C2=N1	C10883
C[C@@H]1CCNC[C@@H]1N(C)C1=NC=NC2=C1C=CN2	C10884
C[C@H](OC(=O)C1=C(C(=O)O)C=CC=C1)C1=C(C(F)(F)F)C=CC=C1	C10889
COC1=CC2=C(C=C1)N=C(N1C=C(C)C(=O)C(C)=C1C(=O)O)N2	C10902
C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCCCCCCCCCCCCCCC1=CC=C(C2=C3C=CC=N3~B(F)(F)N3C=CC=C23)C=C1	C10908
N[C@@H](C(=O)O)C1=CC(=O)NO1	C10917
CC1=CC=C(S(=O)(=O)N2C=CC3=C(N(C)[C@H]4CN(CC5=CC=CC=C5)CC[C@H]4C)N=CN=C32)C=C1	C10949
CC(C)(C)OC(=O)N1CC2C=NNC2(O)C1	C11173
C=CC1=CC=C(C(C)(C)C(=O)O)C=C1	C11174
NC1=CC=C(C(F)(F)F)C(C(F)(F)F)=N1	C10991
O=C(O)C1=CC(CBr)=CC(CBr)=C1	C11023
O=C(N[C@@H](CC(F)(F)F)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	C11027
O=C(N[C@@H](CN1CCOCC1)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	C11028
CC1(C)C2=C(C=CC3=CC=CC=C32)[N+](CC2=CC=C(C(=O)O)C=C2)=C1/C=C/C1=C(Cl)/C(=C/C=C2/N(CC3=CC=C(C(=O)O)C=C3)C3=C(C4=CC=CC=C4C=C3)C2(C)C)CCC1.[Br-]	C11030
O[C@H]1CCOC2=CC=CC(Cl)=C21	C11035
CCCNS(=O)(=O)NC1=NC=NC(Cl)=C1C1=CC=C(Br)C=C1	C11058
NC1=C([N+](=O)[O-])C=C(OC(F)F)C=C1	C11062
NCC1=C(O)C=NC=C1	C11102
CCOC(=O)C=C1CCC(C2=CC=CC=C2)CC1	C11191
N#CCC(=O)N(C(=O)NC1=C(F)C=C(I)C=C1)C1CC1	C11193
CN(C)/C=N/C1=CC(=O)N(C2CC2)C(=O)N1C1=C(F)C=C(I)C=C1	C11194
CCCCCCCCCCCCCCOC1=CC=C(C(=O)O)O1	C11128
N#CC1=CC(C(=O)O)=NN1	C11143
NC(=S)C1=CC2=CC=CC=C2C=N1	C11146
CC(=O)C1=CC=CC2=CC3=CC=CC=C3C=C21	C11150
COC1=C(OC)C=C2CNCCCC2=C1.Cl	C11152
CCNC(=O)C1=NOC(C2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C(C(C)C)=C2)=C1C1=CC=C(CN2CCOCC2)C=C1	C11155
CCNC(=O)C1=NOC(C2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C(C(C)C)=C2)=C1I	C11156
CCC(=O)C1=CN(S(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)OC)=C1	C11176
O=C(O)C1=NNC=C1NC(=O)C1=C(Cl)C=CC=C1Cl	C11178
CN1C=C(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)C=N1	C11182
CCN1C(=O)C2=C(C=CC=C2)SC2=C1C=C(N)C=C2	C11250
C=C(OCCCC)C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(=O)OC(C)(C)C)CC4)C=C3)N=C2N(C2CCCC2)C1=O	C11197
CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O.O=C(O)C[C@H](O)C(=O)O	C11204
CC[C@@H](C)[C@H](CO)N(C)CC1=CC=CC=C1	C11599
C[C@@H](C(=O)OCC1=CC=CC=C1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C	C11600
COC1=CC=CC2=C1C(O)=C(C(=O)O)C(=O)N2C	C11604
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=S)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC=NC2=CC=C(OC)C=C21	C11258
FC(F)(F)C1=CC(NC(=S)NC2CCCCC2N2CC3=C(C4=CC=CC=C4C=C3)C3=C(C=CC4=CC=CC=C43)C2)=CC(C(F)(F)F)=C1	C11259
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=S)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC=NC2=CC=CC=C21	C11260
CC1=CC(O)=CC(C)=C1C[C@H](N)C(=O)O.Cl	C11263
CC1=C(O)C(=O)N=C(N)N1	C11267
N#CC1=CC(C(=O)O)=CC(N)=C1	C11272
CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	C11278
C1=CC=C(P(C2=CC=CC=C2)C2=C3OC45OC6=C(P(C7=CC=CC=C7)C7=CC=CC=C7)C=CC=C6CC4CCCC5CC3=CC=C2)C=C1	C11280
CC1=CC(C)=CC(P(C2=CC(C)=CC(C)=C2)C2=C3OC45OC6=C(P(C7=CC(C)=CC(C)=C7)C7=CC(C)=CC(C)=C7)C=CC=C6CC4CCCC5CC3=CC=C2)=C1	C11281
CC1=CC=C(P(C2=CC=C(C)C=C2)C2=C3OC45OC6=C(P(C7=CC=C(C)C=C7)C7=CC=C(C)C=C7)C=CC=C6CC4CCCC5CC3=CC=C2)C=C1	C11282
CCOC(=O)CC1CCC(C2=CC=CC=C2)CC1	C11348
CC1=CC2=C(C=O)C=CC=C2N1	C11357
C[C@H](NC(=O)OC(C)(C)C)C1=CC=C(C#N)C=C1	C11359
CC(C)N(CC[C@@H](C1=CC=CC=C1)C1=C(O)C=CC(CO)=C1)C(C)C	C11364
CCOC(=O)CC1(O)CCN(CC2=CC=CC=C2)CC1	C11369
CC(C)OC(=O)C1=CNCC(C)(C)C2=C1NC1=C2C=CC=C1	C11370
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1	C11371
CCCCC1=C(C(=O)C2=CC=C(OCCCN(CCCC)CCCC)C=C2)C2=C(C=CC(N)=C2)O1	C11374
CCCSC1=NC(N[C@H]2C[C@@H]2C2=CC(F)=C(F)C=C2)=C2N=NN([C@H]3C[C@@H](O)[C@H](O)[C@@H]3O)C2=N1	C11394
CC(C)(C)OC(=O)N[C@H](CO)CC1=CC=C(Br)C=C1	C11399
CC(C)(CN)CC(=O)O	C11423
NC1=CC2=CC=NC=C2N=C1	C11437
CC1=CC=C2C=C(Br)C=C(N)C2=N1	C11438
ClC1=C2NN=CC2=CC(Br)=N1	C11439
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C1N=CC(C(=O)OC(C)(C)C)=C2Cl	C11493
O=C1CC(=O)C12CCOCC2	C11495
C[Si](C)(C)C#CC1=CC=CC2=CC=NC=C12	C11497
C1=CC=C(CN2CC3CC(C2)C2=C3C=CC=C2)C=C1	C11499
CC(C)(C)OC(=O)N1CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C1	C11449
CC(C)(C)OC(=O)N1CC2(C1)OCC2(C)C	C11453
COC(=O)C1=CC2=C(Br)C=C(C#N)C=C2S1	C11507
COC1=CC=CC2=C1C=C(B(O)O)N2C(=O)OC(C)(C)C	C11455
C#CC1=C2C=NC=CC2=CC=C1	C11456
CC(C)(C)OC(=O)N1CCC[C@@H]1CC1=NN=C(C2=CC=CC=C2)O1	C11459
CN1N=C2C=CC(Br)=CC2=C1C(C)(C)O	C11460
C[C@H](NCC1=CC=C(C(=O)O)C=C1)C(C)(C)C	C11461
CC1=NC2=C(C=N1)C(I)=NN2	C11463
COC(=O)C1=C(OC)C=C(C)C(N)=C1	C11464
CC1=CN(C2=C(F)C=C(C(=O)O)C=C2)C=N1	C11465
COC(=O)C1=C(O[C@@H](C)C(F)(F)F)C=CC(S(C)(=O)=O)=C1	C11466
C1CNC[C@@]2(C1)CCCO2.Cl	C11468
CNC(=O)C1=CNC2=NC=C(Br)C=C12	C11469
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CO)O1	C11470
Cl.O=C(O)[C@@H]1CC2CCN1CC2	C11471
BrC1=CSC(C2=CC=CC3=CC=CC=C32)=N1	C11473
CN(C)C1=C(C2=NC(Br)=CS2)C=CC=C1	C11474
CN(C)C1=CC=C(C2=NC(Br)=CS2)C=C1	C11475
CN(C)C1=CC=CC(C2=NC(Br)=CS2)=C1	C11476
COC1=C(C2=NC(Br)=CS2)C=CC=N1	C11477
CC1=C(C2=NC(Br)=CN2C)C=CC=C1	C11479
C1CC2(CCN1)COC2.O=C(O)C(F)(F)F	C11482
CC(C)(C)OC(=O)N1C2CCC1C1=C2C=CC([N+](=O)[O-])=C1	C11484
CC1=C(C2=NC=C(Br)O2)C=CC=C1	C11485
Cl.N[C@@H](CC1CCCC1)C(=O)NC1CC1	C11490
CC(C)(C)OC(=O)N[C@]1(C2=CC=C(C#N)C=C2)C[C@@](C)(O)C1	C11501
CC(C)(C)OC(=O)N1CCC[C@H]1C1=CC(Br)=CN=C1	C11502
CNC1=CC(Br)=C2C=CNC2=N1	C11503
CN(C(=O)OC(C)(C)C)[C@H](CN)C[C@H]1CCCOC1	C11513
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(C(C)(C)O)=CN=C21	C11516
COC(=O)[C@H]1CCC[C@@H]1C(=O)C1=CC=C(Br)C=C1	C11517
CC1=CC=C(S(=O)(=O)N2C=CC3=C(C4=C(Br)C=CS4)C=CN=C32)C=C1	C11519
NC1=CC(F)=C(OC2=CC(Cl)=NC=C2)C=C1F	C11618
Br.CCCN[C@H]1CCC2=C(O)C=CC=C2C1	C11620
Br.CCCN[C@H]1CCC2=C(O)C=CC=C2C1	C11621
O=CC1=CC=CC(OCC2=CC=CC=C2)=C1Cl	C11549
CC(C)C1=COC(C=O)=C1	C11550
COC(=O)C1=CC(C(=O)NC2=C(F)C=CC=C2F)=C(OC)C=C1	C11554
CCC1=C(F)C=C(O)C([N+](=O)[O-])=C1	C11555
CCOC(=O)C1=CC2=C(C=C1)N([C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1)C(N)=N2	C11569
CCOC(=O)C[C@H]1CC[C@H](C2=CC=C(CBr)C=C2)CC1	C11573
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C1=C2C=C([N+](=O)[O-])C=C1	C11575
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1	C11917
O=C(OCC1=CC=CC=C1)C(F)C(=O)OCC1=CC=CC=C1	C11918
CCO[C@H]1CN([C@H]2CC[C@](O)(C3=CC4=C(C=C3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)C1=CC=CC(C(F)(F)F)=C1	C11919
CCOC(=O)C1=C(C)N(C2=C(N)C=CC(C)=C2)C=N1	C11583
CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)O	C11596
CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)O)=C1	C11607
COC(=O)C1=CC=C(C2=NNC3=C2C=CC=C3)O1	C11613
COC(=O)[C@@H](N)CC1=CNC2=C1C=CC(OC)=C2	C11711
CC1=CSC(CN)=N1.Cl	C11625
COCOC(C)(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O)C[C@@H](O)C3)CCC[C@]21C	C11631
CC[Si](CC)(CC)OC(C)(C)[C@@H](C)CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1	C11632
O=C1CC2CCC(C1)N2C(=O)C1=CC=CC=C1	C11646
COC(=O)[C@H](OC1=CC=CC2=C1C=C(/C(N)=N/C(=O)OC(C)(C)C)S2)C1=CC=CC=C1	C11660
COC1=C(C)C(NC(=O)C2=NC(C(C)C)=CS2)=C(C(C)=O)C=C1	C11661
COC1=CC=C2C(Cl)=CC(C3=NC(C(C)C)=CS3)=NC2=C1C	C11662
COC1=C(C)C(N)=C(C#N)C=C1	C11663
O=C(O)C1CC2CC1C(=O)O2	C11668
CC(C)(C)OC(=O)N1C=C(C(C)(C)CN)C2=C1C=CC=C2	C11672
COC1=C(N2C=NC(C)=C2)C=CC(C2=CN([C@H]3CCC4=C(F)C=CC=C4NC3=O)N=N2)=C1	C11681
O=C1N=C(NC(=O)C2=CC=CC=C2)C(I)=CN1	C11688
CN1CCC[C@@H]1CC1=CNC2=C1C=CC=C2	C11700
O=C(O)C1(CSC2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1	C11811
CCCCC1=CC2=C(C=CC(NS(C)(=O)=O)=C2)O1	C11817
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CO)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C11820
COC(=O)[C@@H](CC1=CC(C(=N)N)=CC=C1)[C@H](C)NC(=O)C1=CC=C(C2=CC=[N+]([O-])C=C2)C=C1.Cl	C11731
COC(=O)C1=CC2=C(N=CN2C)C(F)=C1NC1=CC=CC=C1	C11736
COC(=O)C1=CC([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1	C11738
CC(=O)C1=C(N)C(C)=C(O)C=C1	C11739
O=C(O)C1=CC=CC(NC(=O)N2CCC(OC3=C(Cl)C=CC=C3)CC2)=C1	C11746
C[Si](C)(C)C1=C(F)C=C(Br)C=C1F	C11747
C[Si](C)(C)C1=C(F)C(C=O)=C(Br)C=C1F	C11748
O=C(O)C1=CC2=C(Br)C=C(F)C=C2S1	C11749
CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(CC1=CC=CC=C1)C2.O=C(O)C(=O)O	C11758
COC1=CC(C)=C(S)C=C1C(=O)O	C11761
COC1=CC(C)=C(SC2=CN=C(N)S2)C=C1C(=O)O	C11762
COC1=CC(C)=C(SC2=CN=C(N)S2)C=C1C(=O)N1CCN(C(C)=O)CC1	C11763
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)O[C@@H](COCC2=CC=CC=C2)C1	C11775
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CNC[C@@H]21	C11777
FC(F)(F)C1=C(Br)C2=C(N=C1)NC=C2	C11778
C=C1/C(=C\C=C2/CCC[C@]3(C)C2CC[C@H]3[C@@H](C)CCCC(C)C)C[C@H](O)C[C@@H]1O	C11779
BrC1=CN2C(I)=CN=C2S1	C11780
C#CC[C@H](CC1=NC2=C(N)N=C(N)N=C2N=C1)C1=CC=C(C(=O)O)C=C1	C11781
O=C1CC(C2=NC(C3=CC4=NC(C5=CC=CC=C5)=CC=C4C=C3)=C3C(Cl)=NC=CN23)C1	C11828
CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	C11829
CCOC(=O)C1=CC2=C(C=C1)N([C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1)C(NC1=NN(COCC[Si](C)(C)C)C3=C1C=C(Br)C=C3)=N2	C11934
S=C(NCC1=CC=CC=C1)NC1=CC=C(C2=CC=CC=C2)C=C1	C12003
S=C(NCC1=CC=CO1)NC1=CC=C(C2=CC=CC=C2)C=C1	C12004
COCOC(C)(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C(=O)CCC[C@]21C	C11830
CC1=CN(C2=C(C#N)C=C(C=O)C=C2)C=N1	C11966
CC1=CN(C2=C(F)C=C(C=O)C=C2)C=N1	C11967
O=C1CC2(CCNCC2)C(=O)N1C1=CC=CC=C1	C11968
C1=CC=C(CN2CCC[C@@]3(CCCN3)C2)C=C1	C11969
C1NCC12CNC2.Cl.Cl.O.O	C11970
	C11972
N[C@H]1CC[C@@H](N2CCN(CC3CC3)CC2)CC1	C11973
N#CC1=CN=C2C=C(F)C=C(F)C2=C1O	C11975
COC1=CC2=NC=C(C#N)C(O)=C2C=C1[N+](=O)[O-]	C11976
COC1=CC=C(CNC2=NC(C3=CC(C)=CC=C3)=CC3=CC=C(N(C)C)C=C32)C=C1	C11834
CC1(C)OB(C2=CC=CC3=NN([C@@H]4CCCCO4)C=C23)OC1(C)C	C11837
CS(=O)(=O)C1=C2C(=CC(F)=C1)C1=C([C@@H](CC(=O)O)CC1)N2CC1=CC=C(Cl)C=C1	C11838
CCOC(=O)C1=NOC(C2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C(C(C)C)=C2)=C1	C11846
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	C11847
CC(C)N(CC[C@@H](C1=CC=CC=C1)C1=C(O)C=CC(C=O)=C1)C(C)C	C11866
CCOC(=O)C1=CC=C([C@H](C)N2N=C(C3=CC(Cl)=CC(Cl)=C3)C=C2C2=CC3=CC=C(OC)C=C3C=C2)C=C1	C11871
COC1=C(OC)C=C(CC2=NN3C([C@@H](CCCC4=CC=CC=C4)[C@@H](C)O)=NC(C)=C3C(=O)N2)C=C1	C11874
CCCC[C@@H](CO)NC(=O)OC(C)(C)C	C11876
CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)O	C11877
CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C	C11878
CCOC(=O)[C@H]1[C@H]2CCC(=O)[C@H]2C[C@@H](CC)[C@@H]1C(=O)O	C11880
O=C(N[C@@H](CO)C(=O)NCC1=CC=CC=C1)OCC1=CC=CC=C1	C11886
CS(=O)(=O)C1=CC=C(C2=CC=C(C(=O)C(F)(F)F)C=C2)C=C1	C11895
CNC(=O)C1=CC2=CC=C([C@](O)(CCO)C3=CN(C(C4=CC=CC=C4)(C4=CC=CC=C4)C4=CC=CC=C4)C=N3)C=C2C=C1	C11900
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/C(O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C11902
C[Si](C)(C)CCOCN1N=C(I)C2=C1C=CC(Br)=C2	C11903
CC(C)(C)OC(=O)N1CCC2(CC=CCO2)CC1	C11905
CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CN(C(=O)C3=C(Cl)C=CC=C3Cl)C3=NC=C(C4=CC=C(Cl)C=C4)C=C23)=C1F	C11921
COP(=O)(OC)SC	C11947
C=CCCCCOC1=CC=C(O)C=C1	C11962
CC(C)(C)OC(=O)N1CCC[C@H]([C@H](O)C2=CC=CC(Cl)=C2)C1	C11979
CC(C)(C)OC(=O)N1C(B(O)O)=CC2=CC=CC(Cl)=C21	C12053
CCOC(=O)C1=CC2=C(N=CC(C)=C2)N1	C12056
CC(C)(C)OC(=O)N1CCC(N2C=C(C=O)N=N2)CC1	C11989
C=CCNC(=S)NC1=CC=C(C(N)=O)C=C1	C11992
C=CCNC(=S)NC1=CC=C(C(C)C)C=C1	C11994
C=CCNC(=S)NC1=CC=C(CCCC)C=C1	C11995
C=CCNC(=S)NC1=CN=CC=C1	C11996
C=CCNC(=S)NC1=NC=CC=C1	C11998
C=CCNC(=S)NC1=CC=C(N2CCOCC2)C=C1	C12001
CCCNC(=S)NC1=CC=C(C2=CC=CC=C2)C=C1	C12002
CCOCCCCCCCCCP(=O)(OCC)OCC	C12009
COC1=C(N2C=NC(C)=C2)C=CC([N+](=O)[O-])=C1	C12010
C=C[C@@H]1COC(=O)C1	C12022
CCC(N)(P(=O)(O)O)P(=O)(O)O	C12035
CCOC(=O)C1=CC2=C(C(C)C)C(OC)=C(OC)C=C2C(O)=C1	C12039
COC(=O)C1=CC2=C(C(C)C)C(OC)=C(OC)C=C2C(OC)=C1	C12040
COC(=O)C1=CC2=CC=CC=C2C(OC)=C1	C12042
CC(=O)N1C=C(C[C@H]2CCCN2C)C2=C1C=CC(Br)=C2	C12057
COC(=O)C1=CC([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)=C(O)C=C1	C12060
C#CC[C@@](CC1=NC2=C(N)N=C(N)N=C2N=C1)(C(=O)O)C1=CC=C(C(=O)O)C=C1	C12062
COCOC(C)(C)[C@@H](C)CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1	C12317
CON(C)C(=O)N1N=C(C2=C(F)C=CC(F)=C2)S[C@@]1(CCCNC(=O)OC(C)(C)C)C1=CC=CC=C1	C12394
C[C@@H]1CCN(CC2=CC=CC=C2)C[C@@H]1N(C)C1=C2C=CNC2=NC(Cl)=N1	C12399
C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C	C12064
CN1CC2C3=C(C=CC=C3)OC3=C(C=C(Cl)C=C3)C2C1=O	C12065
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](N)C1CCCCC1)C(C)(C)C	C12067
N#CC1=CC2=C(C=C1)NC=C2CCCCO	C12068
O=C(N1CC2CC(C1)C1=CC3=NC=CN=C3C=C12)C(F)(F)F	C12071
COC1=CC=CC2=C1CC[C@H](NCCC1=CC=CS1)C2.Cl	C12072
CN1C[C@@H]2C3=C(C=CC(Cl)=C3)OC3=C(C=CC=C3)[C@@H]2C1=O	C12080
CC(C)N(CC[C@@H](C1=CC=CC=C1)C1=C(OCC2=CC=CC=C2)C=CC(Br)=C1)C(C)C	C12087
OCC[C@@H](C1=CC=CC=C1)C1=C(OCC2=CC=CC=C2)C=CC(Br)=C1	C12089
Cl.N[C@@]1(C(=O)O)CCOC1	C12093
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C1N=C(Cl)C=C2	C12096
CC1=CC=C(S(=O)(=O)N2C=C(C)C3=C(Cl)C=CN=C32)C=C1	C12099
CC(C)C1=CC=C(C2=NC(=O)N(C(C)C)C3=C2C=C(O)C=C3)C=C1	C12102
C#CCNC1=CC2=C(C=C1)N(C(C)C)C(=O)N=C2C1=CC=C(C(C)C)C=C1	C12103
O=C(O)[C@H]1CCC[C@@H]1C(=O)C1=CC=C(Br)C=C1	C12105
C#CC1=CC(OC)=C(N2C=NC(C)=C2)C=C1	C12107
CCOC(=O)C1=CC2=C(N=CC(OC)=C2)N1	C12108
COC(=O)N1C=CC2=C1N=C(Cl)C=C2Cl	C12109
NC1=NC=C(C2=CNC3=NC=C(Br)C=C23)S1	C12110
CC1=NC(C2=CNC3=NC=C(Br)C=C23)=CS1	C12111
CC(C)(C)OC(=O)N1C=CC2=C(N)C=CN=C21	C12112
NC1=C2C=CN(CC3=CC=CC=C3)C2=NC=C1	C12113
CN(C)CC1=CC=C(C2=CC3=C(B4OC(C)(C)C(C)(C)O4)C=CN=C3N2S(=O)(=O)C2=CC=CC=C2)C=C1	C12117
Cl.O=C(O)[C@@H]1CC2CCN1CC2	C12118
CC(=O)OC[C@H](C)[C@@H]1CC[C@]2(C)C(=O)CCC[C@@]12C	C12119
Cl.O=C(O)[C@@H]1C[C@@H]2CCN1C2	C12121
CC(C)(C)[Si](O[C@@H]1C=CO[C@H]1CO)(C1=CC=CC=C1)C1=CC=CC=C1	C12125
COC1=CC=CC(NC2=C3C=C(I)C=C(C)C3=NC=C2C(N)=O)=C1	C12212
COC(=O)C1=CC=CC(SC2=CC3=C(NC4=CC(OC)=CC=C4)C(C(N)=O)=CN=C3C(C)=C2)=C1	C12213
C1=CC=C(CN2CC3CCC(C2)O3)C=C1	C12217
O=C1COCCN1C1=C([N+](=O)[O-])C=CC=C1	C12221
CC(C)C(=O)OC1=C([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)C=C(CO)C=C1	C12128
O=S(=O)(C1=CC=C(Cl)C=C1)[C@@]12CC[C@H](O)C[C@@H]1COC1=C2C(F)=CC=C1F	C12130
C[C@H](NC(=O)OCC1=CC=CC=C1)C1=CC=C(C(=O)NC2=C3C=CNC3=NC=C2)C=C1	C12133
CN1C[C@@H]2C3=C(C=CC=C3)OC3=C(C=C(Cl)C=C3)[C@@H]2C1=O	C12189
O=[N+]([O-])C1=CC(CCO)=C(CO)C=C1	C12191
CCOC1=C(OCC)C=C2C(=C1)N=CN=C2NCC1=C(Cl)C=CC=C1F	C12197
CN1C=NC2=C1C=C(C(=O)O)C(NC1=C(Cl)C=C(Br)C=C1)=C2F	C12199
O=C(NC1=C(Cl)C=CC=C1)C1=CC=C(NC2=C(F)C=NC(Cl)=N2)C=C1	C12202
O=C(O)C1CCCC1C(=O)O	C12142
Cl.NCC[C@H]1CCC2=C1C1=C(C=C2)OCC1	C12144
C#CC(C)(C)C1=NN=C(N)S1	C12146
CCN1C=C(Br)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	C12147
CC1=CN2C(=O)C=C(N3CCOCC3)N=C2C([C@H](C)O)=C1	C12149
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C1C[C@H]1C(=O)O	C12155
CC(C)(C)OC(=O)COC[C@H](CCCCOCC1=CC=CC=C1)NC(=O)OC(C)(C)C	C12157
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C[C@@]1(C2)C(=O)N(COCC[Si](C)(C)C)C2=NC=CC=C21	C12163
CCOC(=O)CN1C(=O)C2(CCCC2)N(C(=O)OC(C)(C)C)C[C@H]1C1=CC(F)=CC(F)=C1	C12164
CCOC(=O)CN1C(=O)C2(CCCC2)N(C(=O)OC(C)(C)C)C[C@H]1C1=CC(F)=CC(F)=C1	C12165
C[C@@H](O)[C@@H]1CC[C@@H]2C(O[Si](C)(C)C(C)(C)C)CCC[C@]21C	C12166
CN1CCC[C@@H]1CC1=CNC2=C1C=C(Br)C=C2	C12167
CC1=C(CCO)C(=O)N2C=CC=C(OCC3=CC=CC=C3)C2=N1	C12169
COC1=C(N)C=C(N2CCOCC2)C=C1	C12270
COC1=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C(N2CCOCC2)C=C1	C12271
COC1=C(NC(N)=S)C=C(N2CCOCC2)C=C1	C12272
CC(C)(C)OC(=O)N1CCC[C@@]2(CCO2)C1	C12273
ClC1=CC=CC(NC2=NC=CC(C3=CC(Cl)=NC=C3)=N2)=C1	C12277
Cl.NNC(=S)C1=C(F)C=CC(F)=C1	C12402
CC(C)(C)OC(=O)N[C@@H](CCS)C(=O)O	C12487
CC1=C(C)C2=C(NC(=O)[C@H](CC(=O)OC(C)(C)C)N=C2C2=CC=C(Cl)C=C2)S1	C12488
COC1=C(Cl)C([C@@H](O)CNC(C)(C)C)=CC=C1O	C12307
CC(C)(C)NC[C@H](O)C1=CC=CC(OCC2=CC=CC=C2)=C1Cl	C12308
C=C(OCC)C1=C(C2=CC=C(C)C=C2)C2=C(N)N=CN=C2N1CCCO[Si](C)(C)C(C)(C)C	C12491
CC1=C(C(=O)OC(C)(C)C)C(C2=CC=CC=C2)=NO1	C12239
CCOC(=O)[C@@H]1C=NC2=C([N+](=O)[O-])C=CC=C2C1=O	C12241
CCOC(=O)C1=CC=C(C2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2)C=C1	C12248
O=C(O)C1=CC=C(C2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2)C=C1	C12249
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)C=O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C12255
CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	C12257
CC(=O)N1N=C(C2=CC=C(C(C)(C)C#N)C=C2)C2=C3C=C(Br)C=CC3=NC=C21	C12258
CC(C)(C)C(=O)OCC1=CC(O)=C([N+](=O)[O-])C=C1	C12263
C=C1O[C@H](N2C=CC(=O)NC2=O)[C@@H](O)[C@H]1O	C12422
CCOC(C[C@H](CO)CN1C=NC2=C1N=C(N)NC2=O)OCC	C12424
COC1=CC=C(N(N)CC2=CC=C(Cl)C=C2)C=C1	C12426
CC[Si](CC)(CC)OC(C)(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C(=O)CCC[C@]21C	C12449
C=CC[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)OC	C12453
CC(=O)NC1CCNC(CC2=CC=C(Cl)C=C2)C1.Cl	C12456
CCCN[C@H]1CCC2=C(C1)SC=N2.Cl	C12321
CCOC(=O)C[C@H]1CC[C@H](C2=CC=CC=C2)CC1	C12322
O=C(O)C[C@H]1CC[C@H](C2=CC=CC=C2)CC1	C12323
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C	C12329
COCC1=CC([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)=C(O)C=C1	C12330
CC(C)NCC[C@@H](C1=CC=CC=C1)C1=C(O)C=CC(CO)=C1	C12331
CC1(C)O[C@H]2[C@H](OCCO)C[C@H](N)[C@H]2O1.O=C(O)C(=O)O	C12334
O=[N+]([O-])C1=CC(Cl)=C(OC2=CC(C(F)(F)F)=CC=C2)C=C1	C12340
C#CC1=CC2=C(C=C1)CCCC2	C12341
C#CC(C)(C)C1=CC=CC=C1	C12343
C#CC1CC2=C(C=CC=C2)C1	C12344
CC(C)(C)OC(=O)NC1=NC=CC2=C1NC=N2	C12345
COC1=CC=CC(C2=NC(Br)=CS2)=N1	C12349
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C1=C2C=C([N+](=O)[O-])C=C1	C12353
COC(=O)C1=C(O)C2=C(C=CC=C2OC)N(C)C1=O	C12355
CC1=NN(C2=CC=CC=C2)C(N2CCN([C@H]3C[C@@H](C(=O)N4CCSC4)N(C(=O)OC(C)(C)C)C3)CC2)=C1	C12365
COC(=O)C[C@H]1CC[C@H](C2=CC=C(O)C=C2)CC1	C12368
BrC1=CSC(C2=C3OCCCC3=CC=C2)=N1	C12382
COC1=CC=C2C(O[C@H]3C[C@@H]4C(=O)N[C@@]5(C(=O)O)C[C@@H]5C=CCCCCN(C)C(=O)[C@H]4C3)=CC(C3=NC(C(C)C)=CS3)=NC2=C1C	C12383
C[C@H](N[C@@H](C)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1)C1=CC=CC=C1	C12388
CC1=NC(C(=O)O)=C(C2=C(F)C=CC=C2)S1	C12389
CC(C)(C)OC(=O)N1CCCC[C@H]1C1(O)CN(C(=O)C2=CC=C(F)C(F)=C2NC2=C(F)C=C(I)C=C2)C1	C12390
CN(C)C(=O)N1N=NC(CC2=CC=C(C3=CC=CC=C3)C=C2)=N1	C12391
O=C1C2=C(C=CC=C2)C(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)N1C1=CC=CC=C1	C12403
COC1=CN=C(Cl)C2=C1C=CN2.Cl	C12405
COC(=O)C(=O)C1=CNC2=C(N3C=NC(C)=N3)N=CC(OC)=C12	C12406
COC1=C2C(C(=O)C(=O)O)=CNC2=C(N2C=NC(C)=N2)N=C1	C12407
CC(C)(C)OC(=O)N[C@@H]1CCCCCC=C[C@H]2C[C@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@H]2C[C@H](O)CN2C1=O	C12409
C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O	C12411
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCSC1	C12412
CC1=NN(C2=CC=CC=C2)C(N2CCN(C(=O)OC(C)(C)C)CC2)=C1	C12413
CCOC(=O)C(C)(C)CC1=C(SC(C)(C)C)C2=C(C=CC(OCC3=NC4=CC=CC=C4C=C3)=C2)N1CC1=CC=C(Cl)C=C1	C12420
CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1B1OC(C)(C)C(C)(C)O1	C12421
COC1=CC=C(COC(=O)[C@@H]2C[C@H]2[C@]2(CC3C4=C(C=CC=C4)OC4=C3C=CC=C4)NC(=O)N(CC3=CC=C(OC)C=C3)C2=O)C=C1	C12591
O=C(O)CCCN1CCC(O[C@@H](C2=CC=C(Cl)C=C2)C2=NC=CC=C2)CC1.O=S(=O)(O)C1=CC=CC=C1	C12592
ClC1=CC2=C(C=C1)OC1=C(C=CC=C1)N=C2Cl	C12473
COC(=O)[C@@H]1CCS[C@H]2C[C@@]3(CCCN3C(=O)OC(C)(C)C)C(=O)N21	C12484
O=C(O)CC1=CC=C(NC(=O)COC2=C(Cl)C=C(Cl)C=C2)C=C1	C12485
CC1(C)O[C@H]2[C@H](OCCO[Si](C)(C)C(C)(C)C)C[C@H](N)[C@H]2O1	C12493
Cl.OC1(C2=CC=C(Br)C=C2)CCNCC1	C12496
Cl.ClC1=CC=C(C2(C3=CC=C(Br)C=C3)CCNCC2)C=C1	C12497
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)C1=CC=CC=C1.Cl	C12500
COC(=O)[C@@H]1C[C@@H](NC(=O)C2=CC=CC=C2)CN1C(=O)OC(C)(C)C	C12503
COC(=O)[C@@H]1C[C@@H](NC(=O)C2=CC=CC=C2)CN1.Cl	C12504
CC(C)(C)OC(=O)NCC(=O)N1C[C@H](NC(=O)C2=CC=CC=C2)C[C@H]1C(=O)O	C12506
CCOC(C[C@H](CO)CN1C=NC2=C(O)N=C(N)N=C21)OCC	C12590
CCOC(=O)C1=C(C)N2C(=N1)C(=O)NC1=C2C=C(C)C=C1	C12516
CN1N=CN=C1/C=C1\OC(=O)C2=CC(F)=CC([N+](=O)[O-])=C21	C12517
COC(=O)C1=CC(F)=CC2=C1C(=O)C(C1=NC=NN1C)C(C1=CC=C(F)C=C1)N2	C12518
COC(=O)C1=CC(F)=CC2=C1C(=O)[C@H](C1=NC=NN1C)[C@@H](C1=CC=C(F)C=C1)N2	C12519
COC(=O)C1=CC(F)=CC2=C1C(=O)[C@H](C1=NC=NN1C)[C@@H](C1=CC=C(F)C=C1)N2	C12520
COC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1C(=O)CC1=NC=NN1C.Cl	C12521
C[Si](C)(C)CCOCN1C=C(C(F)(F)F)C2=C1N=C(Cl)C=C2[N+](=O)[O-]	C12580
COC(=O)CCCCN(CCC1=C(O)C=CC=C1)CC1=CC=C(C(=O)OC)C=C1	C12525
CC(=O)O.CC(=O)O.CN(C)C[C@H]1CC[C@H](N)CC1	C12532
COC(=O)C1=C(F)C=CC(S(C)(=O)=O)=C1	C12534
CC1(C)OB(C2=CC(C#N)=C(C(F)(F)F)C=C2)OC1(C)C	C12545
C#CC1=CC=CC(NC2=C3C=C(OCCOC)C(OCCCl)=CC3=NC=N2)=C1	C12549
C#CC1=CC=CC(NC2=C3C=C(OCCCl)C(OCCOC)=CC3=NC=N2)=C1	C12550
CCNC(=O)NC1=CC=C(C2=NC(N3CCOC[C@@H]3C)=C3CCN(C(=O)OC(C)(C)C)CC3=N2)C=C1	C12552
CCOC(=O)CC1=CC=C(C2=CC=C(C3=C(NC(=O)O[C@@H](C)C4=CC=CC=C4)C(C)=NO3)C=C2)C=C1	C12555
COC(=O)C1=CC(C(=O)OC)=C(C(=O)OC)C=C1C(=O)N(CC1=CC(OC2=CC=CC=C2)=CC=C1)[C@H]1CCCC2=C1C=CC=C2	C12562
COC(=O)[C@H](O)C1=CC(F)=CC(F)=C1	C12566
CN1C(=O)/C(=N/O)C2=C(C=CC=C2)C2=C1C=CC=C2	C12568
O=[N+]([O-])C[C@@](O)(C1=CC=CN=C1F)C(F)(F)F	C12578
O[C@]1(C(F)(F)F)CNC2=C1C=CC=N2	C12579
CCOP(=O)(CC1=CC(C[C@H]2C(=O)N(C)[C@H](C(C)(C)C)N2C(=O)OC(C)(C)C)=CC(Br)=C1)OCC	C12584
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)OCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	C12586
CC1=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=CC(NC(=O)C2=CC(N)=CC=C2)=C1	C12598
O=[N+]([O-])C1=CC2=C(C=C1)OCCOCCOCCO2	C12600
COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C	C12603
COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)C(F)=C[C@@]4(C)[C@@H]3CC[C@@]12C	C12606
CN1C(=O)C(F)=C[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)O)CC[C@H]12	C12607
CC[C@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)NC3=O)C=C(Br)C=C21	C12690
COC(=O)[C@@H]1C[C@@H](OC2=NC3=CC(OC)=CC=C3N=C2Cl)CN1.Cl	C12692
COC(=O)[C@@H]1C[C@@H](OC2=NC3=CC(OC)=CC=C3N=C2Cl)CN1C(=O)OC(C)(C)C	C12696
O=C(CCCCCl)NC1=CC=C([N+](=O)[O-])C=C1	C12697
CC1=C(C2=CC(C(C)(C)C(F)(F)F)=NC=C2)SC(N)=N1	C12610
CNS(=O)(=O)C1=C(NC2=C(Cl)C=NC(Cl)=N2)C=CC=C1	C12619
COC1=CC=CC(C2=NC3=C(C=CC=C3)C(=O)N2)=C1	C12620
CC(C)(C)OC(=O)N1N=CC2=C1C=CC(NC1=NC(C3=CC(O)=CC=C3)=NC3=CC=CC=C31)=C2	C12623
CN(C)C[C@H](NC(=O)N1CC2=C(N)NN=C2C1(C)C)C1=CC=CC=C1	C12624
CCC1=C2N=C(N3CCCC[C@@H]3CCO)C=C(NCC3=CN=CC=C3)N2N=C1	C12629
CN1N=CC2=C(C=CC=C2)CC1=O	C12631
CCC1=C(C(=O)O)C=CC(OC)=C1C	C12632
COC1=CC=C(CNC2=C3N=CN(C(C)C)C3=NC(Cl)=N2)C=C1	C12634
C#CC1=CC2=C(C=C1)CCC2	C12642
CCOC(=O)C1=NC(O)=C(C)N=C1C	C12652
CCOC(=O)C1=C(C)N=C(C)C(Cl)=N1	C12653
CC1=NC(C)=C(C(N)=O)N=C1Cl	C12654
COC(=O)C[C@H]1CC[C@H](C2=CC=C(C3=C(C)N=C(C)C(C(N)=O)=N3)C=C2)CC1	C12655
COC(=O)C[C@H]1C2=CC=CC(F)=C2NC(=O)N1C1=C(OC)C=CC(C(F)(F)F)=C1	C12718
COC(=O)C[C@H]1C2=CC=CC(F)=C2N=C(N2CCN(C3=CC(OC)=CC=C3)CC2)N1C1=C(OC)C=CC(C(F)(F)F)=C1	C12719
CCOC1=C(OC)C=CC(C(=O)CS(C)(=O)=O)=C1	C12767
C#CCC(CC#C)(C(=O)OC)C1=CC=C(C(=O)OC)C=C1	C12661
CCC[C@H](NC(=O)OC(C)(C)C)C(OC(C)=O)C(=O)NC1CC1	C12663
CCCSC1=NC(N[C@H]2C[C@@H](O)[C@@H]3OC(C)(C)O[C@H]23)=C(N)C(Cl)=N1	C12667
CCCSC1=NC2=C(N=NN2[C@H]2C[C@@H](O)[C@@H]3OC(C)(C)O[C@@H]32)C(Cl)=N1	C12668
CCCSC1=NC(N[C@H]2C[C@@H]2C2=CC(F)=C(F)C=C2)=C2N=NN([C@H]3C[C@@H](O)[C@@H]4OC(C)(C)O[C@@H]43)C2=N1	C12669
N#CC1=C(CN2C(=O)NC(=O)C=C2Cl)C=CC=C1	C12670
CN1C(=O)C=C(N[C@H]2CCCN(C3=CC(=O)N(C)C(=O)N3CC3=C(C#N)C=CC=C3)C2)N(CC2=C(C#N)C=CC=C2)C1=O	C12671
O=[N+]([O-])C1=CC=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=C1	C12674
NC1=CC=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=C1	C12676
CC(=O)OC[C@@H]1O[C@H](C2=CC(CC3=CC=C(C4=CC=C(F)C=C4)S3)=C(C)C=C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	C12678
C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1N(C)C1=NC=NC2=C1C=CN2	C12680
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C1=C2C=CNC2=NC(Cl)=N1	C12681
CN(C)CC1=CNC2=C(Cl)C=CC=C12	C12684
CC1=CC(C(=O)O)=C(C2=C(C(=O)O)C=C(C)C=C2)C=C1	C12685
C=C1[C@@H](N2C=CC(NC(=O)C3=CC=CC=C3)=NC2=O)O[C@@H](COC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1	C12689
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N	C12703
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2I	C12704
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C5=CN=CC=C5)[C@@]4(C)CC[C@@H]32)C1	C12705
NC1=NC(=O)N(C[C@H](O)COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	C12706
COC1=CC=C(C(NC2=NC(=O)N(C[C@H](O)COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	C12708
CC(C)(C)CNCC(C)(C)N1C=NC([N+](=O)[O-])=C1	C12710
CC(=O)C1=CC2=C(CCCC2=O)S1	C12714
CC[C@H]1CNCCN1.Cl.Cl	C12792
CC1=C(Br)C(=O)N(C2CCCC2)C2=C1C=NC(Br)=N2	C12794
CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)NC1CC1	C12795
COC1=C(N)C=C(C(F)(F)F)C=C1.Cl	C12716
COC1=C(NC(=O)NC2=C(Br)C=CC=C2F)C=C(C(F)(F)F)C=C1	C12717
CCN(C1=C(C)C(C(=O)NCC2=C(C)C=C(C)NC2=O)=CC(Br)=C1)C1CCOCC1	C12720
CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1	C12723
CCOC(=O)CO[C@@H]1C[C@H](NC(=O)OCC2=CC=CC=C2)[C@H]2OC(C)(C)O[C@@H]12	C12729
C[C@H](NC(=O)/C=C/C1=CC=CC(C(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21	C12731
N#C/C(=C\C1=CC=CC(Cl)=C1F)C1=C(F)C=C(Cl)C=C1	C12732
CC(C)(C)C[C@H]1N[C@H](C(=O)OC(C)(C)C)[C@@H](C2=CC=CC(Cl)=C2F)[C@]1(C#N)C1=C(F)C=C(Cl)C=C1	C12733
CCOC(=O)C1=NC(C)=NN1C(C)C	C12738
CC1=NN(C(C)C)C(C2=CNC(C3=C(F)C=C(Br)C=C3)=N2)=N1	C12740
CC1=NN(C(C)C)C(C2=CN(CCO)C(C3=C(F)C=C(Br)C=C3)=N2)=N1	C12741
CCOC(=O)C(C)(C)N1C=C(C2=CC3=C(C=C2)C2=NC(C4=NC(C)=NN4C(C)C)=CN2CCO3)C=N1	C12742
O=C(CBr)C1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C2(F)F	C12745
CCOC(=O)[C@@H]1[C@H]2C=C[C@H](C2)N1[C@H](C)C1=CC=CC=C1	C12748
CC(C)(C)OC(=O)N1[C@H](C(=O)NC2=C(N)C=C(Br)C=C2)[C@H]2CC[C@@H]1C2	C12749
COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(C2=CC3=C(C=C2)C2=C(C=C(C4=CC5=C(C=C4)N=C([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)N5)C=C2)C3(F)F)N1)C(C)C	C12750
CC1(C)OCC2=C(C=CC([C@@H]3CN(CCCCCCOCCOCC4=C(Cl)C=CC=C4Cl)C(=O)O3)=C2)O1	C12753
N[C@@H](CC1=CC=CC=C1)C1=NC=CS1	C12754
C#CC1=C(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N=CC(Br)=N1	C12889
COC(=O)[C@H](O)C1=C(Cl)C2=CC=CC=C2N=C1C	C12892
O=C(O)C1=C(C(=O)NC[C@H]2CN(C3=CC=C(N4CCOCC4=O)C=C3)C(=O)O2)C=CC=C1	C12756
CC1=NC(CO)=NC2=CC=CC=C21	C12759
CC(C)C[C@H](N)C(=O)[C@]1(C)CO1.O=C(O)C(F)(F)F	C12760
COC(=O)CNC1=C(OC)C=CC(CS(=O)(=O)/C=C/C2=C(OC)C=C(OC)C=C2OC)=C1	C12764
C[C@H](NCC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21.Cl	C12765
COC(=O)CC1=CC=C(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C=C1	C12766
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(C)C	C12772
CCCC[C@H](N)C(=O)OCC1=CC=C([N+](=O)[O-])C=C1.Cl	C12824
CCCC[C@H](NC(=O)[C@@H](N)CC1=CN(C(=O)OC)C2=C1C=CC=C2)C(=O)OCC1=CC=C([N+](=O)[O-])C=C1.Cl	C12825
Cl.O=C(NC1=C(C2=CC=CC=C2)N=NS1)[C@@H]1CCCN1	C12826
COC(=O)C1=CC=CC2=C1C(=O)NC(CCl)=N2	C12828
O[C@H]1CC[C@H](N2C=CC3=C2N=C(Cl)N=C3)CC1	C12864
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O	C12867
CC(CN1CCC(CC2=CC=CC=C2)CC1)C(O)C1=CC=C(O)C=C1	C12773
CC(C)C(=O)OC1=C([C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2)C=C(CO)C=C1.O=C(O)[C@H](O)C1=CC=CC=C1	C12774
O=C(NCC1=CC=CC=C1)[C@H](C1CCNCC1)N1C(C2=CC=CC=C2)=NC2=C1C=CC=C2	C12778
CC(C)(C)OC(=O)N1CCC([C@@H](C(=O)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)N2C(C3=CC=CC=C3)=NC3=C2C=CC=C3)CC1	C12779
CC(C)(C)OC(=O)N1CCC([C@H](CO)N2C(C3=CC=CC=C3)=NC3=C2C=CC=C3)CC1	C12780
CC(C)(C)OC(=O)N1CCC([C@H](COC2=CC=C(C3=NC4=C(C=CC=C4)N3CC3=CC=CC=C3)C=C2)N2C(C3=CC=CC=C3)=NC3=C2C=CC=C3)CC1	C12781
CC(C)(C)C[C@H]1N([C@H](C2=CC=CC=C2)[C@@H](O)C2=CC=CC=C2)[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](C2=CC=CC(Cl)=C2F)[C@@]12C(=O)NC1=C2C=CC(Cl)=C1	C12785
CC1=NC=C(Cl)C=C1NCC1=CC=C(C(=O)O)S1	C12787
CC1=CC(NC2=NC(NC3=C(S(=O)(=O)C(C)C)C=CC=C3)=C(Cl)C=N2)=C(OC(C)C)C=C1C1CCN(C(=O)OC(C)(C)C)CC1	C12788
CC1=C(C2CCNCC2)C=CC(N)=C1	C12791
COC1=CC2=CC=CC(OC)=C2C=C1C[C@@H](CN)C(=O)O	C12807
CCN1C=C(Br)C(C2=CC=C(NC(=O)N(C)C)C=C2)=N1	C12808
COC1=CC2=C(C=C1OC(C)C)[C@H](C1=CC=C(Cl)C=C1)N(C1=CC=C(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)C=C1)C(=O)C2	C12809
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.Cl	C12810
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(C)C	C12811
COC(=O)C1=CC(C2=CC=NN2C)=C(Cl)S1	C12814
COC1=C(C(C2=CC=CC=C2)C(O)C2=CC=CC3=CC=CC=C32)C=C2C=C(Br)C=CC2=N1	C12815
COC1=CC=C(CN2C(=O)[C@@H](N)C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1.Cl	C12817
CC(C)(C(=O)O)C(=O)NCC(F)(F)C(F)(F)F	C12818
COC1=C(CNC(=O)C2=C(C)N([C@@H](C)C3CCNCC3)C3=C2C=CC=C3)C(=O)NC(C)=C1	C12823
CCNC1=C(Br)C=NC(Cl)=N1	C12830
CCN1C(=O)C=CC2=C1N=C(SC)N=C2	C12831
CCN1C(=O)C=CC2=CN=C(NC3=CC=C(N4CCN(C)CC4)C=C3)N=C21	C12834
Cl.NCCNC1=NON=C1C1=NOC(=O)N1C1=CC(Br)=C(F)C=C1	C12837
CC(C)(C)OC(=O)NS(=O)(=O)NCCNC1=NON=C1C1=NOC(=O)N1C1=CC(Br)=C(F)C=C1	C12838
NS(=O)(=O)NCCNC1=NON=C1C1=NOC(=O)N1C1=CC(Br)=C(F)C=C1	C12839
COC1=CC2=C(C=C1)[C@H]1CC[C@]3(C)[C@@H](NCCCCCCN)CC[C@H]3[C@@H]1CC2	C12840
CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCNCC1	C12841
CC(=O)NNC(=O)CBr	C12845
CN(C)C1=CC=C2C(=O)N(CCN)C(=O)C3=C2C1=CC=C3	C12846
C[C@H](NC(=O)OCC1=CC=CC=C1)C1=NC(C2=CC=CC=C2)=CN1	C12847
COC(=O)[C@H](CC1=C(C)C=C(C(N)=O)C=C1C)NC(=O)OC(C)(C)C	C12848
COC(=O)C1=CC=C(/C(=N\C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1	C12850
Cl.N[C@H]1CCN(C(=O)CNC(=O)C2=CC=CC(C(F)(F)F)=C2)C1	C12851
O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@](O)(C3=NC=C(C4=NC=CC=N4)C=C3)CC2)C1)C1=CC=CC(C(F)(F)F)=C1	C12852
CCOC(=O)C1=CC2=CC(Cl)=CC(F)=C2N1	C12855
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NC3=NC4=C(C=CC=C4)S3)=C2C1	C13020
C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@H](O)C1=CC=C(O)C=C1	C13022
C[C@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@H](O)C1=CC=C(O)C=C1	C13023
CCOC(=O)C[C@H]1CC[C@H](O)CC1	C13025
CC1=NN(C2=CC=CC=C2)C(N2CCN([C@@H]3C[C@@H](C(=O)N4CCSC4)N(C(=O)OC(C)(C)C)C3)CC2)=C1	C13131
O=C(NC1=CC=CC=C1)N1C[C@@H](P(C2=CC=CC=C2)C2=CC=CC=C2)C[C@H]1CP(C1=CC=CC=C1)C1=CC=CC=C1	C13132
CC1(C)OB(C2=CC=C(C3=CC=C(Cl)C=C3)S2)OC1(C)C.OB(O)C1=CC=C(C2=CC=C(Cl)C=C2)S1	C12860
CCC1=C2NC(SC)=NC(=O)N2N=C1	C12861
CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1	C12868
Cl.N[C@H]1CC[C@H](C2=CC=CC(F)=C2F)CN(CC(F)(F)F)C1=O	C12869
CC(=O)N/C(=C\C[C@@H](C[N+](=O)[O-])C1=CC=CC(F)=C1F)C(=O)O.CCCCN(CCCC)CCCC	C12871
COC(=O)/C(=C/C1=C(C)C=C(C(N)=O)C=C1C)NC(=O)OC(C)(C)C	C12878
O=C(O)C1=CC2=C(C=C1)C(=O)O[C@]21C2=C(C=C(O)C=C2)OC2=C1C=CC(OS(=O)(=O)C(F)(F)F)=C2	C12879
CCCC[N+](CCCC)(CCCC)CCCC.NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-]	C12880
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1	C12881
O=C(CNC(=O)C1=CC=CC(C(F)(F)F)=C1)N[C@H]1CCN(CC2=CC=CC=C2)C1	C12884
O=C(CNC(=O)C1=CC=CC(C(F)(F)F)=C1)N[C@H]1CCNC1	C12885
O=C(CNC(=O)C1=CC=CC(C(F)(F)F)=C1)N[C@H]1CCN(CC2=CC=CC=C2)C1	C12886
CN(CC1=CC=C(/C=N/O)C=C1)C(=O)OC(C)(C)C	C12887
O=C1NC2=C(F)C=CC=C2[C@@]1(O)C1=CC=CC=C1	C12905
NC1=C(F)C=CC=C1C(=O)C1=CC=CC=C1	C12906
N[C@H]1N=C(C2=CC=CC=C2)C2=CC=CC(F)=C2NC1=O	C12907
CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)(C)C1=CC=CC=C1	C12908
CC1=CC=C(S(=O)(=O)O[C@H]2C[C@@H](OCC3=CC=CC=C3)C2)C=C1	C12993
CC1=CC=C(S(=O)(=O)OCCOCCOCCOCCOC2=CC=C([N+](=O)[O-])C=C2)C=C1	C12995
COC1=C(NC(=O)NC2=C(F)C=CC=C2)C=C(C(F)(F)F)C=C1	C13171
COC(=O)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C	C12911
CCOC(=O)/C(C)=C/[C@@H](NC)C(C)C.Cl	C12912
CC(C)(C)[Si](C)(C)OC[C@H](O)C1=CC(F)=C(Cl)C=C1	C12919
C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)C1=CC=CC=C1	C12920
C#CCO[C@H]1CC2=C(C=CC=C2)[C@H]1NC(=O)[C@H]1CCCN1.O=C(O)C(F)(F)F	C12921
N/N=C1\C=C2CCCC3=C(C=CC=C3)C2=NN1	C12927
CC1=CC=NN1C1=C(Br)C=CC(Cl)=C1	C12932
COC(=O)[C@@H]1C[C@@H](OC(=O)NCCNC(=O)OC(C)(C)C)CN1C(=O)OCC1=CC=CC=C1	C12934
C[C@H](OCC1=CC=CC=C1)C1=C(C2=CC(F)=CC=C2)C(=O)C2=C(C=CC(F)=C2)O1	C12990
NCCOCCOCCOCCOC1=CC=C([N+](=O)[O-])C=C1	C12996
COC1=CC(NCCNC(=O)OC(C)(C)C)=C([N+](=O)[O-])C=C1	C13051
CC(C)(F)C[C@H](NC(=O)OC(C)(C)C)C(=O)O	C12953
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C	C12954
CC1(C)O[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)N(CC3=CC=CC=C3)C[C@H]2O1	C12955
Cl.N[C@H]1CCS(=O)(=O)C1	C12957
COC(=O)[C@H](CC1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1)NC(=O)OC(C)(C)C	C12963
CC1=CC=CC(C#C[C@]2(O)CCC[C@H]3NCC[C@H]32)=C1.Cl	C12966
CC(C)(C)OC(=O)N1C=CC2=C1CCCC2=O	C12967
CC(C)(C)OC(=O)N1CCC2C(O)CCCC21	C12968
CC(=O)O[C@H]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C	C12970
CC(C)(C)OC(=O)NC[C@@]1(C2=CC=CC=C2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C	C12973
CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@](CN)(C2=CC=CC=C2)S1.Cl	C12974
CCOC(=O)CCC1=CC(Br)=C2OCCC2=C1	C12983
CCOC(=O)CCC1=CC2=C(OCC2)C(Br)=C1Br	C12985
Cl.Cl.O=C(NC1=NC2=C(C=CC=C2)S1)C1=C2CNCCC2=CC=C1	C12999
Cl.O=C(N[C@H]1CCNC1)C1CC1	C13000
CNC1=C(C)C=C[N+](CC2=CC=CC=C2)=C1.[Br-]	C13001
CC1=NN=C2CCC(=O)C3=C(C=CC=C3)N12	C13006
CC1=NN=C2CC=C(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N12	C13007
CCC(=O)N[C@H]1CCC2=C(C=CC=C2OC)C1	C13008
CCOC(=O)[C@H](CC/C([O-])=C/[S+](C)(C)=O)NC(=O)OC(C)(C)C	C13009
O=CNC1CC(F)(F)C1	C13012
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O)C1=CC=CC=C1.O=C1CNC[C@H]2C3=C(C=CC=C3)CCN12	C13015
CSC1=CC=C(C(=O)/C=C/C2=CC(C)=C(O)C(C)=C2)C=C1	C13016
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](F)[C@H](N2C=CC(N)=NC2=O)O[C@]1(CCl)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C	C13028
CCCSC1=NC(O)=CC(O)=N1	C13029
CCCSC1=NC(O)=C(/N=N/C2=CC=CC=C2)C(O)=N1	C13030
CN(CCCN)CCCCN(C)CCCN	C13032
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O)C1=CC=CC=C1.O=C1CNC[C@H]2C3=C(C=CC=C3)CCN12	C13037
O=C1CN(CC2=CC=CC=C2)C(=O)C12CC2	C13041
C#CC[C@@](CC1=NC2=C(N)N=C(N)N=C2N=C1)(C(=O)O)C1=CC=C(C(=O)O)C=C1.Cl	C13045
COC(=O)CC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1	C13049
NC1=NC2=C(Br)C=C(Cl)C=C2N1	C13059
CCOC(=O)CC(=O)N1CC[C@@H](C)[C@@H](N(C)C2=NC=NC3=C2C=CN3)C1	C13060
CC(C)(C)OC(=O)COCCCOCCN	C13187
O=C1C=C(C[C@H](NC(=O)C2=C(Cl)C=CC=C2)C(=O)O)C2=C(C=CC=C2)N1	C13242
O=C(O)/C(Br)=C/N1C=NC(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=N1	C13064
NC(=O)/C(Br)=C\N1C=NC(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=N1	C13066
Cl.O=C(NCC1CCNCC1)C1=CC=CC(Cl)=C1	C13067
CN(C(=O)CBr)C1=CC=C([N+](=O)[O-])C=C1	C13071
IC1=NN([C@@H]2CCCCO2)C2=CC=CN=C21	C13074
C[C@H](C(N)=S)[C@@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1.O=S(=O)(O)O	C13093
NCCCNC(=O)C1=CC2=C(C=CC(Cl)=C2)N1	C13094
C1=CC2=C(C=C1)[C@H](C1CCCCC1)CN2	C13095
CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O	C13098
O=CNCC1=NC(Br)=CS1	C13102
CC(C)S(=O)(=O)C1=C(NC2=CC=NC(Cl)=N2)C=CC=C1	C13104
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C1=NOC([C@@H](N)CC(=O)NC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=N1	C13109
COC(=O)[C@@H]1CC2=C(C=C(O)C(O)=C2)[C@H](C2=CN(C(=O)OC(C)(C)C)C3=C2C=C(Cl)C=C3)N1	C13112
CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1	C13117
COC1=C(OC2CCCC2)C=C([C@]2(C#N)CC[C@H](C(=O)O)CC2)C=C1	C13118
ClC1=C(CC2=CC=CC=C2)C=C2C(Br)=CC=CC2=N1	C13203
O=C1NC2=C(C=C(Br)C=C2)C=C1CC1=CC=CC=C1	C13204
ClC1=C(CC2=CC=CC=C2)C=C2C=CC(Br)=CC2=N1	C13206
NC1=CC2=C(C=C1)SC(Cl)=C2Br	C13208
COC1=C([C@H](CBr)OC2CCOCC2)C=CC=C1	C13210
CC1=C(C(=O)O)SC2=C1C(=O)N(C(C)(C)C(=O)OC(C)(C)C)C(=O)N2	C13256
CC(C)(C)OC(=O)N[C@@]1(C#N)CCNC1	C13141
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(C)C	C13143
N=C(N)[C@H](/N=N/C1=CC=CC=C1)C(N)=O	C13147
ClC1=CC(Cl)=NC(/C=C/C2=CC=CC=C2)=N1	C13149
COC1=C([C@H](CBr)OC2CCOCC2)C=CC=C1	C13155
CCOC1=C(OC)C=CC([C@H](CS(C)(=O)=O)N2C(=O)C3=C(C2=O)C(NC(C)=O)=CC=C3)=C1	C13157
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	C13160
C[C@H](SC1=NC2=C(SC(N)=N2)C(Cl)=N1)C1=CC=CC=C1	C13164
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NN1CC12CC3CC(CC(C3)C1)C2	C13179
COC1=C(NC(=O)NC2=C(OC)C=CC(C(F)(F)F)=C2)C=C(C(F)(F)F)C=C1	C13181
C=CC1CC1(NC(=O)OC(C)(C)C)C(=O)OCC	C13185
NC(=O)C[C@@H]1O[C@@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1	C13186
NC1=NCC(=O)S1	C13281
COC(=O)OC1=CC(NC(=O)C2=CNC3=C(C=CC=C3)C2=O)=C(C(C)(C)C)C=C1C(C)(C)C	C13190
CC1OC2(CS1)CN1CCC2CC1.Cl	C13192
CC(C)(CO)N1C=NC([N+](=O)[O-])=C1	C13193
COC(=O)C1=CC(C2=CC(C#N)=CC=C2)=CC(CO)=C1	C13198
C1=CC=C(CN2CC3CC(C2)C2=C3C=CC=C2)C=C1.Cl	C13199
CC(C)N(CC[C@@H](C1=CC=CC=C1)C1=C(OCC2=CC=CC=C2)C=CC(C(=O)O)=C1)C(C)C	C13214
COC(=O)C1=CN2N=C(C3=CC(C)=C(F)C=C3)C=C(C(C)C)C2=N1	C13221
CC(=O)OCCCCCCOC1=CC=C(O)C=C1	C13222
C#CC[C@@](CC1=NC2=C(N)N=C(N)N=C2N=C1)(C(=O)O)C1=CC=C(C(=O)O)C=C1.C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1	C13224
Cl.NC1CCN2C(=O)NC3=C2C(=CC=C3)C1O	C13225
C[C@H](NC1=NC=NC2=C1N=CN2C1CCCCO1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1	C13226
CC(C)CC1=CC=C([C@@H](C)C(=O)NS(C)(=O)=O)C=C1	C13227
Cl.Cl.NCC1=CC2=C(C=C1)N=CS2	C13234
C1CCC(NC2CCCCC2)CC1.CC(C)(F)C[C@@H](N[C@H](C1=CC=C(C2=CC=C(S(C)(=O)=O)C=C2)C=C1)C(F)(F)F)C(=O)O	C13238
C=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2C1	C13239
O=P1(O)OC2=C(C3=CC=CC=C3C=C2C2=C3C=CC=CC3=CC3=CC=CC=C32)C2=C(O1)C(C1=C3C=CC=CC3=CC3=CC=CC=C31)=CC1=CC=CC=C12.[*]	C13304
CC1=CC=CC(F)=C1C(=O)N1CCC[C@@H](C(=O)O)[C@H]1C1=CC=C(NC2CCCC2)C=C1	C13311
C[C@@H]1CO[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	C13445
CC(C)C[C@H]1CNC2=C(C=C(C(F)(F)F)C=C2)O1	C13508
COC(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C1CCCCC1	C13247
C#CC[C@H](CC1=NC2=C(N)N=C(N)N=C2N=C1)C1=CC=C(C(=O)[O-])C=C1.[Na+]	C13248
CCOC(=O)[C@@H](C)C[C@H](N)CC1=CC=C(C2=CC=CC=C2)C=C1.Cl	C13249
C[C@H](C(=O)OCC1=CC=CC=C1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C	C13250
COC1=C([C@@H](C2=CC=CC=C2)[C@](O)(CCN(C)C)C2=CC=CC3=CC=CC=C32)C=C2C=C(Br)C=CC2=N1.COC1=C([C@H](C2=CC=CC=C2)[C@@](O)(CCN(C)C)C2=CC=CC3=CC=CC=C32)C=C2C=C(Br)C=CC2=N1	C13251
CCOC1=CC=C(C(O)C2=C(Cl)C=CC([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)=C2)C=C1	C13253
O=C(N1CC2CC(C1)C1=C2C=CC([N+](=O)[O-])=C1)C(F)(F)F	C13261
CN1C(=O)C(F)=CC=C1C#N	C13268
CCOC(=O)C1=C(N)C(N)=C(F)C=C1	C13269
COC(=O)C1=C(N)C(N)=C(C)C=C1C	C13271
C[C@@H](OCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H](O)CCC[C@]21C	C13290
CC(=O)N1CC2CC(C1)C1=CC([N+](=O)[O-])=C([N+](=O)[O-])C=C12	C13293
O=C(CCCl)OCCCCCCOC1=CC=C(O)C=C1	C13294
CC(C)(C)[S@](=O)N1CCC[C@H]1C1=C(F)C=CC(F)=C1	C13297
CC(=O)N1CC(C)(C)C2=C1C=C(NC(=O)C1=C(NCC3=CC=NC=C3)N=CC=C1)C=C2	C13315
CC(=O)N1CC(C)(C)C2=C1C=C(NC(=O)C1=CC=CN=C1Cl)C=C2	C13316
C[C@H](O)C1=CC2=C(C=C1)C(C)(C)CCC2(C)C	C13319
C[C@H](O)C1=CC2=C(C=C1)C(C)(C)CCC2(C)C	C13320
CCOC1CCC(C(=O)O)CC1	C13326
COC(=O)[C@]1(CCl)CCCN1C(=O)OC(C)(C)C	C13422
CC(C)(C)OC(=O)N1CCC[C@]1(CO)CCl	C13423
COC1=CC(C#N)=CC2=NC=CC=C12	C13407
C[C@@H](OCCC(C)(C)O[Si](C)(C)C)[C@@H]1CC[C@@H]2C(=O)CCC[C@]21C	C13498
Cl.NC(=O)[C@@H](N)CCC(F)(F)F	C13435
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)CCCCl	C13446
C[C@H]1CO[C@@H](CO)CN1C(=O)OC(C)(C)C	C13447
COC1=CC(Br)=CC2=CC=NC=C21	C13452
NC1=CC(O)=C2C=C3OCCOCCOCCOC3=CC2=N1	C13458
CC(C)(C)OC(=O)N1CCN(C(F)(F)F)CC1	C13463
COC1=CC=C2N=CC(C(C)=O)=C(O)C2=N1	C13479
CCOC(=O)CCCN(C(=O)OC)C1=C(C)C=C(C)C=C1	C13481
CCOC1=C(N)C=CC(N2CCC(O)CC2)=C1.Cl	C13485
C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	C13487
CCC1=C(Cl)N=C(Br)C(C#N)=N1	C13491
CN1CCN(C2=CC3=C(C=C2)N=C(C2=CC(N)=C(N)C=C2)N3)CC1.Cl.Cl.Cl	C13607
C[Si](C)(C)CCOCN1C=CC2=C1N=CC(C(=O)O)=C2Cl	C13608
COC(=O)C1=C(F)C=CC([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)=C1	C13512
COC1=CC=CC2=C1CC[C@H](NCCC1=CC=CS1)C2.Cl	C13513
COC1=C2CC[C@H](O)CC2=CC=C1	C13516
CCC(=O)N[C@H]1CCC2=C(C=CC=C2OC)C1	C13517
CC(C)(C)OC(=O)NCCCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	C13519
Cl.O=C(O)C1=C2C=CN=C(Cl)C2=CC=C1	C13571
CN(C)C(=O)C1=C(Br)C=CC(C#N)=C1	C13522
O=C1C=C(Cl)NC2=N[C@H](C(F)(F)F)CCN12	C13524
O=C1C=C(Cl)NC2=N[C@H](C(F)(F)F)CCN12	C13525
C[C@@H]1COCCN1C1=CC(=O)N2CC[C@@H](C(F)(F)F)N=C2N1	C13526
O=C1C=C(Cl)NC2=N[C@H](C(F)(F)F)CCN12	C13527
ClC1=C2C=C(CBr)C=CC2=NC=N1	C13563
CC(C)(C)OC(=O)N1CC[C@H](C2=CC(C(=O)O)=C(F)C=C2)[C@@H](CO[Si](C)(C)C(C)(C)C)C1	C13613
O=C1NC=NC2=C1N=C(Cl)N=C2	C13616
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(C(=O)O)=CS1	C13617
CC1=CC=C(C)C(N)=C1C	C13892
CC(C)(C)OC(=O)NC12CC(CC#N)(C1)C2	C13647
CC(C)(C)OC(=O)N1CCCC12CN(CC1=CC=CC=C1)C2.CC1=CC=C(S(=O)(=O)O)C=C1	C13648
CC(C)(C)OC(=O)N1CC(=O)C[C@H](O)C1	C13650
C=CCCC(=O)OC1=CC=C(C2=CC=CC=C2)C=C1	C13712
CC1=CC=CC(C2=CC3=CC=C(N(C)C)C=C3C(NC(=O)CCC(=O)O)=N2)=C1	C13719
CCOC(=O)CC12CC(NC(=O)OC(C)(C)C)(C1)C2	C13699
COC(=O)[C@H]1CC[C@@H](C)NC1.O=C(O)[C@@H](O)[C@H](O)C(=O)O	C13702
Cl.N[C@@H](CC1=CNC2=C(Cl)C=CC=C12)C(=O)O	C13703
CC(C)(C)OC(=O)N1CCC[C@H](OS(=O)(=O)C2=CC=C(Br)C=C2)C1	C13704
COC1=C2CC[C@@]3(CC2=C(OC)C=C1)NC(=O)NC3=O	C13708
CCCCCCNC(=S)NC1=CC=C(C2=CC=CC=C2)C=C1	C13710
C=CCCC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1	C13711
S=C(NCC1CCCCC1)NC1=CC=C(C2=CC=CC=C2)C=C1	C13726
C=CCOC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1	C13727
C=COCCONC(=O)C1=CC2=C(N=CN2C)C(F)=C1NC1=C(F)C=C(Br)C=C1	C13731
CC1=CC2=C(NCCC[C@@H]2N(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C2=NN(C)N=N2)C(C)=C1	C13736
O=C(NC[C@H]1CN(C2=CC=C(N3CCOCC3=O)C=C2)C(=O)O1)C1=CC(Cl)=C(Cl)S1	C13738
Cl.O=C(OCC1=CC=CC=C1)N1CCNCC12CC2	C13740
COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1C1=NC=C(C2=CC3=C(C=C2)C2=C(C=C(C4=CC5=C(C=C4)N=C([C@H]4N[C@@H]6CC[C@H]4C6)N5)C=C2)C3(F)F)N1)C(C)C.Cl	C13742
CCOC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OCC1=CC=CC=C1	C13744
CC(=O)C1=C(C)OC2=C1C=CC=C2N	C13756
CCC1=CN=C(C(=O)COC2=CC=C(C[C@@H]3SC(=O)NC3=O)C=C2)C=C1	C13760
COC1=CC(C(=O)O)=C([N+](=O)[O-])C=C1OCCCOC1=C(OC)C=C(C(=O)O)C([N+](=O)[O-])=C1	C13785
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@@H](C(=O)O)C1	C13841
CCOC(=O)[C@@H]1[C@H]2C(=O)CC[C@H]21	C13843
CC(C)(C)OC(=O)N1CCN2C(=NC(Br)=C2C(=O)O)C1	C13847
CC1=NC(Br)=C2C(=O)N=CNN12	C13848
CC(C)(C)OC(=O)CC[C@H](NC(=O)CC[C@@H](N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	C13803
O=C(O)C1=C(C2=NC=CC=N2)C=CC=C1	C13807
CC1(C)OB(C2=CC=C(OC3=CC=C(F)C=C3)C=C2)OC1(C)C	C13808
COC1=CC(OC)=C(CN(C2=NC=CS2)S(=O)(=O)C2=CC(Cl)=C(F)C=C2F)C=C1	C13809
NC[C@H](O)C12CC3CC(CC(C3)C1)C2	C13813
COC1=CC(OC)=C(CN(C2=NC=C(F)S2)S(=O)(=O)C2=CC(Cl)=C(F)C=C2F)C=C1	C13820
Cl.O=C1NCC[C@@]12CCCN2	C13823
Cl.Cl.NCCC1=CNC(C2=NC=CC=C2)=N1	C13824
CCC1=CN=C(N)S1.Cl	C13826
Cl.Cl.NC/C=C\CN	C13830
BrC1=CC2=C(C=C1)C1=C(CNCC1)N2	C13831
COC(=O)C1CN(CC2=CC=CC=C2)CC1N.Cl	C13838
CC1=NC=CC(C2=NN(C(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC(Cl)=NC=C32)=C1	C13849
CC(C)(C)OC(=O)N1C2CCC1CC1(CNC1=O)C2	C13852
CC(C)(C)OC(=O)N1CC[C@](CC2=CC=CC=C2)(C(=O)O)C1	C13853
CC(C)(C)OC(=O)N1CCNC2(CCCC2)C1	C13854
O=C(O)C1=CC(Br)=C(C(=O)O)C=C1F	C13873
FC(F)(F)OC1=NC=C(I)C=C1	98367
O=C1NN=CC2=CC(Br)=NC=C12	P17911
NC1(C(=O)O)CC2(CCCCC2)C1	P18039
NC1(C(=O)O)CC2(CCCC2)C1	P18040
CC(C)(C)OC(=O)N1C[C@H](O)C1(C)C	P18041
CC(C)(C)OC(=O)N1C[C@H](O)C1(C)C	P18042
CC(C)(C)OC(=O)NCCCCCCCCBr	98403
CO[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C.CO[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P17899
CO[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C.CO[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P17900
CO[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C.CO[C@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P17901
O=C1NC=CC2=C1C=NN2CC1=CC=CC=C1	P17944
Cl.FC(F)(F)[C@@H]1CNCCO1	P17948
CC(C)(C)OC(=O)N[C@]1(C)CC[C@H](N)CC1	P17951
CC1=NSC(C(=O)[O-])=N1.[Na+]	P17953
CC1(C)OC[C@@H]1N	P17954
CC(C)(C)OC(=O)N1CCC[C@]12CCCC2=O	P17955
CC(C)(C)OC(=O)NC1CC2CCC1N2	P17956
CC(=O)C1CC(O)C1	P17906
COC(=O)[C@@H]1C[C@H](CO)CN1C(=O)OC(C)(C)C	P17907
CC(C)(C)OC(=O)N1C2CCCC1C(=O)C2	P17908
O[C@H]1CCOC[C@@H]1F	P17909
CC(C)(C)OC(=O)N1CCC2(CCC(=O)CO2)CC1	P17916
C[C@@H]1C[C@@H]1C(=O)O	P17920
OCC1=CC(Br)=C(F)N=C1	P17928
CC[C@H]1[C@@H](CO)NC(=O)[C@H]1F	P17957
CC1=CC=C(C2(C(=O)O)COC2)C=C1	P17960
CC1=CC=CC(C2(C(=O)O)COC2)=C1	P17961
COC1=NC=C(Cl)C=C1NC1=NC=C(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C=C1	P17968
COC1=NC=C(Cl)C=C1NC1=NC=C(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C=C1	P17969
O=C1NC2=C(C(=O)[C@@]1(F)C1=CC=CC=C1)C(C1=CC3=CC=CC=C3C=C1)=C(F)S2	P17970
CC(C)(C)OC(=O)NC1CC1N	P17973
C=CC(=O)N1CCC[C@@H]1CN1C(NC(=O)C2=CC=C(C(F)F)S2)=NC2=C1C=CC(CN[C@H](C)C(C)(C)C)=C2	P17975
C[C@H]1CNCC2=C1C=C(Br)C=C2.Cl	P17979
ClC1=CC=C(Br)C2=NC=CN=C12	P17980
C[C@H]1C(B2OC(C)(C)C(C)(C)O2)=CCCN1C(=O)OC(C)(C)C	P17984
C[C@H]1CCC(B2OC(C)(C)C(C)(C)O2)=CN1C(=O)OC(C)(C)C	P17985
C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	P17987
CCCN1C(=O)C=C(N)N(CC)C1=O	P17988
CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](F)C1	P17990
CC1=NC=CC2=C1C(=O)N(C)C1=C2C=CC(Cl)=C1	P17995
CC1=NC=CC(C2=C(F)C=C(Cl)C=C2)=C1C(=O)O	P17996
Cl.NC1CCC2(CNC(=O)C2)C1	P18004
C[C@H](C(=O)NC1=CC=C(Cl)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1	P18014
CC(C)(C)[Si](C)(C)O[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1O	P18015
Cl.NC1C2CCCCC12	P18023
CC(C)(C)OC(=O)N1CCN2C(Br)=NC(C(=O)O)=C2C1	P18026
Cl.FC12CCC1CNC2	P18031
O=C(O)C1=CN2C=C(F)C(Cl)=CC2=N1	P18033
C[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	P18053
ClC1=C(I)SC=C1	P18106
O=C(O)C1=CC2=CC(Cl)=CN2C=N1	P18180
O=C1NC[C@@]12CCCNC2	P18250
CC(C)(C)OC(=O)N1CCC2=C(C=CN=C2Cl)C1	P18100
CC(C)(C)OC(=O)N1CCC[C@H](NC2COC2)C1	P18055
CN1CCC(CO)(C(F)(F)F)CC1	P18058
O=C1CCCC12CCCC2=O	P18060
CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1N	P18140
O=C(O)C1=CN2C=C(F)C(Br)=CC2=N1	P18141
CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(C#N)C1	P18232
CO[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C.CO[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P18233
CC(=O)C1CCCCC1F	P18235
BrC1=CC=C([C@@]23CNC[C@@H]2C3)C=C1	P18066
O=C1NC2=C(C=CC=N2)C12CCCC2	P18069
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)OC1	P18071
N#CC1=C2C=C(C(F)(F)F)C=CC2=NC=N1	P18072
C[C@H]1CC[C@@H](CO)CC1	P18076
O=C1N[C@H](C(F)F)CO1	P18079
NC(=O)C12CC(C3=CC=CC=C3)(C1)C2	P18080
CC1=CC([S@@+](CF)C2=CC=CC=C2)=C(C)C(C)=C1C.F[B-](F)(F)F	P18084
NC1=CC2=C(C=C1)B(O)OC2	P18085
CC(C)(C)OC(=O)N1CCN([C@H]2CCCC[C@@H]2N)CC1	P18091
CC1=CC2=CN=C(Cl)C=C2N1	P18094
CC1=C(C2=CC(C(F)(F)F)=NC=C2)C=NC([C@@H](C)NC2=NC(N3C(=O)OC[C@H]3[C@@H](C)F)=CC=N2)=C1	P18095
CCOC(=O)C1(C(F)(F)F)CC1C(=O)O	P18101
COC(=O)C1=CN2C=C(Cl)C=C2C=N1	P18103
CS(=O)(=O)C1=CC2=C(C=C1)NC=C2C(=O)O	P18265
O=CC1=C(C(F)(F)F)C=NC2=C1C=CN2	P18268
CCOC(=O)C1=C(Cl)C2=C(N=C1Br)NC=C2	P18269
CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C(F)F)C2	P18109
CCOC(=O)C1=CC2=C(C=CC(Br)=C2)N=C(N)C1	P18113
CCOC(=O)C#CC1COC1	P18115
CSC1=NC=C2C=NC=C(I)C2=N1	P18117
CC(C)(C)OC(=O)N1C[C@H](S)C[C@H]1C(=O)O	P18120
CC(=O)OC1=C(Cl)C=C([N+](=O)[O-])C(C)=C1	P18121
O=C(O)CC1=C2C=CC=CN2C=N1	P18123
O=C(O)C1=NN(C2=CC=CC=C2)C2=C1C=CC=C2	P18124
O=C(O)C1=CC=NN1CCC(F)F	P18127
O=C(O)C1=CC=C2C(=N1)C=CC(Cl)=C2F	P18131
O=C(O)C1=CC=C2C=C(Cl)C(F)=CC2=N1	P18133
COC1=CC2=C(B3OC(C)(C)C(C)(C)O3)C=CN=C2C=C1F	P18136
COC(=O)[C@]1(F)C[C@H](N)C1.Cl	P18138
COC(=O)[C@]1(F)C[C@@H](N)C1.Cl	P18139
CC1=C(C(=O)O)N=C(Cl)N=C1	P18151
ClC1=NC2=C(NC(Br)=C2)C(Cl)=N1	P18152
C[C@H]1CC[C@H](CO)CN1C(=O)OCC1=CC=CC=C1	P18156
CC(C)(CO)C1=CN=C(Br)C=C1	P18158
C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	P18162
C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	P18163
Cl.Cl.NC1=NC=CC2=C1CC[C@@H]2N	P18166
CC(C)(C)OC(=O)N1CCC2CC1CN2	P18172
O=C(O)[C@]1(O)C[C@@H](O)C1	P18177
O=C(O)C1=CN2C=C(Cl)C=C2C=N1	P18179
NC1=C2C=C(Cl)N=CC2=NC=N1	P18184
O=C(O)[C@H]1NC[C@H]2CC[C@H]21	P18187
CC1=C(I)C(S(N)(=O)=O)=NN1C	P18195
COC(=O)C1=C2C(Cl)=C(Br)C=CN2N=C1	P18197
OCC1(C2=CN=C(Cl)C=C2)CCC1	P18199
NCC1=CC(OC2CC(F)(F)C2)=CN=C1	P18201
O=C(O)[C@H]1NCCC[C@H]1C(=O)O	P18204
COC(=O)[C@@H]1C[C@@H](S)CN1.Cl	P18209
CCOC(=O)[C@H]1CNC[C@@H]1O	P18210
CC1=C2C(N)=CC=CC2=NN1C	P18211
CC1=C2C=CC=C(N)C2=NN1C	P18212
O=C(O)C1=CN=C2C=C(Cl)C=CC2=N1	P18215
CN1C(C(F)(F)F)=NC(C(=O)O)=C1NC(=O)OC(C)(C)C	P18218
CC1=CN2C(=O)NC(Cl)=CC2=N1	P18224
Cl.ClC1=NC=C(OC[C@H]2CCN2)C=C1	P18225
COC(=O)C1=NC=C2C=C(Cl)C=NC2=C1	P18226
CCOC(=O)C1=C(C)C=C2CCCN21	P18227
FC(F)(F)CC1=C(Br)C=CC=N1	P18228
Cl.Cl.O[C@H]1CNCCC12CCN(CC1=CC=CC=C1)CC2	P18229
CC1=CC2=C(C=C(C(F)(F)F)C=C2)C(=O)N1	P18236
CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1CF	P18241
CC(C)(C)OC(=O)N[C@H]1CCC12CCNCC2.Cl	P18242
FC1=CN=C(Br)C2=C1NC=C2	P18244
C1CC2(CNC2)S1.Cl	P18246
COC1=CC=CC(NC2(C(=O)O)CC2)=C1	P18272
COC1(CCO)COC1	P18427
C[C@H]1C(O)CN1C(=O)OC(C)(C)C	P18429
C[C@@H]1NC[C@@H]1O.Cl	P18431
C[C@@H]1NC[C@@H]1O.Cl	P18432
C[C@@H]1NC[C@@H]1O.Cl	P18433
CC(C)C1OCC1N	P18436
O=C1CCC2(CC1)CC(C(=O)O)C2	P18437
O=C(O)[C@H]1C[C@H]1C(F)(F)F	P18273
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C1=CC=C(C(=O)O)S1	P18276
NS(=O)(=O)C1(C2=CC=CC=C2)CC1	P18277
COC(=O)[C@@H]1[C@H](O)CCN1C(=O)OC(C)(C)C	P18281
C=CC1=C(Cl)C=CN=C1O	P18283
C[C@@H]1CC[C@H](O)CN1C(=O)OCC1=CC=CC=C1	P18291
O=C(O)[C@H]1NC[C@@H]2CC[C@H]12	P18292
CC1(N2C=C(Br)C=N2)CC1	P18293
CNC(=O)[C@@H](N)CCC1CCCCC1	P18305
C[C@H]1CC(=O)CC[C@@H]1C(=O)O	P18309
O=C1CCCCC(O)=C1F	P18326
CCCOC1=CC=C(CCC2=NC3=C(C=CC(C4=C(C)ON=C4C)=C3)N2CCN2CCOCC2)C=C1.Cl	P18327
CC(C)(C)OC(=O)N1C2CCC(CN)C1CC2	P18329
CC1=CC=C(S(=O)(=O)OCC2(F)COC2)C=C1	P18330
OC1CC(C(F)F)C1	P18339
CN1N=CC2=C1C(C(=O)O)=CC(Br)=N2	P18342
COC(=O)C1=CC2=CC([N+](=O)[O-])=CN=C2O1	P18348
O=C(O)C1=CC(F)=C2NN=CC2=C1	P18350
CC1=CN2C(Cl)=NC(Cl)=CC2=N1	P18403
COC(=O)C1=C(C)C2=C(C=C1)NN=C2	P18406
NC1CN(CCO)C1	P18354
COC(=O)C1CN(C(=O)OC(C)(C)C)C1C	P18356
O=C(O)C12C3C4C5C3C1C5C42	P18358
COC(=O)C1=CC(C(F)(F)F)=CN1	P18361
O=C1CCC(C2=CC=CC=C2)(N2CCC2)CC1	P18365
CC(C)(C)OC(=O)NC12CC(CC(=O)O)(C1)C2	P18366
Cl.NCC12CC(C(=O)O)(C1)C2	P18367
CN1CCC12CCNCC2.Cl.Cl	P18368
CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1	P18371
CC1=CC2=C(N=C1Cl)NC=C2	P18373
FC(F)(F)C1=C2C=CNC2=NC=C1	P18376
OC1=CC(Cl)=C2C=CNC2=N1	P18377
FC1=NN2C=CC(Cl)=NC2=C1I	P18379
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[C@@H]2O	P18381
CC(C)(C)OC(=O)NCC1CC2(CNC2)C1.Cl	P18468
O=C(O)C1(CC(F)(F)F)CCC1	P18469
CC(C)(C)OC(=O)N1CC2CC(=O)CC21	P18470
O=C(O)CC(F)F	P18472
CC1(C(F)F)CNC1.Cl	P18474
CC(C)(C)OC(=O)NC1(CO)CNC1.Cl	P18475
CC1=CNC2=CC(C(=O)O)=CC(Br)=C12	P18384
CNCC1=CN(C)C=N1	P18387
CC1=C(C(=O)O)C2=C(C=C1)C=NN2	P18409
O[C@H]1CC[C@H](O)C1	P18410
O[C@H]1CC[C@H](OCC2=CC=CC=C2)C1	P18411
CCC1=C(C#CC2=CN3N=CC=C3N=C2)C=C(C(=O)O)C=C1	P18419
CC(C)N1C=C(C(=O)O)C(=O)N(C2=CC=C(F)C=C2)C1=O	P18421
CC(C)(C)OC(=O)NC12CC(O)(C1)C2	P18442
COC(=O)C12CC(O)(C1)C2	P18443
OC12CC(O)(C1)C2	P18445
OC12CC(C(F)(F)F)(C1)C2	P18446
Cl.O=C(O)C12CCC(CC1)NC2	P18589
CC(C)(C)OC(=O)N1CCC2(CNC2)[C@@H](F)C1	P18447
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1N	P18453
C[C@@H]1[C@@H](N)CN1C(=O)OC(C)(C)C	P18457
C[C@@H]1[C@@H](N)CN1C(=O)OC(C)(C)C	P18458
C[C@H]1NC[C@@H]1NC(=O)OC(C)(C)C	P18461
Cl.NCC1CCC1F	P18462
C1CNC2(CN1)COC2.Cl.Cl	P18465
C[C@H]1C[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	P18481
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1.Cl	P18482
CC1(C)[C@@H](O)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	P18484
CC1(C)[C@@H](O)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	P18485
Cl.NCC1(F)CC1	P18486
CN1CCN(CCN2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)CC1	P18491
N#C[C@H]1C[C@H](O)C1	P18493
CC[C@]1(CN)CCN1C(=O)OC(C)(C)C	P18494
CC(C)(C)OC(=O)N[C@H]1CCC12CNC2	P18496
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)C1	P18587
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CCN	P18508
CCOC(=O)C1CC2CC(NC(=O)OC(C)(C)C)CC(C1)N2	P18513
CN1C=NC(CN)=N1.Cl	P18523
CC1(O)CC(CN)C1.Cl	P18525
C[C@]1(O)C[C@H](CN)C1.Cl	P18526
CC1(C)OCCO[C@@H]1C(=O)O	P18644
O=C(O)C1=CC=CC(C(F)F)=N1	P18646
FC1(F)CC2(CCN2)C1.FC1(F)CC2(CCN2)C1.O=C(O)C(=O)O	P18528
Cl.NC[C@H]1CCC(F)(F)C1	P18530
C[C@]1(O)C[C@H](C(=O)[O-])C1.[K+]	P18532
C=CC(=O)N[C@@H]1CCOC[C@@H]1NC1=NC=C2C=C(C3=C(Cl)C(OC)=CC(OC)=C3Cl)C=CC2=N1	P18697
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O	P18698
Cl.O=C(O)[C@H]1NCC[C@H]2C[C@@H]12	P18668
CN(C)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1	P18671
Cl.O=C(NC12CCNCC1C2)OCC1=CC=CC=C1	P18672
Cl.OC1CCC2(CCCN2)CC1	P18544
C[C@@H]1CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1	P18548
N#CC1(F)CC(O)C1	P18550
CC(C)(C)OC(=O)NC1CC2(CCNC2)C1.Cl	P18554
CC(C)(C)OC(=O)NC1CC2(CCNC2)C1.Cl	P18555
COC(=O)[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C	P18556
C[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C	P18557
C[C@H]1CC[C@H](N)CN1C(=O)OCC1=CC=CC=C1	P18561
C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1	P18562
C[C@H]1CC[C@H](CO)CN1C(=O)OC(C)(C)C	P18563
C1CC2CSCC1N2.Cl	P18566
CC(C)(C)OC(=O)N1CC(=O)C2CN(CC3=CC=CC=C3)CC21	P18577
NC1=NC2=C(S1)C(=O)COC2	P18579
CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H](N)C[C@H]2C1	P18583
O=CC12CC(NC(=O)OCC3=CC=CC=C3)(C1)C2	P18590
N#C[C@H]1C[C@@H]2CC[C@H](C1)O2	P18593
O=C(O)C12CCC(Br)(CC1)C2	P18594
CC(C)(C)OC(=O)C12CC(N)(C1)C2	P18595
CC1=CN=NC=C1N.Cl	P18597
Cl.NCC1CC2(CCOCC2)C1	P18599
CC12CC(=O)CCC1C2(F)F	P18604
CO[C@H]1CCC[C@@H](O)C1	P18693
Cl.NC1CCC2C(C1)C2(F)F	P18614
Cl.OC1(C(F)F)CC2(CNC2)C1	P18618
Cl.O=S1(=O)CCC2(CCNCC2)CC1	P18619
Cl.FC(F)C12CCNCC1C2	P18621
FC1(F)CN[C@@H]1C1=CC=CC=C1	P18625
Cl.OC[C@@H]1NCCC1(F)F	P18630
Cl.O=C(O)C1NCCC2CC21	P18662
CCOC(=O)[C@@H]1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)CN1	P18663
COC(=O)C12CC1CCCN2C(=O)OC(C)(C)C	P18664
Cl.O=C(O)C12CC1CCCN2	P18665
CC(C)(C)OC(=O)N1CCC2(C=O)CC2C1	P18676
CC(C)(C)OC(=O)N1C[C@@H]2CCNC[C@@H]2C1	P18677
CC(C)(C)OC(=O)N1C[C@@H]2CCNC[C@@H]2C1	P18678
CN[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1	P18740
Cl.Cl.FC1(F)CN(CC2=CC=CC=C2)C2(CCNCC2)C1	P18681
CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](O)C1	P18682
CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](O)C1	P18683
COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C	P18684
CO[C@H]1CCN[C@@H](C)C1.Cl	P18685
CC(C)(C)OC(=O)N1CCC2(CCNCC2)[C@@H](O)C1	P18686
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O	P18687
O=CC1=CSC=C1OCC1=CC=CC=C1	P18690
COC1=C([N+](=O)[O-])N(C)N=C1	P18701
C[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C	P18704
COC(=O)C1CCC(CCCO)N1C(=O)OC(C)(C)C	P18709
C=CCC1CCC(C(=O)OC)N1C(=O)OC(C)(C)C	P18710
C[C@H]1CC[C@@H](C(=O)O)N1C.Cl	P18711
C[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C	P18714
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1	P18715
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](C(F)(F)F)C1	P18717
C[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C	P18719
C[C@H]1CNC[C@@H]1CO.Cl	P18720
Cl.OC[C@H]1CNC[C@@H]1C(F)(F)F	P18721
Cl.N[C@H]1CCC[C@@H]1F	P18723
CC(C)(C)OC(=O)N1CCO[C@H]2CNC[C@@H]21	P18730
Cl.FC[C@H]1CCNC1	P18732
COC(=O)[C@H]1C(=O)CC(C)(C)N1C(=O)OC(C)(C)C	P18738
CC(C)(C)OC(=O)N1C[C@@H](CN)C[C@H]1C(=O)O	P18747
Cl.NCCCCN1C=C(C2=CC=CC([N+](=O)[O-])=C2)N=N1	P18758
COC1=C2C=C(C)NC2=C(F)C=C1	P18929
COC(=O)C1=C2SC(C(C)(C)C)=CC2=NC=N1	P18930
O=C1C=C(N2CCOCC2)OC2=C1SC=C2Br	P18809
CC(C)(C)OC(=O)N1CC[C@H](C2=CC=CC=C2)[C@@H](C(=O)O)C1	P18812
O=C1C[C@H](C2=CC(F)=C(F)C(F)=C2)CN1	P18813
OC12CCC(CC1)CC2	P18814
OC12CCC(O)(CC1)CC2	P18815
CC(C)(C)OC(=O)NC1CNCC(C(F)(F)F)C1	P18764
ClC1=CN2N=CC=C2C=C1Br	P18765
Cl.FC(F)(F)[C@@H]1CNCCO1	P18766
CCOC(=O)N1CCN(C2=NC=C(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)C=C2)CC1	P18772
COC12CC(C(=O)O)(C1)C2	P18779
CC(C)(C)OC(=O)N1CC2(CO)CC1C2	P18780
CCOC(=O)C[C@H]1CCC2=C1NC1=C2C=C(O)C=C1	P18783
Cl.N[C@H](C(=O)O)C1CCC(F)(F)CC1	P18788
CC(C)(O)[C@H]1C[C@H](C(=O)O)C1	P18789
O=C(O)[C@@H]1CCO1	P18794
O=C(O)[C@@H]1CCO1	P18795
CC(C)(C)OC(=O)N[C@H]1CCNCC1(C)C	P18798
O=C(O)C1=CN(C(F)(F)F)N=C1	P18818
BrC1=C2CCNC2=CN=C1	P18819
ClC1=NC=CC2=C1NCC2	P18820
O=C(O)C1=CN2N=CC(Cl)=CC2=N1	P18850
CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2C(=O)O)CC1	P18851
FC1=NN2C=CC(Cl)=NC2=C1	P18853
CN1CCNCC(F)(F)C1.Cl.Cl	P18855
CN1CC=C(B2OC(C)(C)C(C)(C)O2)C1	P18859
ClC1=NC=C2C=NC=C(I)C2=N1	P18860
COC(=O)C1(F)CC(O)C1	P18861
CC1(C)CC2=C(C=O)C=CC=C2O1	P18826
CC(C)(C)OC(=O)N1CCOCC12CNC2	P18827
NC1=CN([C@H]2CC[C@H](O)CC2)N=C1	P18831
ClC1=C2C(Br)=COC2=NC=N1	P18836
CC1=C(Br)C2=C(Cl)N=CN=C2S1	P18837
CC(C)(C)C12CC(C(=O)O)(C1)C2	P18839
CS(=O)(=O)C12CC(C(=O)O)(C1)C2	P18840
CC(C)(C)OC(=O)NC1CCC2(CCNCC2)CC1	P18933
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1N	P18938
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](N)C1	P18941
CC1CC(CO)CC(C)N1.Cl	P18952
C#C[C@H]1CC[C@H](O)CC1	P18956
CC(C)(C)OC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCCN	P18943
O=C1N[C@H](C(F)F)CO1	P18843
CC(C)(C)OC(=O)N1CCC2(CCC[C@H](N)C2)CC1	P18844
CC(C)(C)OC(=O)N1CC[C@@]12CCNC2=O	P18846
FC(F)C1=CNN=C1	P18863
CC(C)(C)OC(=O)N1CCC(C2CNC2)CC1	P18864
COC(=O)C12CCC(CO)(CC1)C2	P18865
CN1CC[C@@]12CCNC2	P18867
C[C@@H]1C[C@@H](N)CCN1C.Cl.Cl	P18870
CN1CC2CC2(N)C1.Cl.Cl	P18871
FC1=CC=C2N=C(Cl)C=CC2=N1	P18872
CC(C)(O)[C@@H]1CCN1.Cl	P18874
COCC1=CN2N=CN=C(N)C2=C1	P18911
CC(=O)N1C2CNCC1C2	P18912
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1CO	P18877
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@@H]1CO	P18878
CCOC(=O)C1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CC1	P18880
NCCN1CC(F)(F)C1	P18881
CO[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C	P18883
CO[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C	P18884
CO[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C	P18885
O=C(O)[C@@H]1CC2(CC2)C(=O)N1	P18889
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(Cl)=CC(Cl)=N1	P18890
CC(C)(C)OC(=O)N1CCC[C@H](C2=NC=CN2)C1	P18891
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](N)C2	P18892
CC(C)(C)OC(=O)N1CCC2CC2(N)C1	P18894
CC(C)(C)OC(=O)N1CC2(N)CCC1CC2	P18895
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H](O)C1	P18896
OC[C@H]1CC1(F)F	P18897
CN1CC[C@@](F)(CN)C1	P18898
CO[C@H]1CCNC[C@H]1NC(=O)OC(C)(C)C.CO[C@H]1CCNC[C@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P18904
CO[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C	P18905
CO[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C.CO[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P18906
ClC1=CC=NC2=C1NC(I)=C2	P18915
CN1CCNCC12COC2.Cl	P18916
N#CC12CC(CN)(C1)C2	P18917
N#CC12CC(C3=CC=CC=C3)(C1)C2	P18919
CC(C)(C)OC(=O)N1CC2CCCC(C1)N2	P18920
N#CC1=C(Cl)C2=CC(Br)=CN2N=C1	P18922
CO[C@]12CNC[C@@H]1CN(C(=O)OC(C)(C)C)C2	P18925
Cl.Cl.NC1=NC=CC2=C1CC[C@@H]2N	P18927
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N	P18957
COC(=O)C[C@H]1CCCNC1=O	P18962
C[C@@H]1CCN(C)C[C@@H]1N(C)C1=NC=NC2=C1C=CN2	P18965
Cl.O=C(O)C1CC2CNC1C2	P18969
NC1=C(C(=O)C2=C(F)C=CC=C2)C=CC=C1	Y13600
CC(C)(C(N)=O)C1=C(Br)C=NC=C1	98393
CCC[C@H](N)CC(=O)O.Cl	Y13601
CC(C)(C)OC(=O)N1CCO[C@@H](CCBr)C1	P19489
CC(C)N1N=C2C=C(Cl)N=CC2=C1I	98399
C#CCCC1(CC(=O)O)N=N1	C90583
CC(C)[C@@H](N)CO.Cl	Y13602
Cl.N[C@H]1C[C@@H]1O	C93527
FC1=CC(F)=C(C2CNC2)C=C1	C93528
Cl.N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	Y13603
Cl.N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	Y13604
NC1CO[C@@H]2OCC[C@H]12	C91364
O=C(O)C1=C(Br)C2=C(C=CO2)N1	L10122
[N-]=[N+]=NCCOCCOCCOCCBr	C70152
[N-]=[N+]=NCCOCCOCCBr	C70153
O=CC1=CN=C2OC=CC2=C1	98457
COC1=CC2=C(C=C1OC)CN(C(=O)/C=C/C1=C(C3=CC=CC=C3)N(C)C3=C1C=CC=N3)CC2	98518
C[C@]1(C#N)CCC1=O	98577
CC[C@H](OC1=CC=C(Cl)C(Cl)=C1Cl)C(=O)OC	98639
CCN(CC)C(=O)[C@]1(C2=CC=CC=C2)C[C@@H]1CN.Cl	C13985
[N-]=[N+]=NCCOCCOCC1=CC=CC=C1	C70002
BrCCOCCOCCOCCOCCOCCOCCBr	C70075
NCCOCCOCCOCCOCCOCC1=CC=CC=C1	C70179
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	C70334
COCCOCCOCCOCCN=[N+]=[N-]	C70089
[N-]=[N+]=NCCOCCOCCOCCOCCO	C70099
CC1=CC=C(S(=O)(=O)OCCOCCOCCOCCOCCN=[N+]=[N-])C=C1	C70100
[N-]=[N+]=NCCOCCOCCOCCOCCOCC1=CC=CC=C1	C70113
COCCOCCOCCOCCOCCBr	C70115
[N-]=[N+]=NCCOCCOCCOCCOCCOCCBr	C70149
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O	C70158
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)O	C70161
O=C(O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21	C70396
O=C(O)COCCOCCO	C70220
CC1=NN=C(C2=CC=C(CC(=O)O)C=C2)N=N1	C70242
CN(CCOCCOCCOCCOCCC(=O)O)C(=O)OC(C)(C)C	C70253
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOS(C)(=O)=O	C70263
O=C(CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	C70316
O=C(CCOCCOCCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	C70318
O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)ON1C(=O)CCC1=O	C70319
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	C70346
COCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	C70352
COCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	C70355
O=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O	C70364
O=C(CCSSC1=NC=CC=C1)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	C70379
CC(=O)SCCOCCOCCOCCC(=O)O	C70408
O=C(O)CCOCCOCCS	C70431
[N-]=[N+]=NCCOCCC(=O)O	C70444
O=C(O)COCCOCCOCCOCCOCCOCC(=O)O	C70490
O=C(O)COCCOCCOCCOCCOCC(=O)O	C70494
C#CCOCCOCCOCCOCCOCCN	C70495
C#CCOCCOCCOCCOCCOCCOCCC(=O)O	C70546
CNCCOCCOCCOCCO	C70561
O=P(O)(O)CCCCP(=O)(O)O	C70593
CCOP(=O)(CCOCCOCCBr)OCC	C70602
O=P(O)(O)CCCCCCP(=O)(O)O	C70635
NCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21	C70649
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CBr	C70654
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr	C70715
CC(C)(C)OC(=O)NCCOCCOCCOCCSSCCN	C70719
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)CBr	C70720
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21	C70728
C#CCOCCOCCOCCNC(=O)OC(C)(C)C	C70730
C#CCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C	C70748
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCBr	C70787
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCBr	C70788
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCBr	C70789
Cl.NC[C@H](CC(=O)O)C1=CC=CC=C1	C75482
O=C(O)CCOCCOCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21	C70035
O=C(O)CCOCCOCCOCCOCCNC1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1	C70038
O=C1CCCC2=CC(Cl)=NC=C12	C77404
Cl.O[C@@H]1CNC[C@H](O)C1	C77406
N#CC1=CC(Cl)=CC(Br)=N1	C77418
Cl.Cl.NC12CCN(CC1)CC2	C77419
N#CC1=CC(Br)=NC=N1	C77430
CO[C@@]1(C)CCNC1.Cl	C77432
C[C@@H]1NCC[C@@H]1O.Cl	C77439
CC(C)(C)OC(=O)NCC(N)CNC(=O)OC(C)(C)C	C77442
CO[C@H]1C[C@H](O)C1	C77446
COC1CCC(S(=O)(=O)Cl)CC1	C77451
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CS(C)(=O)=NCC(=O)O	C77465
CC1=CC=CC(N)=C1C1=C(N)C=CC=C1C	Y13606
Cl.N[C@@H](C(=O)O)C1=C(C(F)(F)F)C=CC=C1	Y13607
Cl.N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O	Y13608
NC1=CC=C(C2=CC=C(Br)C=C2)C=C1	Y13609
FC(F)(F)C1=CC([Ir](C2=C(C3=NC=CC=C3)C=CC(C(F)(F)F)=C2)C2=C(C3=NC=CC=C3)C=CC(C(F)(F)F)=C2)=C(C2=NC=CC=C2)C=C1	C75332
C1=CC2=C(C=N1)COC21CCNCC1.Cl	C73870
N#CC1=C(C2=CC=C(C(Br)Br)C=C2)C=CC=C1	C73979
COC1=CC=CC(C2(O)CCC(OCC3=CC=CC=C3)CC2CN(C)C)=C1	C75101
NC1=CC=CC(CO)=C1N	C74417
CC(C)(C)OC(=O)N1C=NC2=C(CBr)C=CC=C21	C72317
CC1(C)OC(=O)C2=C1NC1=C2C=CC=C1	C72584
O=C1COC2(CCNCC2)CN1CC1=CC=CC=C1	C72872
CN(C)CCCN1C(=O)C2=C(C=CC=C2)C2=C1C=CC=C2	C73366
CCCCCOC1=CC(C(=N)N)=NC=C1.Cl	C71575
ClC1=C2OC=CC2=C(Br)C=C1	C76756
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)C1=CC=C(Br)C=C1)C1=CC=CC=C1	C73432
C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1	C74037
CC1=NC2=CN=C(Cl)C=C2C(Cl)=N1	C71125
C1=CC2=C(C=N1)C1(CCNCC1)OC2.Cl	C71846
ClC1=NC(C2=CN=CC=C2)=NC(Cl)=C1Cl	C72262
COC1=NC(N)=CC(C(F)(F)F)=C1	C73021
FC1=C(C(F)F)N=C(Cl)C=C1	C73462
CC(C)(C)[Si](OCC(=O)O)(C1=CC=CC=C1)C1=CC=CC=C1	C76438
CC1=C(C=O)C=CN=C1Cl	C76531
NCC1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	C77202
COC(=O)C1=CC2=C(C(=O)OC)C=NN2C=C1	C77382
COC1=C(OC)C=C(CC2=C(N)N=C(N)N=C2)C=C1.Cl	C74291
CC1(C)S[C@H]2[C@@H](NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)N2[C@@H]1C(=O)[O-].[Na+].[Na+]	C74448
COC1=CC=C([N+](=O)[O-])C(Br)=C1O	C76751
N#CC1=CC2=C(C=O)C=NN2C=C1	C71349
CC1=CC=CC(C2=NNC3=C2C=C(N)C=C3)=C1	C71566
C1=CC=C(C2=CN=CC(N3CCNCC3)=C2)C=C1	C74156
O=S(=O)([O-])OC1=CC=C(C(C2=CC=C(OS(=O)(=O)[O-])C=C2)C2=NC=CC=C2)C=C1.[Na+].[Na+]	C71029
C[C@@H]([C@H](O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1.C[C@@H]([C@H](O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O	C74196
COC1=CC(N)=C(Cl)C=C1C(=O)N[C@@H]1CCN(CCCOC2=CC=C(F)C=C2)C[C@@H]1OC	C76595
N#CC1=C(F)C(Cl)=C(Br)C=C1	C71521
CC1=CC=C(S(=O)(=O)OCCOCCO)C=C1	C71595
CC(C)(C)OC(=O)NC1=C(N)C=C(C2=CC=CS2)C=C1	C74721
CCCCCCOC1=NSN=C1C1=CCCN(C)C1	C72296
CC(C)(C)OC(=O)N1CC(CCBr)C1	C72651
CC(C)(C)C1=CC=C(C2=NN=C(N)O2)C=C1	C75376
CC(C)(C)OC(=O)N1CC(C2=CC=C([N+](=O)[O-])C=C2)C1	C76917
CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO)C1	C73251
COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	C75961
O=C(O)C1=CC(Cl)=CC2=C1OCCN2	C72362
CCN1C=CC2=C1C=CC(B1OC(C)(C)C(C)(C)O1)=C2	C71822
NC1=NC2=C(C=NC=C2)O1	C72074
CC(=O)OC/C(C1=CC=C(S(C)(=O)=O)C=C1)=C(\C(=O)O)C1=CC=CC=C1	C73407
Cl.N[C@@H](CO)C1=CC=CC(F)=N1	C73755
COC1=C(C)C(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)=C1	C75579
Cl.NCC1=NN=C(N2CCOCC2)C=C1	C73129
CC(C)(C)OC(=O)NC1(C2=CC=CC(Br)=N2)CCC1	C73549
O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1	C75360
C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl	C72836
ClC1=NC=C(I)C2=NC=CC=C12	C71288
CCCCC1=C(CC2=CC=C(C3=C(C#N)C=CC=C3)C=C2)C(=O)N(CC2=C(C(=O)OC)C=CS2)C(C)=N1	C73310
CC1(C)OB(C2=CC=C(NC3=NC4=C(C=CC=C4)S3)C=C2)OC1(C)C	C74691
CC1=C(C)C(O)=CC(=O)N1	C76715
COC[C@H]1CNCCO1	C72983
COC(=O)C1=CC2=C1C=CC=C2	C74803
IC1=NC=NC2=C1C=C(C1=CC=CC=C1)S2	C76288
C#CC1=CC(N)=C(F)C=C1	C71057
CC1=C(Br)C=C(C(=O)O)C(Cl)=N1	C72020
CC1=C(N)C=C2N=CC=CC2=C1	C72193
CNC(=O)C1=NC=CC(B2OC(C)(C)C(C)(C)O2)=C1	C72254
N[C@H]1CCC2=C(C1)SC(Br)=N2	C72517
CCCCCCCCCCCCCCCC1=NC(C)(C)C(=O)O1	C73364
CCOC(=O)[C@H](N)C1=C(Cl)C=NC=C1.Cl	C73719
CC1=NC2=C(N1)C(N)=NC=N2	C74158
CC1=CC(O)=C(C(=O)O)C(C)=N1	C74708
CC1=CC=CC(C(=O)C(=O)C2=CN3N=CN=C3C=C2)=N1	C74835
CC1=CC=C(CC(=O)C2=CN=CC=C2)C=C1	C75028
O=C(O)C1=C(Br)N=C(Br)C(Cl)=C1	C75592
CC(C)[Si](C#CC1=C2C=CC=CC2=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C2=CC3=CC=CC=C3C=C21)(C(C)C)C(C)C	C75955
NC1=C(Br)C=CC2=CN=CC=C21	C76720
CCC1=CC=CC(NC)=N1	C77377
ClC1=C(I)C2=C(C=CN2)C=N1	C71552
CCCCCC[C@H]1C=CC(N)=C1N	C73717
NC1=C(N)N=C(Cl)C(C(F)(F)F)=C1	C71455
CC1=CC=CC(C)=C1NC1=NC=CS1.Cl	C71940
CC(C)(O)C1=CC=CC(Cl)=N1	C75048
CN(C1CC1)[C@H]1CCNC1	C74286
Cl.N[C@H]1CCC[C@H](O)C1	C73496
CN(C)CC1CC(OCC2=CC=CC=C2)CCC1(O)C1=CC(O)=CC=C1.Cl	C73551
O=CC1=CC(Cl)=CC(Cl)=N1	C72313
C1COC2CC2N1.Cl	C72423
CC1NCCCC1NC(=O)OC(C)(C)C	C71485
CC1=NN(C(=O)OC(C)(C)C)C2=CC(F)=C(B3OC(C)(C)C(C)(C)O3)C=C21	C72329
C1=CC2=C(C=N1)CCNC2.Cl.Cl	C75219
FC(F)(F)C1=NC(Cl)=NC(Cl)=C1Cl	C76701
NC1=CC(Cl)=NN2C=CN=C12	C71527
COC1=CC(Br)=CN2N=CC(C=O)=C12	C71722
NC1=CC=CC(C(F)F)=N1	C72274
BrC1=NC2=C(C=C1)C(I)=NN2	C72437
OCC1=CC2=CC(Br)=CN=C2N1	C73208
COC(=O)C1=CC2=C(S1)C(Br)=NC=C2	C73951
O=CC1=NC2=CC=CC=C2N=C1Cl	C75311
OC1=CC(Br)=C2OC(C3=CC(F)=C(O)C=C3)=NC2=C1	C75557
BrC1=CN=C(Br)C2=C1C=CN2	C75905
CN1C=C(C(=O)O)N=C1Br	C76737
OC1=CC(Cl)=C2C=NNC2=C1	C76974
NCCOCCC(=O)O	C72750
NC1=CC(Cl)=CC(Br)=N1	C71706
ClC1=NC=NC2=C1SC=N2	C72408
COC1=CC2=C(C=C1)NC([S@@](=O)CC1=NC=C(C)C(OC)=C1C)=N2	C71629
COC1=C(Br)C(Cl)=CC=N1	C71753
COC1=C(F)C(Cl)=NC(C)=N1	C72538
CC1=CC=C(S(=O)(=O)N2C(I)=CC3=C2N=CN=C3Cl)C=C1	C75283
O=CC1=CN2CCOCC2=N1	C75930
CS(=O)(=O)OC1(CC(=O)O)CC1	C76660
CCOC1=C([C@H]2CCNC2)C=CC=C1	C71304
C1=NNC=C1C1CC1	C77055
COC(=O)C1=NC=C(CBr)C=C1	C75626
CCOC(=O)N1CCC(=O)[C@@H]1C	C76331
COC(=O)C1=CC=C(C#N)N1	C77228
CCOC(=O)C[C@H]1COCCN1CC1=CC=CC=C1	C73425
COC(OC)C1=CC=NC(S(C)(=O)=O)=N1	C76867
NCCC(O)(P(=O)(O)O)P(=O)(O)O	C75045
CC1=C2N=CC(Br)=CN2N=C1	C71762
COC1=CN=C(Br)C=C1C(=O)O	C72014
COC1=C(N)N=CC(C#N)=C1	C72027
O=S(=O)(C1=CC=CC=C1)N1C(Br)=CC2=C1N=CC=C2	C71865
NC1=CC=CC2=C1N=C(Br)S2	C72477
Cl.NC1CCCCC1NC(=O)C1=CC=CN=C1Cl	C72417
FC(F)(F)C1=CC=C(C2=CSC(Br)=N2)C=C1	C76953
CCOC(=O)C1=CC2=C(N=CN=C2Cl)S1	C75787
COC(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CN=C12	C73125
C1=CC(N2CCNCC2)=C2N=CN=CC2=C1	C74125
NC1=C(Cl)C=C2NN=CC2=C1	C74135
COC(=O)C1CCC2(CC1)CNC1=C2C=CC=C1	C74389
COC1=C(OC)C=C2C(=C1)C=NN=C2Cl	C76256
COC(=O)C1=C(Br)C=NC(O)=N1	C76292
CC1=CC=C([C@H]2CN(CC3=CC=CC=C3)C[C@@H]2C(=O)O)C=C1.Cl	C73715
CCN1C[C@H](CCN2CCOCC2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C1=O.Cl.O	C76261
COC1=CC(N)=C([N+](=O)[O-])C=C1C#N	C71656
COC1=C(S[C@H]2CCNC2)C=CC=C1.Cl	C72645
NC1=C(C(F)(F)F)C=CC2=C1C=NN2[C@@H]1CCCCO1	C73857
CN(C)C1=CC=C(NN)C=C1.Cl.Cl	C74403
CC1=CC=C(/C(Cl)=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCCC2)C=C1	C72308
NC1=C(Cl)C(C(F)(F)F)=C(Cl)C=C1	C73454
CC1=CC=CC(NC2=CC(Cl)=NC(SCC(=O)O)=N2)=C1C	C75388
CC1=NNC(C)=C1C1=C(C)NN=C1C	C75054
CC12CC3(C)CC(C)(C1)CC(Br)(C2)C3	C75503
O=CC1=NC2=C3C=CC=CC3=CC=C2C=C1	C77064
COC1=CC(OC)=C(I)C=C1C(C)C	C71498
C#CC[C@@]1(C(=O)O)CCCN1.Cl	C71208
CCOC(=O)C1=C(Cl)C2=CC=CC=C2N=C1Br	C72526
O=C(O)C1=CC2=C(S1)C(Br)=NC=C2	C73937
CN1CCC2=C(Br)C=CC([N+](=O)[O-])=C2C1	C71190
O=C(O)C1=NC=C(C2=CC=NC=C2)C=C1	C71789
FC(F)(F)OC1=CC=C2N=C(Cl)C(Cl)=NC2=C1	C71998
COC(=O)C1=C2C(C)=CC=CN2N=C1	C72145
Cl.FCCN1CCNCC1	C73542
N#CC1=CC(Cl)=CN1	C75675
COC1=CC(N)=C(F)C=N1	C75734
COC1=C2N=C(Cl)C=NC2=CC=C1	C76068
CC(=O)C1=CC=C(CN)C=C1.Cl	C76094
Cl.NC1C2COCC12	C76192
CCOC(=O)[C@@H](Br)C(C)(C)Br	C76539
N#CC1=C(Cl)C=C(C(=O)O)N=C1Cl	C76794
CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S(N)(=O)=O)S2.Cl	C72221
CC1=CN(C)C2=C1C=C(Br)C=C2	C71042
COC(=O)C1=C2C=CC(C)=CN2N=C1	C72144
FC1=C(Br)C=C(CCl)C=N1	C71877
C#CC1=CC(F)=C(C(=O)O)C=C1	C76347
NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1C#CCNC(=O)C(F)(F)F	C71505
O=CC1=NC(C2=CC=CC=C2)=CN1	C75641
Cl.Cl.N[C@H]1CC[C@@H](N)C1	C75982
CC1=CC=C(S(=O)(=O)N2C=C(C(F)(F)F)C3=CC(Br)=CN=C32)C=C1	C71720
O=C(OCC1=CC=CC=C1)N1CC=CC[C@@H]1CO	C73484
CC1=CC(F)=C2C=NNC2=C1	C76941
O=C1N=C(Cl)NC(=O)N1	C76185
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)C1=C([N+](=O)[O-])C=CC=C1)C1=CC=CC=C1	C73430
CC1(C)OB(C2=CN(C(F)(F)F)N=C2)OC1(C)C	C71187
CC1(C)OB(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)OC1(C)C	C75182
CC1=CC(Br)=CC(O)=C1C=O	C72676
O=C(OCC1=CC=CC=C1)N1CCCC2=C(Cl)N=C(Cl)N=C21	C73214
COC1=CN=C2C=CC(Br)=CC2=N1	C74019
O=C(O)CNC1=CN=CC=C1	C75069
O=C(O)C1=CC2=CC=CN=C2C(O)=C1	C77086
NCC1=CC2=C(C=C1)SC=N2	C77198
O=C(O)C1=CC=C2N=CC(Br)=C(O)C2=C1	C71258
CN1C=C([N+](=O)[O-])C=C(Br)C1=O	C73055
CCC1=CC2=C(C=C(N)C=C2)O1	C74422
O=C(NCC1=CC=CC(CNC(=O)C2=CC=CS2)=C1)C1=CC=CS1	C74703
Cl.ClC1=C(Cl)C=C2CNCCC2=C1	C76325
CC(C)(C)C1=CC(C2=NC=CC(C(C)(C)C)=C2)=NC=C1.CC(C)(C)C1=CC(C2=NC=CC(C(C)(C)C)=C2)=NC=C1.CC(C)(C)C1=CC(C2=NC=CC(C(C)(C)C)=C2)=NC=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]	C76420
CC(C)(O)[C@@H]1CCCN1.Cl	C76614
CC1(C)C(=O)NC2=C1C=CC(Cl)=N2	C72987
OC(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1CCCN1CC1=CC=CC=C1	C71614
C[C@@H](CC=O)NC(=O)OC(C)(C)C	C75321
CC(C)(C)OC(=O)N1CCC2(CCNC(=O)O2)CC1	C71731
COC(=O)C1=CC(Br)=C(C(F)F)S1	C71719
C1=CC2=C(C=C1)SC1=C(C=CC=C1)C(N1CCN(CCOCCOCCN3CCN(C4=NC5=C(C=CC=C5)SC5=C4C=CC=C5)CC3)CC1)=N2.Cl.Cl.Cl.Cl	C73665
NC1=NC2=C(C=CC(F)=N2)S1	C71705
CC(C)(C)OC(=O)N1CC(C2=CC=CC(F)=N2)C1	C72425
O=C(O)C1=C2C=CC=CN2N=C1C1=CC=CC=C1	C76582
FC1=CC(C2=NC=CC(F)=C2)=NC=C1	C71612
O=C(O)CC1=CC(=O)OC2=C1C=CC(NC(=O)OCC1C3=C(C=CC=C3)C3=C1C=CC=C3)=C2	C74935
FC(F)(F)C1=CNC2=C1C=CC(Br)=N2	C73680
FC(F)(F)C1=NN=C(Br)C(Br)=C1	C71285
N#CC1=C(F)C=C(CC(=O)O)C=C1	C71341
C=CC1=NC=C(C(=O)OCC)O1	C72035
OC1=CC(Br)=C2OC=CC2=C1	C75819
O=C(O)C1=CNC2=C(CCCC2)C1=O	C75750
O=[PH](C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	C73009
CC1=CC(F)=C(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C=C1	C71484
CC1=CN(CC(=O)NCCN)C(=O)NC1=O	C75560
NC1(CC2=CC=C(O)C=C2)CC1	C76840
CCCOC1=CC2=C(C=C1)NC(NC(=O)OC)=N2	C73898
O=C(/C=C/C1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1	C71135
CC1=NN(C(=O)OC(C)(C)C)C2=C1C=NC=C2	C71274
FC1=CC(Br)=C(Cl)C=N1	C71766
OC1=CC(I)=C(C(F)(F)F)C=N1	C71889
NC1=C2C=C(Br)N=CC2=CC=C1	C72071
N#CC1=CC=C(C[C@H](NC(=O)OCC2=CC=CC=C2)C(=O)O)C=C1	C72278
CCC(=O)C1=NC=C(Br)C=N1	C72382
CNC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1C#N	C72383
C#CC1(O)CN(S(=O)(=O)C2=CC=C(C)C=C2)C1	C72390
C[C@@H](CC=O)NC(=O)OC(C)(C)C	C73586
CC1CC(C)C2=C(C=CC=C2)N1	C73677
C1=CC=C(C2=CN=CC(N3CCCNCC3)=C2)C=C1	C74157
CCCCCCCCCCCCOC(=O)[C@H](C)N(C)C.Cl	C74346
COC(=O)C1=C(NCC#N)C=CC=C1	C74461
COC1=C2C=C(C)NC2=NC=C1	C74586
N[C@H](C(=O)O)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2	C76264
COC(=O)C1=NC=C(C)N=C1Cl	C76776
O=C(O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	C77220
CC1=C(C(=O)C2=CC=C(C(=O)O)C=C2)C=C2C(=C1)C(C)(C)CCC2(C)C	C72902
O=C(CN1C=CN=C1[N+](=O)[O-])NCC1=CC=CC=C1	C74184
COC1=CC(Cl)=CC(F)=C1C(=O)O	C71301
BrC1=C2OC=NC2=CN=C1	C72028
COC(=O)C1=C(N)C2=C(CNC2)S1.Cl.Cl	C73788
O=C1C=CN([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1	C74661
NC1=CN=C2C=CC(Br)=CC2=N1	C74020
CC1=C(C2=CC=C(S(=O)(=O)O)C=C2)C(C2=CC=CC=C2)=NO1	C73495
O=CC1=CN(C2CC2)N=C1	C71302
CC1=NC=C(CN)O1	C72631
COC1=C(Cl)C2=NC=CC=C2C=C1	C72663
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)C1=CC=CC=C1)C1=CC=CC=C1	C74379
O=C(NC(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CS1	C74610
FC(F)(F)C1=CN=C(Br)N=C1	C76181
CC1=C(C)C(Cl)=NC=C1	C76298
CCOC(=O)N1CC[C@H]2[C@@H](C1)C1=C3C(=CC=C1)N(C)CCN32	C74608
N#CC1=C(/C(Cl)=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCCC2)C=CC=C1	C73429
NC1=CC=C(S(=O)(=O)C2=CC=C(NC(=O)CCC(=O)O)C=C2)C=C1	C75771
COC1=NN2C(=NC(C)=C2Br)C=C1	C72483
O=C(C1=C(Cl)C=C(Cl)C=C1)N1N=NC2=C1C=CC=C2	C73803
C#CC1=CC(Cl)=C(C(=O)O)C=C1	C74066
C=CCNC1=C2C[C@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)C=C(C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	C76418
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1	C72444
C1=CC2=NC=CN2C=N1	C74426
CN1CCO[C@@H](C2=CC=CC=C2)C2=C(C=CC=C2)C1.Cl	C74201
NC1=CC(Br)=C([N+](=O)[O-])C=C1N	C71438
COC1=CC2=C(C=C1)N(C)C1=C2CNCC1	C75903
O=C1NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1C#CCNC(=O)C(F)(F)F	C71506
O=C1C=C(Cl)C2=C(N=CC=C2)N1	C75777
CC1=CC(C2=NC=CC(CCCC(=O)O)=C2)=NC=C1	C71461
CC1=C(N)C(C(=O)O)=CS1	C76086
O=C(O)C1=CC=C(C2CCCCC2)N1	C72939
CNC1=CC(Cl)=NC(S(C)(=O)=O)=N1	C72419
CCOC(=O)C1=C(C)N2C=C(C)C=CC2=N1	C72592
CC(C)CC1=CC=C(C2CCC(=O)CC2)C=C1	C73621
CC1=C(/C(Cl)=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCCC2)C=CC=C1	C72306
COC1=CC=C(/C(Cl)=C(/NC(=O)C2=CC=CC=C2)C(=O)N2CCCCC2)C=C1	C72309
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)C1=C(Br)C=CC=C1)C1=CC=CC=C1	C73431
O=C1C=C(CBr)NC(=O)N1	C72103
CC1=CC(C(=O)O)=CN(C)C1=O	C76144
COC1=CC2=C(C=C1)N=C(C1=CC=C(N(C)C)C=C1)S2	C71099
CN1CC2(CCNC2)C1	C72412
BrC1=C2CCCN2N=C1	C73342
FC1=CC(OCC2=CC=CC=C2)=C2C=CNC2=C1	C74600
CC1CNC2=C(S(=O)(=O)N[C@H](CCCNC(=N)N)C(=O)N3CC[C@H](C)C[C@H]3C(=O)O)C=CC=C2C1	C72625
CCOC(=O)N1CC[C@H]2[C@@H](C1)C1=CC=CC3=C1N2CC(=O)N3C	C74607
CCCCCCOC1C=C(C)C(O)C(C)=C1C	C72818
CC(C)N1CCN(C2=CC=C(OC[C@H]3CO[C@](CN4C=NC=N4)(C4=C(Cl)C=C(Cl)C=C4)O3)C=C2)CC1	C76152
CN(C)CC/C=C1/C2=C(C=CC=C2)COC2=C1C=C(CC(=O)O)C=C2.Cl	C72607
C#CC1=C(F)C=C(C(=O)OC)C=C1	C72769
O=C1NCCC2=C1SC(Br)=C2	C77320
COC(=O)C1=CC=C(C2=NC=CC(C3=CNN=C3C3=NC=CC=C3)=C2)C=C1	C76960
CSC(=S)N1CCCCC1	C76220
NC1=CC=CC2=C1C=CCO2	C73284
CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C	C76170
CC1=NC=C(B2OC(C)(C)C(C)(C)O2)O1	C71633
O=C(O)C1=CC(Cl)=CN=N1	C71768
FC1=C(Br)C2=C(C=C1)NC=C2	C71868
ClCC1=CC(Cl)=CN=C1Br	C71880
COC1=C(C2=CC(C=O)=C(O)C=C2)C=C(C(F)(F)F)C=C1	C72089
COC1=C(S(N)(=O)=O)C=C(C=O)C=C1	C71228
CC1=CC(Br)=CC(CN)=N1	C76956
CC(C)(C)OC(=O)N1CC(C2=CC=C(N)C=C2)C1	C77134
COC(=O)C1=C(N)N=CC(B2OC(C)(C)C(C)(C)O2)=C1	C77274
CC1(C)OB(C2=CC(C3=CC=CC=C3)=NN2[C@@H]2CCCCO2)OC1(C)C	C71118
CC1(C)OB(C2=CC=C(C(C)(C)C(F)(F)F)C=C2)OC1(C)C	C72695
CCOC(=O)C1=NC2=CC=CN=C2NC1=O	C71456
CCCCCCCCOC(=O)C1=CC2=C(Br)SC(Br)=C2S1	C71524
ClC1=CC2=C(N=CN=C2Cl)S1	C73160
C#CC1=C(Cl)C=C(C(=O)O)C=C1	C73585
COC[C@H]1CCCCN1.Cl	C76178
COC(=O)C1=C2NCCC2=CC(Br)=C1	C76787
CC(C)(C)OC(=O)N1CCC(COCCO)CC1	C72049
C[C@H]1CO[C@@H](C)CN1.Cl	C73501
CCN1C=NC2=NC=CC=C21	C74418
CN(C)/C=C(\C#N)C(=O)C1=CC2=C(C=CC=C2)N1S(=O)(=O)C1=CC=CC=C1	C72108
COC(=O)C1=C(C2=C(OC)C=CC(F)=C2)C2=C(C=NC(S(C)(=O)=O)=N2)S1	C72777
CC1=NN(C)C2=C1C(N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)=NC(N)=N2	C73077
CN/C(C1=CC(N(C)C)=CC=C1)=C1\C(=O)N(C2=C(Cl)C=CC=C2)N=C1CC(=O)OC	C73502
OC1=CC(O)=CC(/C=C/C2=C(O)C=CC=C2O)=C1	C76801
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)C1=C(F)C=CC=C1)C1=CC=CC=C1	C72307
CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C3C(=C(Br)C=C4C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C(=C43)C(Br)=C2)C1=O	C71347
CC(C)(C)OC(=O)N1CCC2(CC1)COC1=C2C=C(Br)C=C1	C71988
C1=CC2=C(C=C1)C(CC1CCNCC1)=CN2	C74809
Cl.NC1(C(=O)O)CC(OCC2=CC=CC=C2)C1	C71723
CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC1=CC=CC=C1	C72975
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1	C73840
CC1(C)CCC2=C(O1)C1=C(C=CC=C1)C(=O)C2=O	C75251
CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2	C73524
CC1=C(Br)C2=C(C=C1)C=NN2COCC[Si](C)(C)C	C73728
CN(C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)[C@@H](CC1=CN(C(=O)OC(C)(C)C)C2=C1C=CC=C2)C(=O)O	C73871
CC(C)(C)C1=CC(S(=O)(=O)O)=CC(C(C)(C)C)=C1O	C74329
O=CCCCCCCCC(=O)O	C74321
COC1=CC2=C(C=C1)[C@@H](C#N)CC(=O)N2	C72961
Cl.N#CC1=CC2=C(C=C1)N(CC1=CNC=N1)C[C@H](CC1=CC=CC=C1)N(S(=O)(=O)C1=CC=CS1)C2	C73742
CC1=CC([N+](=O)[O-])=C(NCCCN)C=C1.Cl	C76709
COC(=O)C1=C2C=CC(F)=CN2N=C1	C73442
CC1=CC(I)=CC(Cl)=N1	C71881
Cl.O=C(O)[C@@H]1C[C@@H](O)CCN1	C72340
CC1=CC=C(S(=O)(=O)OC[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C=C1	C72627
O=C1NCC2CCC1C2	C73267
CC(C)(C)OC(=O)NC1CCN(CCN)CC1	C74344
O=C(O)[C@H]1C[C@H](C(=O)O)C1	C76374
CC1=C[C@H]2[C@@H]([C@H](C)C(=O)O)CC[C@H](C)[C@H]2CC1	C76721
O=C(O)C1=NC=CC(C(F)F)=C1	C72018
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(Cl)=C1Cl	C73450
CN(C)C1=NC2=C(N=CN2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1	C74036
Cl.Cl.NC1=CC=C([C@@H](N)C(=O)O)C=C1	C76186
C[C@@H](C#N)NC1=C(C(=O)O)C=CC=C1	C76252
CNC1=C(N)C(C)=CC=C1	C76359
O=C(OCCSSC1=NC=CC=C1)OC1=CC=C([N+](=O)[O-])C=C1	C76868
ClC1=CC=CC2=NN=C(Br)N12	C76108
CC1=CC=C2NC=C(I)C2=N1	C71009
O=C(O)C1=CC(C2CC2)=C(Cl)S1	C71996
OCC1=NC2=C(C=C1)N=CN2	C72404
ClC1=CC2=NC=CN2N=C1	C72535
NCCC1=CNC2=C1C=NC=C2	C73378
O=C(N[C@H](C(=O)O)C(F)(F)F)OCC1=CC=CC=C1	C71040
CC1=CN(C)N=C1C(=O)CBr	C73972
O=C(NCC1=CC=CC(CNC(=O)C2=CC=CO2)=C1)C1=CC=CO1	C75110
O=C(O)C1=CN2C=C(Br)C=C(F)C2=N1	C72061
C#CC1=CN=C(N)C(C#C)=N1	C72998
Cl.Cl.NCC1=C(CO)C=CC=N1	C71511
CC1(C)OB(C2=C(C(F)F)C=CC=C2)OC1(C)C	C76898
CC(C)(C)OC(=O)N1CCC(N2CC(F)(F)C2)CC1	C71328
CCOC(=O)C1=C(O)CN(C(=O)OC(C)(C)C)CC1	C73904
C1=CC2=C(N1)SC=C2	C74294
O=CC1=NC2=NC=CN2C=C1	C74932
CC1=CC(C#N)=C(C)C(N)=C1	C77067
CCOC(=O)C1=NC2=C(N=C(Cl)C=C2)S1	C71687
CCOC1=CC=C2N=C(Cl)N=CC2=C1	C76491
N#C/C(=C\C1=CC(O)=C(O)C=C1)C(=O)NCC1=CC=CC=C1	C72336
CC1=CC(C2=NC=CC(C)=C2)=NC=C1.CC1=CC(C2=NC=CC(C)=C2)=NC=C1.CC1=CC(C2=NC=CC(C)=C2)=NC=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]	C76671
Cl.NC1=NC2=C(N=CN2[C@@H]2C=C[C@H](CO)C2)C(Cl)=N1	C73306
CN(C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)[C@@H](CCC(N)=O)C(=O)O	C77099
O=C1NCC2=C1C=C(Cl)N=C2Cl	C71681
Br.FC(F)(F)C1=CC(CBr)=CN=C1	C72542
NC1=CC(Cl)=NN=C1N	C77192
CCOC(=O)C1=NN=C2N=CC=CN21	C72335
COC1=CC=C(C(O[C@@H]2C[C@@H](N3C=C(C)C(=O)NC3=O)O[C@H]2COP(OCCC#N)N(C(C)C)C(C)C)(C2=CC=CC=C2)C2=CC=C(OC)C=C2)C=C1	C72355
Cl.O=C(O)C[C@H]1CNCCO1	C72399
COC1=CN=C(Br)C(C)=N1	C72568
O=C(O)C1=CC(O)=C2NN=NC2=C1	C72929
O=C(COC1=CC=C(Cl)C=C1)N[C@H]1CC[C@@H](NC(=O)COC2=CC=C(Cl)C=C2)CC1	C73020
CC1=C(Cl)C2=C(C=C1)NC=C2	C73106
N#CC1=CN=C(F)C=C1F	C73453
Cl.O=C1NCC2(CCNCC2)[C@@H]1C1=CC=CC=C1	C73863
CCCCCCCCCCCCC1=CC=C(B(O)O)C=C1	C73917
ClC1=NC2=C(C=CS2)C=C1	C75923
OC1=CC(O)=C(CC2=CC=C(Cl)C=C2)C=C1	C75952
COC1=C2N=CC(Cl)=NC2=CC=C1	C76433
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\C3=C(C)N=CS3)CS[C@@H]12)C1=CSC(N)=N1	C71561
CCOC1=C(/C=C2\C(=O)NC3=C2C=CC=C3)C=CC=C1	C73583
O=C1C2CCN(CC2)C1(CO)CO	C75635
CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCNC1	C74287
BrC1=CC2=CSN=C2N=C1	C73733
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)CC1=C2C=CC=C1	C74237
CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C	C77370
CC1(C)O[C@@H]2O[C@H]3COC(C)(C)O[C@H]3[C@@H]2O1	C72241
Cl.Cl.OCCOCCOCCOCCN1CCN(C2=NC3=C(C=CC=C3)SC3=C2C=CC=C3)CC1	C73527
CCOC(=O)CC1=CN=C(Br)S1	C74043
O=C(O)C1=NC2=C(C=NC=C2)N1	C77149
CN(C)C(=S)NN=C(C1=NC=CC=C1)C1=NC=CC=C1	C72884
C1=CC=C(COC2=CC3=NC=CC=C3C=C2)C=C1	C72286
CCOC(=O)C1=C(N)C(C)=C(C)N1	C74188
CCOP(=O)(CC(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1)OCC	C75900
Cl.FC1(F)CCN(CC2=CC=CC=C2)C1	C76796
COC(=O)CC1=CN=C(Cl)S1	C72666
CC1=NN(C2=CC(C)=C(C)C=C2)C(=O)/C1=N\NC1=C(O)C(C2=CC(C(=O)O)=CC=C2)=CC=C1	C75316
COC(=O)C1=CC=C2N=C(C(F)(F)F)C=CC2=C1	C71496
O=S(=O)(C1=CC=CC=C1)N(CC(F)(F)F)C1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=C1	C74506
C1CC[C@@H](C2CC2)NC1.Cl	C73625
COC1=CC=C(C2=CN3N=CC(C4=CN=CC=C4)=C3N=C2)C=C1	C74063
CN1N=C(C(F)(F)F)C2=C1CNCC2.Cl	C76340
CC1=NC2=C(C=C1Br)C(I)=CN2	C71010
CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2CC2=CC=CC=C2)C1	C76026
O=C(O)C1=CC2=C(C=CC(C(F)(F)F)=N2)N1	C77152
COC1=C(O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)C2=C1	C74863
O=C(NC1=CC=C(Cl)C=C1)C1=CC2=CC=CC=C2C=C1OP(=O)(O)O	C73512
CS(=O)(=O)O.OC1=CC=C([C@@H]2CNCCC3=C2C=C(O)C(O)=C3Cl)C=C1	C76117
NC(=O)C1=CC(N2CC2)=C([N+](=O)[O-])C=C1[N+](=O)[O-]	C74095
C1=CC2=C(C=C1)C(/N=C1\SCCN1C1=NCCS1)C1=C(C=CC=C1)C=C2	C71273
CCOC(=O)C1=NC=C2C(Br)=CC=CC2=C1	C73516
COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C32)C=CC(NS(C)(=O)=O)=C1	C75400
NNC1=NN=C(NN)C2=CC=CC=C21.O=S(=O)(O)O	C76337
CC(C)(CC(=O)O)NC[C@H](O)C1=C(Cl)C=CC=C1	C74070
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O.Cl	C77009
CC1=C(C(=CCCN2CCC[C@H](C(=O)O)C2)C2=C(C)C=CS2)SC=C1.Cl	C72768
CC1=NC=C(CCN2C(=O)C3=C(C=CC=C3)C2=O)N1	C76236
COC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O	C76587
CC1=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=C(NC(=O)C2=CC=CC=C2)C=C1	C72889
CC(C)[C@@H](NC(=S)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N(C)C	C71199
FC1=CC=C2N=CC=C(Br)C2=N1	C72692
Cl.NCC1=CC2=C(C=C1)C(=O)NC2	C72657
FC(F)(F)C1=CNC2=C1C=CC=C2	C75404
COC(=O)[C@@H]1CC(=O)CO1	C77356
CC1=C(Cl)C(Br)=NC=C1[N+](=O)[O-]	C73464
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCC[C@H](N)C(=O)[O-])[C@@H]2SC1.[Zn+2]	C75762
CC1(C)C2=C(C=CC=C2)C2=C1C1=C(C=CC=C1)C2(C)C	C76992
CSC1=NC(N)=C(C=O)C(C)=N1	C72123
COC1=C(I)C=C([N+](=O)[O-])C([C@@H](O)C(C)(C)C)=C1	C72674
CC1=NC2=C(Cl)C=C(Br)C=C2S1	C72675
CC(=O)NC[C@H]1CN(C2=CC(F)=CC(F)=C2)C(=O)O1	C73220
COC1=C(I)C=C([N+](=O)[O-])C([C@@H](O)C(C)(C)C)=C1	C73736
COC1=C(C(=O)O)C=CC([C@H](C)N)=C1.Cl	C74130
O=C(O)CCP(=S)(CCC(=O)O)CCC(=O)O	C75780
O=C(C1=CC=C(Cl)C=C1)C1=CNC=C1	C75916
CC(C)C1=C(Br)C2=C(C=C1)NN=C2	C75853
C[C@H](N)CC1CCCCC1.Cl	C75565
OCC1=CC=C2OCCOC2=N1	C75889
COC(=O)C1=CC2=C(C=C1)N[C@H](C(F)(F)F)CC2	C72157
C[C@H]1CCC2=CC(F)=CC3=C2N1C=C(C(=O)O)C3=O	C75146
O=C1C2=C(C=CC=C2)[Se]N1C1=CC=CC=C1	C75847
CC1=C(Br)C=C(C#N)N=C1	C72414
CC1=CN=C(C(=O)C(F)(F)F)C=C1	C71241
CC1=CON=C1C(=O)O	C74055
CCOC(=O)CN1C(=O)C(Br)=NC=C1C	C74120
Cl.N[C@@H](CC1=CN=C(C2=NC=CC=C2)C=C1)C(=O)O	C73852
COC1=NC=C2NC(C)=CC2=C1	C71339
CC1=CC=C(F)N=C1Br	C71759
O=C(O)C1=C(F)C=CN=C1O	C73448
CCOC(=O)O[C@H](C)OC1=C(C(=O)NC2=NC=CC=C2)N(C)S(=O)(=O)C2=C1C=CC=C2	C77384
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O	C72780
CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@H](/N=C/N3CCCCCC3)[C@@H]2SC1(C)C.Cl	C74675
CN1CCN2C3=C1C=CC=C3[C@@H]1CNCC[C@@H]12	C74606
CC1=CC=C(S(=O)(=O)NC(=O)NN2CCCCCC2)C=C1	C71499
O=C1NC(=S)NC2=C1N=C(C1=CC=CC=C1)C(C1=CC=CC=C1)=N2	C72835
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	C74361
CC1=NC=CC(N)=C1F	C73011
CC1(C2=C(Br)C=C(N)C=C2)COC1	C77266
CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O	C75740
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@H](C2=CC=CS2)CN(CC(=O)O)C1=O.Cl	C71352
CC1=NC=CN1C1=CN=C(N)C=C1	C71094
O=C(O)C1=CC=CN=C1OC(F)(F)F	C71834
O=C(O)C1=CC=CC(C2(C(F)(F)F)N=N2)=C1	C73360
COC(=O)C1=C2OCCOC2=C(Br)C=C1	C76636
COC1=C(C(F)F)C=CC(C=O)=C1	C77047
O=C1N[C@@H](CO)CC1(F)F	C74323
BrC1=CC2=NN=CC=C2C=C1	C72506
BrC1=CC=C([C@@H]2CN3CCSC3=N2)C=C1.O=C(O)C(=O)O	C75926
CC(=O)N[C@@H]1[C@@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@H]1NC(=N)N	C72554
CC1=CC([N+](=O)[O-])=CC(Br)=C1C(=O)O	C73474
CCOC1=CC=C(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)C=C1	C77085
NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1	C71253
CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(=N)N)C=C1.CS(=O)(=O)O	C75670
CC(C)C1=CC(C(C)C)=C(CC(=O)NS(=O)(=O)OC2=C(C(C)C)C=CC=C2C(C)C)C(C(C)C)=C1	C73212
COC1=C(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)C=CC=C1.Cl.Cl	C74006
C[C@H]1CN(C2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4=C(F)C=C(F)C=C4)C3=C2)CCN1.Cl	C71231
CN(C)[C@H](C1=CC=CC=C1)[C@H](NC(=S)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC=CC=C1	C76669
CCC1=C(Br)C2=C(C=C1)NN=C2	C74003
CCN1C(N)=C(C(=O)NC)C(=O)C2=C1N=C(C#C[C@@](C)(O)COC)C=C2	C71326
ClC1=CC2=C(Cl)N=C(Cl)N=C2C=C1Br	C73731
OC1=CC(CN2CCOCC2)=C(O)C=C1CN1CCOCC1	C76080
O=C1C=CC2=C(NC=N2)N1	C74457
CC(C)=NNC1=NC=C(C(=O)ON2C(=O)CCC2=O)C=C1	C74865
S=C(C(=S)N1CCCCC1)N1CCCCC1	C74262
N#CC(C#N)=NNC1=CC=C(OC(F)(F)F)C=C1	C74911
O=C(/C=C/C1=CN=CC=C1)C1=CC=NC=C1	C72324
CC1=C(C(=O)N[C@@H](CSC2=CC=CC=C2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C=CC=C1O.CS(=O)(=O)O	C73028
CC1=CC=C(/C=N/NC(=O)C2=C(OC3=CC=CC=C3)C=CC=C2)O1	C71451
N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	C77102
O.O.O.O=C(O[V+]1(=O)OC(=O)C2=C(C=CC=N2)O1)C1=NC=CC=C1O.[HH2-]	C75269
O=C1NC(=O)[C@H](C2=CN3CCCC4=CC=CC2=C43)[C@H]1C1=CNC2=C1C=CC=C2	C77073
CC(C)C1=CC(C2=CC=C(F)C3=CC=CC=C32)=NC(N)=N1.Cl	C73789
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O	C75211
O=S(=O)(/N=C/C1=C(O)C=CC2=CC=CC=C21)C1=CC=CS1	C74585
OC1=CC(Br)=C(C(F)(F)F)C=N1	C71869
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC	C75537
CC(=O)C1=CC([N+](=O)[O-])=C(SC2=C(F)C=C(F)C=C2)S1	C71981
CC1=CC=C(S(=O)(=O)N2C(N)=NC3=C2C=CC=C3)C=C1	C76555
O=CN1CC/C(=C\C2=CC3=C(C=C2)OCO3)C1=O	C74090
O=C(O)C1=CC=C(NC2=C3C(=O)C4=C(C=CC=C4)C4=C3C(=NO4)C(N3CCN(C4CCCCC4)CC3)=C2)C=C1	C77001
O=C(O)[C@H](O)[C@@H](O)C(=O)O.OC1=CC2=C(C=C1)[C@H](C1=CC=C(OCCN3CCCC3)C=C1)[C@H](C1=CC=CC=C1)CC2	C73647
Cl.NCC1=CC=C(C2=NN=CN=N2)C=C1	C72637
CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](O)COC1=CC=CC(Cl)=C1C#N.Cl	C74657
COC1=CC=C2C(=C1)N=C(NC1=NC(=O)C(C)=C(C)N1)N=C2C	C74930
CCOC(=O)[C@H](CC1=CC=C([N+](=O)[O-])C=C1)NC(=O)C1=CC=CC=C1	C75752
CNC1=NC(C2=CC3=C(C=C2)C(N)=NN3)=CC(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)=N1	C71892
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O	C76035
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1=CC=C([C@@H]2CC[C@@H](C3=CC=C(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C3)N2C2=CC=C(C(C)(C)C)C=C2)C=C1)C(C)C	C72037
COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1	C73195
O=C(O)C1=C(C2CCCC2)C=C(C2=CNC3=C2C=C(C2=CC=CC=C2)C=N3)C=C1	C76995
C/C(=C\C1=CC=C(C(=O)O)C=C1)C1=CC2=C(C=C1)C(C)(C)CCC2(C)C	C76272
O=C(NO)C1=CC(O)=C(O)C=C1	C76222
CC1=C(N(C)C)C=CC(CN2C=NC3=C2C[C@@H](C(=O)O)N(C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C3)=C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	C72465
Cl.O=C(C1=CC=C(C2=CC=C(Cl)C=C2)O1)N(CC1=NC=CC=C1)C1=CC=C(N2CCNCC2)C=C1	C72259
CC1=C2CCCC2=C(OC[C@H](O)[C@H](C)NC(C)C)C=C1.Cl	C76313
NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C=NC2=N1	C77171
CCS(=O)(=O)N1CCN(C2=CC=C(NC3=NC(NC4CC4)=C(C(N)=O)C=N3)C=C2)CC1	C71670
C[C@H](NC1=NC(N2CCCC2)=NC2=CC=CC=C21)C1=CC=CC=C1	C76083
CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC1=CC2=C(C=C1)C(C)=CC(=O)O2	C76073
CN1CC[C@@H](C2=C(O)C=C(O)C3=C2OC(C2=C(Cl)C=CC=C2)=CC3=O)[C@@H](O)C1.Cl	C72284
O/N=C1/C2=NC3=CC=CC=C3N=C2C2=C1C=CC=C2	C74192
CN1CCN(C(=O)C2=CC3=C(C=CC(Cl)=C3)N2)CC1	C75235
CC(=O)[C@@]1(O)CC2=C(C(O)=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)[C@H](O)C1	C75832
CS(=O)(=O)NC1=C(OC2CCCCC2)C=C([N+](=O)[O-])C=C1	C71930
NC(=O)C(C1=CC=CC=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1	C74487
CC(C)(NS(=O)(=O)C1=CC=C2C(Cl)=CN=C(NC(=N)N)C2=C1)C(=O)O.Cl	C74327
O=C(N/N=C/C1=C(O)C=CC2=CC=CC=C21)C1=CC=NC=C1	C76546
Cl.O=S(=O)(C1=C2C=CC=C(I)C2=CC=C1)N1CCCNCC1	C71356
CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C	C72110
CCCN[C@H]1CCC2=C(C1)SC(N)=N2.Cl.Cl	C71186
NC(=S)N/N=C/C1=NC=CC=C1N	C72706
CN1C[C@@H]2C[C@H]1CN2C1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)C2=C1.CS(=O)(=O)O	C71643
CC(C)(C)N1N=C(C2=CC=C(Cl)C=C2)C2=C(N)N=CN=C21	C73316
O=C(/C=C/C1=NC2=CC=CC=C2C=C1)C1=CC=NC=C1	C75180
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=C(O)C=CC(Cl)=C1	C77350
CC(C)OC1=CC=C(C2=CN3N=CC(C4=CC=NC5=CC=CC=C54)=C3N=C2)C=C1	C71710
Cl.N[C@H]1CCCCN(C2=C(Cl)C3=C(C=C2F)C(=O)C(C(=O)O)=CN3C2CC2)C1	C75052
FC1=CC([Ir](C2=C(C3=NC=CC=C3)C=CC(F)=C2)C2=C(C3=NC=CC=C3)C=CC(F)=C2)=C(C2=NC=CC=C2)C=C1	C74912
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)O	C71775
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C	C71778
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)O	C71845
O=[N+]([O-])C1=C(S(=O)(=O)C2=CC=CC=C2)C=CC(Cl)=C1	C76782
CC1=C(C(=O)OCCN(CC2=CC=CC=C2)C2=CC=CC=C2)[C@H](C2=CC([N+](=O)[O-])=CC=C2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1.CCO.Cl	C71370
CNCC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)N2)C=C1	C74459
O=C(/C=C/C1=CC=CC=C1)N[C@@H](NC(=S)NC1=CC=CC2=CC=CN=C21)C(Cl)(Cl)Cl	C75050
COC1=CC=C(N2C(SCCCN3C(=O)C4=CC=CC5=CC=CC(=C54)C3=O)=NN=C2C2=CC=NC=C2)C=C1	C76678
O=C(O)C1=CC=C(/C=C2\SC(=S)N(C3=CC(C(F)(F)F)=CC=C3)C2=O)C=C1	C74583
CC1=CC=C(C2=C(COC3=CC=C(CCC(=O)O)C=C3)C=C(F)C=C2)C=C1	C72503
NC[C@@H]1O[C@H](N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H]1O	C75081
CC1=C(OCCCC(=O)NO)C=CC(Cl)=C1	C77393
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC3=C2NC=C3Cl)C=C1	C73201
COC1=CC(OC)=CC(C2=CC3=CN=C(N)N=C3N=C2NC(=O)NC(C)(C)C)=C1	C73670
COC1=CC2=C(NC3CCN(C(C)C)CC3)N=C(C3CCCCC3)N=C2C=C1OCCCN1CCCC1	C72005
CC1=CC=CN2C(=O)C(CCN3CCC(C4=NOC5=C4C=CC(F)=C5)CC3)=C(C)N=C12	C72178
O=C(NC1=CC=C2C(O)=CC(S(=O)(=O)[O-])=CC2=C1)NC1=CC2=CC(S(=O)(=O)[O-])=CC(O)=C2C=C1.[Na+].[Na+]	C73835
CCCCCCCCCCCCCCCC[N+]1=C(C)N(CC2=CC=CC=C2)C=C1.[I-]	C74441
N=C(N)NCCC[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	C74288
CC1=CC(=O)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O	C74025
CC(C)(C)C1=CC(C=C(C#N)C#N)=CC(Br)=C1O	C76059
CN1CCN(CCCCN2C(=O)CN(/N=C/C3=CC=C(C4=CC=C(Cl)C=C4)O3)C2=O)CC1.Cl.Cl	C72850
CC1=C(C2=CNC(C(=O)N[C@@H](CO)C3=CC(Cl)=CC=C3)=C2)N=C(NC2=C(Cl)C=C(F)C=C2)N=C1	C77026
N=C(N)NCCC[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O.O=C(O)C(F)(F)F	C75334
O=C(NC[C@H](O)CNC1=CC=C(N2CCOCC2=O)C=C1)C1=CC=C(Cl)S1	C76299
CC(=O)C1=CC([N+](=O)[O-])=C(SC2=CC=CC(Cl)=C2Cl)S1	C76908
CNC1=NC=C2C=C(C3=CC(NC(=O)NCCC(C)(C)C)=C(F)C=C3C)C(C)=NC2=N1	C72761
COC1=C(OCCCN2CCCC2)C=C2N=C(N)C3(CCC3)C2=C1	C72892
CC1=CC(=O)OC2=C1C=CC(O)=C2C=O	C72589
CNC(=O)C1=C(C)OC2=C1C=CC(OC1=NC=NC3=CC(OC)=C(OC)C=C31)=C2	C71641
NCC1CCN(C2=NC(C3=CC4=CC=CC=C4C=C3)=CC=N2)CC1	C71411
OC1=CC=C(C2=C3N=C(C(F)(F)F)C=C(C(F)(F)F)N3N=C2C2=CC=CC=C2)C=C1	C76580
CN1C(=O)C(O)=C(C(=O)NCC2=CC=C(F)C=C2)N=C1N1CCCCS1(=O)=O	C76322
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O	C76381
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCN(C2=C3C=CC(Cl)=CC3=NC=C2)CC1	C76482
O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)C1=CNC2=C1C=CC=C2	C71510
C[C@H](NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	C73440
COC(=O)C1=CC(NC(=O)COC2=CC=C(C34CC5CC(CC(C5)C3)C4)C=C2)=C(O)C=C1	C77209
CC1=C(C2=CN3C=CN=C3C=C2)C=C(C#N)C(=O)N1	C71263
CN1CCCN(C(=O)C2=CC=CC(C3=CC=C(/C=C4/C(=O)NC5=C4C=C(Cl)C=C5)O3)=C2)CC1.Cl	C72415
Cl.O=C1C=C(N2CCNCC2)OC2=C1C=CC=C2C1=CC=CC=C1	C73922
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O	C71402
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	C71403
N#C/C(=C\C1=CC=C(C2=C(Cl)C=CC(Cl)=C2)O1)C(=O)NC1=CC=CC2=NC=CC=C12	C74569
COC1=C(OC)C=C2C(=C1)CC(C)(C)N1C2=CC2=NC3=CC=CC=C3N=C21	C73158
OCC1=C(O)C=CC([C@@H](O)CNCCCCCCOCCCCC2=CC=CC=C2)=C1	C77008
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CN([C@@H](CC1=CC=C(OS(=O)(=O)C2=CC=CC3=CN=CC=C32)C=C1)C(=O)N1CCN(C2=CC=CC=C2)CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	C72130
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CC1(C)CC(=O)C2=C(C1)N(C1=CC(N[C@H]3CC[C@H](OC(=O)CN)CC3)=C(C(N)=O)C=C1)N=C2C(F)(F)F.CS(=O)(=O)O	C71554
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CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)[C@@H](C)O	C73989
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O=C1C[C@@H](C(=O)NC2=CC=C(C[C@H](NC(=O)OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)C(=O)O)C=C2)NC(=O)N1	C14457
O=C(O)[C@H]1CCC2=C(C=CC=N2)C1	C14468
NC1=C2CC=CC2=CC=C1	C14577
COC(=O)/C=C(/CC1=CC(F)=C(F)C=C1F)NC(C)=O	C14428
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)O)C1	C14435
CC1=C(C(=O)N2CCN(C3=C(Cl)C=C([N+](=O)[O-])C=C3)CC2)C(C2=CC=C(O)C=C2)=NO1	C14502
O=C1CC2=C(C=CC=C2O)N1	C14609
O=CC1=CN=C(C2=NC=C(C=O)C=C2)C=C1	C14644
[N-]=[N+]=N[C@@]1(COC(=O)C2=CC=CC=C2)O[C@H](N2C=CC(=O)NC2=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1	C14652
Cl.NC1=C2C=CC=CN2N=C1	C14653
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)OCP2C(C)(C)C	C14664
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1F.Cl	C90101
CN(C)[C@H]1CC[C@H](N)CC1.Cl	C14691
COC1=CC=CC(OCCCN)=C1C1=CC(NC2=NC=C(C#N)N=C2)=NN1.Cl.Cl	49915
C[C@H]1CNC(=O)C2=CC3=C(N=C(C(=O)O)C=C3)N21	V10291
CC(C)(C)OC(=O)N1CCC[C@H](Br)C1	C14634
[N-]=[N+]=N[C@@]1(CI)O[C@H](N2C=CC(=O)NC2=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1	C14702
NC1=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN([C@H]3CCCNC3)C2=NC=N1	C14723
CC(C)(C)OC(=O)N1CCC(C=O)(CI)CC1	C14731
NC1=C2C(CO)=NN([C@H]3CCOC3)C2=NC=N1	C14732
O=C(O)C1=C2C=CC(Br)=CN2C=N1	C14778
CC1=C(C2=C(C(=O)O)N=C(N3CCC4=CC=CC(C(=O)NC5=NC6=C(C=CC=C6)S5)=C4C3)C=C2)C=NN1CC12CC3CC(CC(C3)C1)C2	C14785
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H](N)C2	C14789
COC(=O)[C@H]1O[C@@H](C)[C@H](O)[C@H]1O	C14796
ClC1=NN=C(C2=CN(C3CC3)N=C2)C=C1	C14804
C1=CC=C(C[C@H]2COC(C3=C(P(C4=CC=CC=C4)C4=CC=CC=C4)C=CC=C3)=N2)C=C1	C14856
C1=CC=C([C@@H]2COC(C3=C(P(C4=CC=CC=C4)C4=CC=CC=C4)C=CC=C3)=N2)C=C1	C14858
COC1=CC=CC(CNC2=CC=C(S(=O)(=O)NC3=NC4=C(C=CC=C4)S3)C=C2)=C1O	C14908
CC1(C)CC2=C(C3=CC=CC=C3)C(C3=CC=C(Cl)C=C3)=C(CC(=O)O)N2C1	C14938
C[C@H](N)C1=CC=C(C(=O)NC2=C3C=CNC3=NC=C2)C=C1.Cl.Cl	C15092
OC1=C(F)C=C(C2=C(C3=CC=C(N4CCOCC4)C=C3)C=CN=C2)C=C1F	C15013
COC1=C(N=C=O)C=C(C(F)(F)F)C=C1	C15036
NS(=O)(=O)C1=CC=C(N2N=C(C(F)(F)F)C=C2C2=CC=C(Cl)C=C2)C=C1	C15063
C=C1C(=O)O[C@H]2C[C@@]3(C)[C@H](CCC(C)=O)[C@H]3C[C@@H]12	C15098
CN(C)CCCC1(O)C2=C(C=CC=C2)C=CC2=C1C=CC=C2	C15132
NC(=O)C1=CC=CC([N+](=O)[O-])=C1I	C15183
CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C(=O)C1=CC3=C(C=C(N(CCCC)CCCC)C=C3)OC1=O)C(=O)O2	C15192
N[C@@H](CS)C(=O)NCC(=O)O	C15199
COC1=NC=CC(C2=C(C3=CC=C(F)C=C3)N=CN2C2CCNCC2)=N1	C15210
CC(C)(C)OC(=O)N1CC[C@H](N2N=C(CC3=CC=CC=C3)C3=C(N)N=CN=C32)C1	C15220
FC(F)(F)C1=CC=CC(C2=NOC(C3=CC(C4=CC=CC=C4)=C(C(F)(F)F)S3)=N2)=C1	C15425
CC1=CC(O)=C(N)N=C1	C15261
CC(C)(C)C(=O)OC[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C	C15363
O=C1C=NN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=S)N1	C15462
NC1=CC2=C(C=C1)NC1=C(C=CC=C1)C2=O	C15477
CN1N=C(N)C2=CN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C3=NC=NC1=C23	C15666
NC1=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN(C3CCCC3)C2=NC=N1	C15589
OC1CCN(CC2=CC=CC=C2)CC1C(F)(F)F	C15696
CCCOC1=C(C2=NC(=O)C3=C(N=NN3)N2)C=CC=C1	C15701
CCC1=CNC(C(=O)OC)=C1	C15752
CC1(C)CCC(C)(C)C2=CC(CN3C=CC=N3)=C(/C=C/C3=CC=C(C(=O)O)C=C3)C=C21	C15763
NC1=NC=NC2=C1C(CC1=CC=CC=C1)=NN2	C15793
COC1=CC(OC)=C2C(=O)OC(=O)C2=C1	C15828
CCOC1=CC=C(N2C(=O)C3=CC=CN=C3N=C2[C@H](C)N(CC2=CN=CC=C2)C(=O)CC2=CC=C(OC(F)(F)F)C=C2)C=C1	C15830
COC(=O)C1=CC2=C(C=C1)NC(C)=C2	C16013
CC1=C(OCC2=CC=CC=C2)C=CC(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2C2=CC=NC=C2)=C1	C15855
CCCC1=CC(O)=CC(O)=C1C(=O)OC	C15983
CCCCCC1=CC(O)=CC(O)=C1C(=O)OC	C16022
C[N+](C)(C)CCO.C[N+](C)(C)CCO.S=[Mo](=S)([S-])[S-]	C16169
CCN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O	C16195
N#CC1=CC=CC(C(=O)NC2=CC(C3=CC=CC=C3)=NN2C2=CC=CC=C2)=C1	C16376
COC1=CC=C2C(C(=S)N(C)CC(=O)O)=CC=CC2=C1C(F)(F)F	C16427
[N-]=[N+]=N[C@H]1CCNC[C@@H]1O	C16514
C[C@]1(O)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@@H]1N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O	C16523
NC1=NC2=C(C=CN2[C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)N1	C16526
N[C@H]1COC2=NC=CC=C21	C16545
CC(C)(C)OC(=O)N1CCC[C@@]12C[C@@H]1SCC[C@@H](C(=O)O)N1C2=O	C16633
NC1=NC=CC2=C1NCCC2	C16827
C#CCOCCOCCC(=O)OC(C)(C)C	C70826
C#CCOCCOCCOCCOCC(=O)OC(C)(C)C	C70832
C#CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C	C70835
C#CCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C	C70836
COC(=O)[C@@H]1CC[C@@H](N)CN1C(=O)OC(C)(C)C	C16701
CCOC(=O)C1=CC2=CC(C(F)(F)F)=CN=C2N1	C16716
COC1=CC(C(O)C(CO)OC2=C(OC)C=CC=C2)=CC(OC)=C1O	C16725
COC1=CC=C2C=C(C3=C(C4=CC=NC=C4)N=C(C4=CC=C([S@](C)=O)C=C4)N3)C=CC2=C1	C16798
C[C@H](NC(=O)CC1=CC=C(C2CC2)C=C1)C1=NC=C(OCC(F)(F)F)C=C1	C16811
C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2C(=O)CCC[C@]21C	C16824
NC1=C2N=CN([C@H]3O[C@@H](CSCC[C@@H](N)C(=O)O)[C@H](O)[C@@H]3O)C2=NC=N1	C16857
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS	C70795
CC(C)(C)OC(=O)COCCOCCBr	C70802
CC(C)(C)OC(=O)CCOCCOCCSSCCN=[N+]=[N-]	C70819
CC[C@H](N)CC1=CC=CC=C1	Y13611
Cl.N[C@@H](CC(=O)O)C1=C(O)C=CC=C1	Y13612
C[C@H](N)CC(=O)OC(C)(C)C	Y13613
CC1=CC(Br)=C2C=CNC2=N1	P19191
COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y13614
CCCCCCCOC1=CC=C(C2=CC=C(C(=O)O)C=C2)C=C1	Y13615
CN(C)C[C@@H](N)CC1=CC=CC=C1	C78126
C1=CN=CC([C@@H]2CC=CCN2)=C1	C90150
CC(C)(C)C1=CC(O)(CCC(=O)O)C=C(C(C)(C)C)C1=O	C90155
CC1=C(C)C(C2=C(C3=C(C)SC(C)=C3C)C(=O)OC2=O)=C(C)S1	T70093
O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O	T70107
CN(C)S(=O)(=O)C1=CC=C(N2CC[C@H](N=C=S)C2)C2=NON=C12	T70379
CC1=CC(=C(C#N)C#N)C(C)=CC1=C(C#N)C#N	T70313
CC1=C(C2=C(C3=C(C)SC4=C3C=CC=C4)C(F)(F)C(F)(F)C2(F)F)C2=C(C=CC=C2)S1	T70238
CC(=O)N[C@@H]1[C@@H](OCCN=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@H]1O	T70268
CC(=O)C[C@@H](C1=CC=C([N+](=O)[O-])C=C1)C1=C(O)C2=C(C=CC=C2)OC1=O	T70324
CC1=CC(C)=C([C@@H](N)[C@H](N)C2=C(C)C=C(C)C=C2C)C(C)=C1	T70472
O=C1C=C(CO)C2=CC(Br)=C(O)C=C2O1	T70589
CC1=CC(C)=CC(N(C2=CC=C(N(C3=CC=C(C4=CC=CC=C4)C=C3)C3=CC=C(N(C4=CC(C)=CC(C)=C4)C4=CC(C)=CC(C)=C4)C=C3)C=C2)C2=CC(C)=CC(C)=C2)=C1	T70648
CCCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)C(=O)C[C@]21C	T70655
FC1=CSC(Br)=C1	T70774
C1COCCNCCOCCN1	T70724
OC1=CC=CN=C1C1=C(O)C=CC=N1	T70828
OC[C@@H]1O[C@H](N2C=NC3=CC(Cl)=C(Cl)C=C32)[C@@H](O)[C@H]1O	T71029
NC1=NC=C2NC3=C(C=CC=C3)C2=C1	T71284
CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCC3=CC=CC=C3)C2)C1	C90157
CCC(C1=CC=CC=C1)=C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1	T71450
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N.CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O	A11844
O=C1OC2=C(C=CC(O)=C2)C=C1C(=O)ON1C(=O)CCC1=O	T71729
OC1=C2C(=CC=C1)CCC21CCC2=CC=CC(O)=C21	T72105
FC1=CSC=C1	T72274
NC1=[N+]([O-])C2=CC=CC=C2[N+]([O-])=N1	T72208
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1	T72280
O.O.O.O.O.O=P([O-])(O)C(O)(CC1=CN=CC=C1)P(=O)(O)O.O=P([O-])(O)C(O)(CC1=CN=CC=C1)P(=O)(O)O.[Na+].[Na+]	T72305
O=C1CCC[C@H](C2=CC=CC=C2)C1	T72344
NNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F	T72360
O=C(OC[C@H]1O[C@H](O/C(=N/C2=CC=C(C(F)(F)F)C=C2)SCC2=CC=C(C(F)(F)F)C=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1	T72467
N#CCCC(C#N)CCC#N	T72479
C1#CC2=C(C#CC3=C1C=CC=C3)C=CC=C2	T72580
CC1=CC(C)=C(C2=C3C=CC(=N3)C(C3=C(C)C=C(C)C=C3C)=C3C=CC(=C(C4=C(C)C=C(C)C=C4C)C4=NC(=C(C5=C(C)C=C(C)C=C5C)C5=CC=C2N5)C=C4)N3)C(C)=C1	T72626
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC	T72738
O=CC1=CC2=C(C=C1)OCCOCCOCCOCCO2	T72695
CC1=CC(=O)OC2=C1C=CC(O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)=C2	T72837
C1=CC2=C3C(=C1)CCC1=CC=CC(=C13)CC2	T72941
CCC1C/C(=C\C2=CN=CC=C2)C(=O)/C(=C/C2=CN=CC=C2)C1	A11924
O=C(O)CCN1C2=C(C=CC=C2)C2=C1CC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1)C2	A11926
N#C/C(=C\C1=CC(O)=C(O)C=C1)C(=O)NCCCC1=CC=CC=C1	A12014
C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O	A11871
CCCCCCCCCCCCC#CC#CCCCCCCCCCO	T73074
O=C(O)C1=C(NCCCC2=CC=CC=C2)C=CC([N+](=O)[O-])=C1	A11876
CN(C)CC1=CC=CC(N/C(C2=CC=CC=C2)=C2\C(=O)NC3=C2C=CC(C(N)=O)=C3)=C1	A11889
O=CC1=C([N+](=O)[O-])C=CC(OCC(=O)O)=C1	A11865
NS(=O)(=O)C1=CC=CC2=C3NC(=O)C(=O)NC3=CC([N+](=O)[O-])=C12	A11933
COC1=CC2=C(C=C1)NC(C(=O)N1CCC(CC(C)(C)O)CC1)=C2	A11900
C=CCC1=CC(O)=C(O)C=C1	A11902
COC1=CC=CC(/C=N/N(C(=O)C(F)(F)F)C2=C(C)C=C(C)C=C2)=C1	A11910
N#CC1=C([N+](=O)[O-])C=C2NC(=O)C(=O)NC2=C1	A11914
CC[C@@]12C=CCN3CC[C@]4(C5=CC([C@]6(C(=O)OC)C[C@H]7CN(CCC8=C6NC6=C8C=CC=C6)C[C@@](O)(CC)C7)=C(OC)C=C5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32.O=S(=O)(O)O	A12050
COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC(NCC(=O)[O-])=C(OC)C=C2)C(OC)=C1.[Na+]	A11955
CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.O=C(O)/C=C/C(=O)O	A11958
NC1(C2=NC=C(Br)C=C2)CCC1	A11977
CN1CCC2=CC(Cl)=C(O)C=C2[C@H](C2=CC=CC=C2)C1.Cl	A11980
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1.CS(=O)(=O)O	A12071
CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C(C)(C)CNCC(C)(C)C)C=N1	A11993
CC(C)(OCC1=NN(CC2=CC=CC=C2)C2=C1C=CC=C2)C(=O)O	A12002
N#C/C(=C\C1=CC(O)=C(O)C=C1)C(=O)NC1=CC=CC=C1	A12015
O=C(NC1=CC=C(Cl)C=C1)[C@H]1CCCN(C(=O)C2=CC(C3=CC=CO3)=CC=C2)C1	A12055
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)COC2=CC=CC(C(F)(F)F)=C2)[C@@H](O)C[C@H]1O	A12104
CC(=O)N[C@@H]1[C@@H](OC[C@@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	A12113
CC1=CC([N+](=O)[O-])=C(NS(=O)(=O)C2=C(C(=O)O)C=CC=C2)C=C1C1=CN=CC=C1	A12118
N[C@H]1CN(C2=C(F)C=C3C(=O)C(C(=O)O)=CN([C@H]4C[C@H]4F)C3=C2Cl)CC12CC2.O	A12123
C=C1CCN([C@@H](C)[C@@](O)(CN2C=NC=N2)C2=C(F)C=C(F)C=C2)CC1	A12128
CN(C)C[C@H]1CCN2C=C(C3=C2C=CC=C3)C2=C(C(=O)NC2=O)C2=CN(CCO1)C1=C2C=CC=C1.Cl	A12136
OCC1=CC=C(C2=NN(CC3=CC=CC=C3)C3=C2C=CC=C3)O1	A12138
CS(=O)(=O)O.N=C(N)SCCC1=CC=C(OCC2=CC=C([N+](=O)[O-])C=C2)C=C1	A12170
NC1=NC(NC2CC2)=C2N=CN([C@@H]3C=C[C@H](CO)C3)C2=N1.NC1=NC(NC2CC2)=C2N=CN([C@@H]3C=C[C@H](CO)C3)C2=N1.O=S(=O)(O)O	A12187
Cl.Cl.O[C@@H](CN1CCN(C2=CC=CC(Cl)=C2)CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	A12209
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO	A12474
C[C@H](C1=NC(C2=CC=C(C#N)C=C2)=CS1)[C@@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	A12327
COC1=CC=C(CNC2=NC(NCC3=CC=C(OC)C=C3)=C3N=CN(C(C)C)C3=N2)C=C1	A12366
O=C(/C=C/C1=CC=C(O)C=C1)CC(=O)/C=C/C1=CC=C(O)C=C1	A12429
CCCCCCCCCCCCCCCCCCN1C2=C(C=CC=C2)O/C1=C/C=C/C1=[N+](CCCCCCCCCCCCCCCCCC)C2=C(C=CC=C2)O1.O=Cl(=O)(=O)[O-]	A12434
O=[P@]1(N(CCCl)CCCl)NCCCO1	A12571
CC1=CC(C)=C(NC(=O)C2CC3CCC2C3)C(C)=C1	A12562
CC1(C)[C@@H]2CC[C@@]1(C)C(Cl)C2	A12542
C1=CC2=C(C=C1)C1=C(C=CC=C1)[I+]2.[Cl-]	A12544
OC1=CC2=C(C=C1)NN=N2	A12615
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O	A12628
N#C/C(=C\C1=CN(C2=CC=CC=C2)C2=C1C=CC=C2)C(=O)O	A12644
CC1=C(NC2=NC(C3=CN=CC=C3)=CC=N2)C=C(NC(=O)C2=CC=C(C[N+]3([O-])CC[N+](C)([O-])CC3)C=C2)C=C1	A12655
[N-]=[N+]=NC1=CC(C(=O)ON2C(=O)CCC2=O)=C([N+](=O)[O-])C=C1	A12677
S=C=NC1=CC=CC(NC(=S)NCCCCNC(=S)NC2=CC=CC(N=C=S)=C2)=C1	A12786
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	A12743
COCC(=O)NC1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I	A12801
CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC	A12802
O=CC1=CN(CC2=CC=C(Cl)C=C2)C2=C1C=CC=C2	A12822
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1C1=CC=CC2=NON=C12	A12823
C[C@H]1CCC2=C1C=CC=C2	A12834
O=C(O)[C@@H](O)CC1=CC(O)=C(O)C=C1	A12835
ClC1=CC(NC2=NN=C(C3=CC=CC=C3)C3=CC=CC=C32)=CC=C1	A12847
NC1=NC[C@H]2C3=C(C=CC=C3)CC3=C(C=CC=C3)N12	A12854
COC(=O)C1=C2C=COC2=CC(OC)=C1	A12957
CNC1(C)[C@H]2CC[C@H](C2)C1(C)C.Cl	A12869
C1=CC=C(C2=C(C3=CC=CC=C3)C3=C(NC[C@H]4CCCO4)N=CN=C3O2)C=C1	A12906
CC(C)(C)OC(=O)NC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y13624
BrC1=CC([C@@H]2CCCCN2)=CC=C1	Y13637
CC(C)(C)OC(=O)N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O	Y13638
O=C(CC1=CC=CC=C1)C1=CN=CC=C1	Y13616
OC1=CC=C(Br)C2=CC=NC=C12	K10260
CC1=CC=CC(C2=NNC=C2C2=CC(C3=CN(CCO)N=C3)=C(F)C=C2)=N1	49916
OB(O)C1=CN=C2OCOC2=C1	P19196
Cl.N[C@@H](CC(=O)O)C1=CC=C(O)C=C1	Y13617
CCOC1=CC=C([C@H](C)NC)C=C1	Y13618
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC=CC2=CC=CC=C21	Y13619
COC1=C(Br)C=C([C@@H](N)CC(=O)O)C=C1.Cl	Y13620
Cl.NC(CC1=CC=CC=C1)CC1=CC=CC=C1	Y13622
COC1=C(OC)C=C(C(=O)C(C)C)C=C1	Y13623
Cl.N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1Cl	Y13625
COC1=CC([C@@H](N)CC(=O)O)=C(OC)C=C1.Cl	Y13626
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CS1	Y13627
COC1(OC)CC(C=O)C1	P19199
CC[C@H](N)CC#N.Cl	Y13628
O=C(O)C1=CC=CC2=C1CCCC2=O	Y13630
O=C(CC1=CC=CC=C1)C1=CC=CC(Br)=C1	Y13631
CCOC(=O)CCC(=O)C1=CC=CC(Cl)=C1Cl	Y13632
Cl.N[C@@H](CC(=O)O)C1=CC=CC2=C1OC(F)(F)O2	Y13633
COC1=CC(OC)=C([C@H](C)N)C=C1.Cl	Y13634
C[C@H]1CC[C@@H](C(=O)O)CC1	C90647
COC1=CC(OC)=CC([C@@H](N)CC(=O)O)=C1.Cl	Y13635
ClC1=C(Cl)C=C([C@@H]2CCCN2)C=C1	Y13636
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1	Y13639
COC(=O)[C@H](CC1=CC=C(N)C=C1)NC(=O)OC(C)(C)C	Y13641
COC1=NC=C([C@H](CC(=O)O)NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1	Y13660
N[C@H]1CCC2=C(Cl)C=CC=C21	Y13708
O=CC1=CC=C(C2=C(C3=NN=NN3)C=CC=C2)C=C1	C90689
CC(C)(C)OC(=O)NC12CCC(N)(C1)C2	P18980
Cl.FC(F)(F)C1=CC([C@H]2CCNC2)=CC=C1	Y13648
BrC1=NN=C2C=NC=CN12	P18987
CC(C)(C)OC(=O)N1CC[C@H](C2=CC=C(C(=O)O)C=C2)C1	Y13649
CC(C)(C)OC(=O)N1CCC[C@H]1C1=CC=C(C(=O)O)C=C1	Y13650
O=C(CCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O.[Na+]	C93445
CC(C)(C)OC(=O)N1CCC[C@H]1C1=CC(C(=O)O)=CC=C1	Y13651
COC(=O)[C@@H](N)CC1=CC=C(C2=CC=CC=C2)C=C1.Cl	Y13652
CC1(C)C[C@@H]1C(N)=O	P18982
FC(F)(F)C1=C([C@@H]2CCCN2)C=CC=C1	Y13640
Cl.N[C@@H](CC(=O)O)C1=C(F)C=CC(F)=C1F	Y13642
COC1=C(F)C=C([C@@H](N)CC(=O)O)C=C1.Cl	Y13643
Cl.N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OC(F)(F)O2	Y13644
COC1=CC2=C(C=C1)C(=O)CCS2	Y13645
O=C1CCOC2=C1C=C(OC(F)(F)F)C=C2	Y13646
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC2=CC=CC=C21	Y13647
O=C(C1=C(F)C=C(F)C=C1)C1CC1	Y13653
O=C(C1=CC(Cl)=C(Cl)C=C1)C1CCCC1	Y13654
CC1=C([C@@H]2CCCN2)C=CC=C1	Y13690
Cl.O=C(O)C12CC[C@@H](C1)NC2	P18995
Cl.N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O	Y13731
COC(=O)C[C@H](N)C1=C(Br)C=CC=C1.Cl	Y13732
COC(=O)C[C@H](N)C1=C(Br)C=CC=C1.Cl	Y13733
CCOC(=O)CCC1=C(Br)C=C(OC)C=C1	C90188
CC1=CC=CC2=C1[C@@H](C)CC2=O	Y13744
CC1=CC2=C(C=C1)CCCC(=O)N2	Y13655
Cl.N[C@@H](CC(=O)O)C1=C(O)C=CC=C1	Y13656
COC1=CC(OC)=CC([C@@H](N)CC(=O)O)=C1.Cl	Y13657
O=C(O)C1C2CN(C(=O)OCC3=CC=CC=C3)CC21	P19950
Cl.O=C1NC2=C(C=CC(Br)=C2)C12CCNCC2	P19951
O=C(O)C1=CN=CC(N2CCOCC2)=C1	Y13658
O=[N+]([O-])C1=C2NCCC2=C(F)C=C1	P18989
COC1=NC=C([C@H](CC(=O)O)NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1	Y13659
COC(=O)[C@@H](N)CC1=CC=C(C2=CC=CC=C2)C=C1.Cl	Y13661
OB(O)C1=CC=NC2=C1C=C(C(F)(F)F)N2	C90232
COC1=C(Cl)C=C([C@@H]2CCCN2)C=C1	Y13662
C1=CC([C@@H]2CCCCN2)=CS1	Y13663
CC1=C(F)C=CC=C1[C@@H](N)CC(=O)O.Cl	Y13664
Cl.N[C@@H](CC(=O)O)C1=C(F)C=C(Br)C=C1F	Y13665
CC(C)(C)OC(=O)NC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y13666
C[C@H](NC(=O)OC(C)(C)C)C1=CC(N)=CC=C1	Y13667
CCOC(=O)C[C@H](N)C1=CC=CC=C1.Cl	Y13668
C[C@H](N)C1=C(O)C=CC=C1.Cl	Y13669
COC1=CC(O)=C([C@H](C)N)C=C1.Cl	Y13671
C[C@H](N)C1=C(F)C=CC(F)=C1F	Y13672
Cl.N[C@H]1CCCC2=C(O)C=CC=C21	Y13673
Cl.O=C(O)[C@H]1NCC[C@H]1O	P19954
COC1=CC(O)=C([C@H](C)N)C=C1.Cl	Y13674
Cl.N[C@H]1CCCC2=C(O)C=CC=C21	Y13675
FC1=CNC=C1F	P18993
Cl.N#CC[C@H](N)C1=CC=C(Cl)C=C1	Y13676
Cl.N#CC[C@H](N)C1=CC=C(Cl)C=C1	Y13677
C[C@H](N)C1=C(O)C=CC(Cl)=C1.Cl	Y13678
Cl.O=C(O)C12CC[C@@H](C1)NC2	P18994
CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13679
O=[N+]([O-])C1=NNC2=C1N=C(Cl)C=C2	C90703
CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13680
Cl.N#CC[C@H](N)C1=C(Cl)C=CC=C1	Y13681
Cl.N#CC[C@H](N)C1=C(Cl)C=CC=C1	Y13682
C[C@H](N)C1=CC=C(N(C)C)C=C1	Y13683
Cl.N#CC[C@H](N)C1=CC=CC(Cl)=C1	Y13684
Cl.N#CC[C@H](N)C1=CC=CC(Cl)=C1	Y13685
C[C@H](N)C1=C(OC(F)(F)F)C=CC=C1.Cl	Y13686
CC[C@H](N)C1=C(O)C=C(OC)C=C1.Cl	Y13687
CC[C@H](N)C1=C(O)C=C(OC)C=C1.Cl	Y13688
N[C@@H](CCC1=CC=CC=C1)C1=CC=CC=C1	Y13689
CC1=C([C@@H]2CCCCN2)C=CC=C1	Y13692
BrC1=CC([C@@H]2CCCCN2)=CC=C1	Y13693
Cl.N[C@@H](CC(=O)O)C1=CC(Br)=CC(Br)=C1	Y13695
Cl.N[C@@H](C(=O)O)C1=CC2=C(C=C1)OCCO2	Y13696
CCC[C@H](N)C1=CC=CS1	Y13697
COC1=CC2=C(C=C1)CC[C@@H]2N.Cl	Y13698
C=CC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y13700
C1=CC=C(OC2=CC=C([C@@H]3CCCN3)C=C2)C=C1	Y13701
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(Br)C=CC=C1	Y13702
C[C@H]1CNC[C@@H](C(=O)O)C1	P19965
Cl.N[C@@H](C(=O)O)C1=C(C(F)(F)F)C=CC=C1	Y13703
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(OC(F)(F)F)C=C1)C(=O)O	Y13704
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC(F)=C1F)C(=O)O	Y13705
CC(C)(C)OC(=O)N[C@@H](CC1=C(Cl)C=CC=C1Cl)C(=O)O	Y13706
C[C@@H]1CNC[C@@H](C(=O)O)C1	P19966
Cl.N[C@@H](CC(=O)O)C1=CC=C(C2=CC=CC=C2)C=C1	Y13707
CC(C)(C)OC(=O)N1CC2CCC2(N)C1	P19000
C[C@@H]1CNC[C@@H](C(=O)O)C1	P19967
C[C@H]1CNC[C@@H](C(=O)O)C1	P19968
Cl.N[C@H](C1=CC=C(C(=O)O)C=C1)C(F)(F)F	Y13715
CCCCC1=CC=C([C@@H](N)C(F)(F)F)C=C1	Y13716
CS(=O)(=O)C1=CC=C([C@@H](N)C(F)(F)F)C=C1.Cl	Y13717
COC1=C([C@@H](N)C(F)(F)F)C=C(Br)C=C1	Y13718
N#CC12CCC(CC1)N2	F53319
CC1=CC(C)=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y13719
C[C@H]1CN2N=CC=C2CN1	C90722
O=C(C1=CC(Cl)=NC=C1)C1CC1	Y13720
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCN1	Y13721
O=C(O)C1(CC2=CC=CC=C2)C2=C(C=CC=C2)OC2=C1C=CC=C2	C90185
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCN1	Y13722
CC1=CC2=C(C=C1)C(=O)C[C@@H]2C	Y13724
CN1C=C(/C(N)=N\O)C2=C1C=CC=C2	Y13725
CN[C@@H](C)C1=CC=CC(F)=C1	Y13726
Cl.N[C@H]1CCCC2=C1C=CC(O)=C2	Y13739
COC(=O)[C@@H](N)CC1=CC(F)=C(F)C=C1.Cl	Y13742
COC1=CC2=CC=C([C@H](C)N)C=C2C=C1	Y13743
C/C(=C\CO)B1OC(C)(C)C(C)(C)O1	AC2674
N[C@H](C1=CC=CC2=CC=CC=C21)C1CC1	Y13772
N[C@H](C1=CC=CC2=CC=CC=C21)C1CC1	Y13773
CC(C)(C)OC(=O)N1CCCC[C@H]1C1=CC=C(C(=O)O)C=C1	Y13794
COC1=CC([C@@H]2CCCCN2)=C(OC)C=C1.Cl	Y13795
COC(=O)C1=C2OCC[C@H](N)C2=CC=C1.Cl	Y13796
CN[C@@H](C)C1=CC=CC(F)=C1	Y13727
CC(C)(C)OC(=O)N1CCC(CO)(COCC2=CC=CC=C2)CC1	C90187
CN[C@@H](C)C1=CC=C(F)C=C1	Y13728
CC(N)C(C)O.Cl	Y13729
Cl.NCC1=C(O)C=CC(O)=C1	Y13730
COC(=O)C[C@H](N)C1=CC=C(C2=CC=CC=C2)C=C1.Cl	Y13734
COC1=C(O)C=C([C@H](C)N)C=C1.Cl	Y13735
Cl.O[C@@H]1C[C@@H]2CNC[C@@H]2C1	P19002
BrC1=CN=C2CCNC2=C1	P19003
COC1=C(O)C=C([C@H](C)N)C=C1.Cl	Y13736
CCOC1=CC([C@H](C)N)=CC=C1	Y13737
Cl.N[C@H]1CCCC2=C1C=CC(O)=C2	Y13738
CN(C)C1=CC=C(C(=O)NCCCCCCC(=O)O)C=C1	Y14759
COC(=O)CCCCCCNC(=O)C1=CC=C(N(C)C)C=C1	Y14760
CN(C)C1=CC=C(C(=O)NCCCCCCC(=O)NOCC2=CC=CC=C2)C=C1	Y14761
CC(C)(SCCC(=O)O)SCCC(=O)O	Y14763
CN1N=CC2=C(Cl)C=CN=C21	P19005
COC(=O)[C@@H](N)CC1=CC(OC)=C(OC)C=C1.Cl	Y13740
COC(=O)[C@@H](N)CC1=CC(O)=C(OC)C=C1.Cl	Y13741
Cl.NCC1=NNC(F)=C1	P19970
COC1=C(O)C=C([C@@H](N)C(C)C)C=C1.Cl	Y13745
CC(C)[C@H](N)C1=C(F)C=CC(F)=C1F	Y13747
CC(C)[C@H](N)C1=C(F)C=CC(F)=C1F	Y13748
CC1(C)C(=O)NC2=C1C=CC(C(=O)O)=C2	P19007
Cl.F[C@H]1CNC[C@@H]1F	P19008
CS(=O)(=O)C1=CC=C([C@@H](N)C(F)(F)F)C=C1.Cl	Y13750
CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13751
CC[C@H](N)C1=CC=CC2=CC=CC=C21.Cl	Y13752
CCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13754
CCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13755
CCC[C@H](N)C1=C2OCOC2=CC=C1.Cl	Y13756
CCC[C@H](N)C1=C2OCOC2=CC=C1.Cl	Y13757
CCC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13758
C[C@H]1CC(=O)NC2=CC=CC(Br)=C2N1	F53329
CCC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13759
CCCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13761
CCCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13762
CCCC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13763
CCCC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13764
CCCC[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y13766
CCCC[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y13767
N[C@H](C1=CC=CC=C1)C1CC1	Y13768
CC(C)(C)OC(=O)N1CC2C=C(C3=CC=C(C=O)C=C3)CC2C1	F53334
COC1=C(O)C=C([C@@H](N)C2CC2)C=C1.Cl	Y13770
CC(C)(C)OC(=O)N1C2CC(=O)CC1CN(C(=O)OCC1=CC=CC=C1)C2	C90205
COC1=C(O)C=C([C@@H](N)C2CC2)C=C1.Cl	Y13771
N[C@H](C1=C(F)C=CC(F)=C1F)C1CC1	Y13774
IC1=C2CCCNC2=NC=C1	P19495
N[C@H](C1=C(F)C=CC(F)=C1F)C1CC1	Y13775
N[C@H](C1=C(F)C=CC(Br)=C1)C1CC1	Y13776
N[C@H](C1=C(F)C=CC(Br)=C1)C1CC1	Y13777
CC(C)(C)OC(=O)N1CC2CC(=O)CC(C1)N2CC1=CC=CC=C1	C90208
Cl.N[C@@H](CO)C1=CC=CC(C(=O)O)=C1	Y13820
Cl.N[C@@H](CO)C1=CC=CC(C(=O)O)=C1	Y13821
N[C@@H](CO)C1=C(F)C=CC(F)=C1F	Y13822
N[C@@H](CO)C1=C(F)C=CC(F)=C1F	Y13823
N[C@@H](CO)C1=CC=C(C(F)F)C=C1	Y13895
N[C@@H](CO)C1=CC=C(C(F)F)C=C1	Y13896
COC(=O)C[C@H](N)C1=CC=CC(SC)=C1.Cl	Y13897
FC1=C(C(F)F)C=CC([C@@H]2CCCN2)=C1	Y13898
FC1=C(C(F)F)C=CC([C@@H]2CCCN2)=C1	Y13899
FC(F)C1=CC=C([C@@H]2CCCN2)C=C1	Y13900
FC(F)C1=CC=C([C@@H]2CCCN2)C=C1	Y13901
CS(=O)(=O)C1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y13902
CS(=O)(=O)C1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y13903
N[C@H](C1=C(Br)C=CC(F)=C1)C1CC1	Y13778
CC1(C)OB(C2=CN(C3=CN=CC=C3)N=C2)OC1(C)C	P19009
N[C@H](C1=C(Br)C=CC(F)=C1)C1CC1	Y13779
CS(=O)(=O)C1=CC=C([C@@H](N)C2CC2)C=C1.Cl	Y13780
CS(=O)(=O)C1=CC=C([C@@H](N)C2CC2)C=C1.Cl	Y13781
CC(C)(C)OC(=O)N1CCCC12CCC(N)C2	P19075
Cl.N[C@H](C1=C(O)C=CC(F)=C1)C1CC1	Y13784
Cl.N[C@H](C1=C(O)C=CC(F)=C1)C1CC1	Y13785
O=C(O)C1CC1C(F)F	P19011
CC1=CC(C)=C(C[C@H](N)CO)C=C1.Cl	Y13786
CC(C)(C)OC(=O)N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O	Y13787
CC(C)(C)OC(=O)NC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y13788
COC(=O)C1=CC2=C(C=C1)OCC[C@@H]2N.Cl	Y13789
O=C1COC2=C1C=C(F)C=C2	Y13790
O=C(O)C1=C(F)C=C(CO)C=C1	Y13791
COC(=O)C1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y13792
Cl.N#CC1=CC=C([C@@H]2CCCN2)C=C1	Y13793
COC1=CC2=C(C=C1)C(=O)C[C@@H]2C	Y13797
O=C1CCCCC2=C(Cl)C=CC=C12	Y13798
CS(=O)(=O)C1=CC=C([C@@H](N)C(F)(F)F)C=C1.Cl	Y13800
CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13801
CC[C@H](N)C1=CC=CC2=CC=CC=C21.Cl	Y13802
CCCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13884
CC(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13885
CC(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13886
CC(C)[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13887
CC(C)[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13888
Cl.N[C@H](C1=CC(F)=C(C(F)F)C=C1)C1CC1	Y13889
N[C@@H](CCCO)C1=CC=CC=C1	Y13950
N[C@@H](CCCO)C1=CC=CC=C1	Y13951
Cl.N[C@@H](CO)C1CC1	Y13952
CC1=CC(Cl)=C(CN)C=C1.Cl	Y13953
CC(=O)C1=C(C)N=CO1	Y13954
NCC1=C([N+](=O)[O-])C=C(Br)C=C1	Y13955
COC1=CC=C(NC2=CC=C(C#N)C=C2)C=C1	Y13956
C[C@H](N)C1=CC=C(OC2=CC=C(F)C=C2)C=C1.Cl	Y13957
CC1=CC2=C(C=C1)[C@@H](C)CC2=O	Y13958
C[C@H]1CC(=O)C2=C1C=CC(F)=C2	Y13959
C[C@H]1CC(=O)C2=C1C=CC(Cl)=C2	Y13960
C[C@H]1CC(=O)C2=C1C=CC(Br)=C2	Y13961
CS(=O)(=O)C1=CC=C([C@@H]2CCCCN2)C=C1.Cl	Y13808
Cl.FC1(F)OC2=C(O1)C([C@@H]1CCCCN1)=CC=C2	Y13812
COC1=CC(OC)=C([C@@H](N)CO)C=C1.Cl	Y13814
COC1=CC(OC)=C([C@@H](N)CO)C=C1.Cl	Y13815
COC1=C(O)C=C([C@@H](N)CO)C=C1.Cl	Y13816
COC1=C(O)C=C([C@@H](N)CO)C=C1.Cl	Y13817
Cl.N[C@@H](CO)C1=CC=C(C(=O)O)C=C1	Y13818
Cl.N[C@@H](CO)C1=CC=C(C(=O)O)C=C1	Y13819
Cl.N[C@@H](CO)C1=C(O)C=CC(F)=C1	Y13827
Cl.N[C@@H](CO)C1=C(O)C=CC(F)=C1	Y13828
C=C[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13829
C=C[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y13830
C=C[C@H](N)C1=C(F)C=CC(F)=C1F	Y13831
C=C[C@H](N)C1=C(F)C=CC(F)=C1F	Y13832
C=C[C@H](N)C1=CC=CC2=C1OC(F)(F)O2.Cl	Y13833
C=C[C@H](N)C1=CC=CC2=C1OC(F)(F)O2.Cl	Y13834
C=C[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y13835
Cl.N[C@H]1CCCC2=C1C=C(C(=O)O)C=C2	Y13837
Cl.N[C@H]1CCCC2=C1C=C(C(=O)O)C=C2	Y13838
Cl.N[C@H]1CCCC2=C(C(=O)O)C=CC=C21	Y13839
CC1=CC2=C(C=C1C)[C@@H](N)CCC2.Cl	Y13842
CC1=CC2=C(C=C1C)[C@@H](N)CCC2.Cl	Y13843
Cl.N[C@H]1CCOC2=C(C(=O)O)C=CC=C21	Y13844
Cl.N[C@H]1CCOC2=C(C(=O)O)C=CC=C21	Y13845
Cl.N[C@H]1CCOC2=C1C=C(C(=O)O)C=C2	Y13846
Cl.N[C@H]1CCOC2=C1C=C(C(=O)O)C=C2	Y13847
Cl.N[C@H]1CCOC2=C1C=CC(C(=O)O)=C2	Y13848
Cl.N[C@H]1CCOC2=C1C=CC(C(=O)O)=C2	Y13849
COC(=O)C1=C2OCC[C@H](N)C2=CC=C1.Cl	Y13850
COC(=O)C1=C2OCC[C@H](N)C2=CC=C1.Cl	Y13851
COC(=O)C1=C2CCC[C@H](N)C2=CC=C1.Cl	Y13852
COC(=O)C1=C2CCC[C@H](N)C2=CC=C1.Cl	Y13853
Cl.N[C@H]1CCCC2=C1C=C(O)C=C2	Y13854
COC(=O)C1=CC2=C(C=C1)OCC[C@@H]2N.Cl	Y13856
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CCO2.Cl	Y13857
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CCO2.Cl	Y13858
COC(=O)C1=C([C@@H]2CCCN2)C=CC=C1.Cl	Y13859
Cl.N[C@H](C1=C(C(=O)O)C=CC=C1)C1CC1	Y13860
Cl.N[C@H](C1=C(C(=O)O)C=CC=C1)C1CC1	Y13861
CC[C@H](N)CC1=CC=CC=C1	Y13862
BrC1=NC=C([C@@H]2CCCN2)C=C1	Y13863
COC(=O)[C@@H](N)CC1=CC=CN=C1Cl.Cl.Cl	Y13864
COC(=O)[C@@H](N)CC1=CN=CC=C1.Cl.Cl	Y13865
COC(=O)[C@H](CC1=CC=C(C2=CC=CC=C2)C=C1)NC(=O)OC(C)(C)C	Y13866
O=C1CCCC2=C(OC(F)(F)F)C=CC=C12	Y13867
COC1=CC=C2C=C(Br)C=CC2=C1C=O	Y13868
C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13869
C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13870
C[C@H](N)C1=CC=C(OC2=CC=C(F)C=C2)C=C1.Cl	Y13871
C[C@H](N)C1=CC=C(OC2=CC=C(F)C=C2)C=C1.Cl	Y13872
COC1=CC(OC)=C([C@@H](N)CO)C(O)=C1.Cl	Y13873
CC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13874
CC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13875
CC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13876
CCC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13877
CCC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13878
CCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13879
CCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13880
CCCC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13881
CCCC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13882
CCCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y13883
Cl.N[C@H](C1=CC(F)=C(C(F)F)C=C1)C1CC1	Y13890
CS(=O)(=O)C1=CC([C@@H]2CCCN2)=CC=C1.Cl	Y13979
Cl.O=C(O)C1=CC([C@@H]2CCCN2)=C(Cl)C=C1	Y13980
Cl.O=C(O)C1=C(Cl)C=CC([C@@H]2CCCN2)=C1	Y13981
CS(=O)(=O)C1=CC([C@@H](N)C(F)(F)F)=CC=C1.Cl	Y13982
CS(=O)(=O)C1=CC([C@@H](N)C(F)(F)F)=CC=C1.Cl	Y13983
CS(=O)(=O)C1=CC([C@@H]2CCCCN2)=CC=C1.Cl	Y13984
C=C[C@H](N)C1=C(F)C=C(Br)C=C1F	Y13986
C=C[C@H](N)C1=C(F)C=C(Br)C=C1F	Y13987
Cl.FC1(F)OC2=C(O1)C([C@@H]1CCCN1)=CC=C2	Y13988
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCCN1	Y13989
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCCN1	Y13990
Cl.N[C@H]1CCOC2=C(F)C=C(C(=O)O)C=C21	Y13991
Cl.N[C@H]1CCOC2=C(F)C=C(C(=O)O)C=C21	Y13992
Cl.N[C@H]1CCCC2=C(C(F)(F)F)C=CC=C21	Y13993
Cl.N[C@H]1CCCC2=C(C(F)(F)F)C=CC=C21	Y13994
Cl.N[C@H]1CCCC2=C1C=CC(C(F)(F)F)=C2	Y13995
CC1=C(Br)C=CC([C@@H](N)CC#N)=C1.Cl	Y14084
COC(=O)C[C@H](N)C1=CC=C(CCC(=O)O)C=C1.Cl	Y14085
Cl.O=C(O)C1=CC([C@@H]2CCCN2)=C(F)C=C1	Y14086
CSC1=CC([C@@H](N)CO)=CC=C1	Y13892
Cl.N[C@@H](CO)C1=CC(F)=C(C(F)F)C=C1	Y13893
Cl.N[C@@H](CO)C1=CC(F)=C(C(F)F)C=C1	Y13894
FC(F)(F)C1=CC([C@H]2CCNC2)=CC=C1	Y13904
CN[C@@H](C)C1=CC=C(Br)C=C1	Y13906
O=C(CC1=CC=CC=C1)C1CC1	Y14016
CC(C)(C)OC(=O)N[C@H](CO)CC1=CC=CC(F)=C1	Y14017
Cl.Cl.NC[C@H](N)C1CC1	Y14018
CC(C)(C)OC(=O)N[C@@H](CC1=C(Cl)C=C(F)C=C1)C(=O)O	Y14019
Cl.N[C@@H](CC1=C(F)C=C(Cl)C=C1)C(=O)O	Y14020
Cl.N[C@@H](CO)C1=C(F)C=CC=C1C(F)(F)F	Y14025
COC(=O)[C@H](CC1=CC=C(N)C=C1)NC(=O)OC(C)(C)C	Y14101
CC1=CC2=C(C=C1)C(=O)CO2	Y14103
OC1=CC2=C(C=C1)[C@@H](O)CC2	Y14104
Cl.OC1=CC=C([C@H]2CCNC2)C=C1	Y14105
COC(=O)C1=CC(F)=C2OCC[C@H](N)C2=C1.Cl	Y14106
Cl.NCC1=CC(F)=CC(O)=C1	Y14108
Cl.N[C@H](C1=CC=CC=C1)C1CCCC1	Y14109
CCC1=CC=CC2=C1NCCC2	Y13907
CCC1=CC2=C(C=C1)NCCC2	Y13908
BrC1=C2NCCCC2=CC=C1	Y13909
CS(=O)(=O)C1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y13912
CS(=O)(=O)C1=CC([C@@H]2CCCN2)=CC=C1.Cl	Y13913
Cl.N[C@@H](CO)C1=CC=CO1	Y13914
Cl.N[C@@H](CO)C1=CC=CO1	Y13915
Cl.N#CC[C@H](N)C1=C(Br)C=CC=C1	Y13916
Cl.N#CC[C@H](N)C1=C(Br)C=CC=C1	Y13917
Cl.N#CC[C@H](N)C1=CC=CC(Br)=C1	Y13918
Cl.N#CC[C@H](N)C1=CC=CC(Br)=C1	Y13919
Cl.N#CC[C@H](N)C1=CC=C(F)C=C1	Y13920
Cl.N#CC[C@H](N)C1=CC=C(F)C=C1	Y13921
Cl.N#CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13922
Cl.N#CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y13923
Cl.N#CC[C@H](N)C1=CC=CC(F)=C1	Y13924
Cl.N#CC[C@H](N)C1=CC=CC(F)=C1	Y13925
Cl.N#CC[C@H](N)C1=CC=C(Br)C=C1	Y13926
Cl.N#CC[C@H](N)C1=CC=C(Br)C=C1	Y13927
C[C@H](N)C1=CC=CC(F)=N1	Y13928
CN[C@@H](C)C1=CC=C(C)C=C1	Y13931
C[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y13932
C[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y13933
CC(=O)C1=CC([C@H](C)N)=CC=C1	Y13934
Cl.Cl.NC1=C(C[C@H](N)C(=O)O)C=CC=C1	Y13935
FC1=CC=C([C@@H]2COCCN2)C=C1	Y13936
COC1=CC(Br)=C2C(=O)CCC2=C1	Y13937
O=C1CCCC2=C(F)C=CC(F)=C12	Y13938
Cl.N[C@@H](CC1=CC(C(F)(F)F)=C(Cl)C=C1)C(=O)O	Y13939
Cl.N[C@@H](CC1=CC=CC2=C1OC(F)(F)O2)C(=O)O	Y13940
Cl.N[C@@H](CC1=CC2=C(C=C1)OC(F)(F)O2)C(=O)O	Y13941
Cl.Cl.N[C@@H](CC1=CC=CN=C1Cl)C(=O)O	Y13942
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC2=C1OC(F)(F)O2)C(=O)O	Y13943
CC1=C(F)C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1.Cl	Y13944
COC(=O)[C@@H](N)CC1=CC=CC2=C1OC(F)(F)O2.Cl	Y13945
COC(=O)[C@@H](N)CC1=C(F)C=C(O)C=C1.Cl	Y13947
CCOC(=O)C[C@@H](N)CC.Cl	Y13948
CS(=O)(=O)C1=CC=C([C@@H]2CCCCN2)C=C1.Cl	Y13949
COC1=CC2=C(C=C1)[C@@H](C)CC2=O	Y13962
C[C@H]1CC(=O)C2=CC=CC(Cl)=C21	Y13963
COC1=CC=CC2=C1[C@@H](C)CC2=O	Y13964
COC1=CC(O)=C([C@H](C)N)C=C1.Cl	Y13965
COC1=CC(OC)=C([C@@H](N)CO)C=C1.Cl	Y13966
C[C@H](N)C1=CC(F)=C(O)C=C1.Cl	Y13967
O[C@H]1CCC2=CC(Cl)=C(Cl)C=C21	Y13968
Cl.NC[C@H](N)C1=C(F)C=CC(Br)=C1	Y13969
CC(C)(C)OC(=O)N1CCC[C@H]1C1=CC=C(Br)C=C1	Y13970
COC(=O)[C@@H](N)CC1=C(F)C=C(O)C=C1.Cl	Y13971
COC(=O)[C@@H](N)CC1=C(F)C=C(O)C=C1.Cl	Y13972
COC(=O)[C@@H](N)CC1=CC=CS1.Cl	Y13973
CS(=O)(=O)C1=CC([C@@H](N)C2CC2)=CC=C1.Cl	Y13974
CS(=O)(=O)C1=CC([C@@H](N)C2CC2)=CC=C1.Cl	Y13975
C=C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13976
Cl.N[C@@H](CO)C1=C(CO)C=CC=C1	Y14078
Cl.N[C@@H](CO)C1=C(CO)C=CC=C1	Y14079
Cl.N[C@@H](CO)C1=CC=CC(CO)=C1	Y14080
Cl.N[C@@H](CO)C1=CC=CC(CO)=C1	Y14081
Cl.N#CC1=C(Cl)C=C([C@@H](N)CO)C=C1	Y14082
Cl.N#CC1=C(Cl)C=C([C@@H](N)CO)C=C1	Y14083
Cl.O=C(O)C1=CC([C@@H]2CCCN2)=C(F)C=C1	Y14087
Cl.O=C(O)C1=CC([C@@H]2CCCN2)=CC(F)=C1	Y14088
COC(=O)[C@@H](N)CC1=CC=CC2=C1OC(F)(F)O2.Cl	Y14089
C=C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y13977
CS(=O)(=O)C1=CC([C@@H]2CCCN2)=CC=C1.Cl	Y13978
Cl.N[C@H]1CCCC2=CC(C(F)(F)F)=C(Cl)C=C21	Y14002
Cl.N[C@H]1CCCC2=C1C=C(C(F)(F)F)C=C2	Y14005
O=C1CCOC2=C(F)C=CC(C(F)(F)F)=C12	Y14006
O=C1CCOC2=C1C(F)=C(F)C(F)=C2	Y14007
O=C(O)C1=CC2=C(Br)C=NC=C2S1	Y14011
Cl.N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O	Y14012
C[C@H](N)C1=CC(O)=NC=C1.Cl.Cl	Y14013
C[C@H](N)C1=CC(O)=NC=C1.Cl.Cl	Y14014
COC1=C(O)C=C([C@@H](N)CO)C=C1.Cl	Y14027
CC1=CC(C)=C([C@@](C)(N)CO)C=C1.Cl	Y14028
COC1=CC=C([C@@](C)(N)CO)C=C1.Cl	Y14029
N[C@@H](CO)C1=C(OC(F)(F)F)C=CC=C1	Y14030
COC(=O)[C@H](N)C1=CC=CC(Br)=C1.Cl	Y14031
COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1.Cl	Y14032
Cl.N[C@@H](CO)C1=CC2=C(C=C1)OC(F)(F)O2	Y14033
C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1.Cl	Y14035
Cl.N[C@H](CO)CC1CC1	Y14036
C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1.Cl	Y14037
C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1.Cl	Y14038
Cl.Cl.NC1=C([C@@H](N)C2CC2)C=C(F)C=C1	Y14039
Cl.Cl.NC1=C([C@@H](N)C2CC2)C=C(F)C=C1	Y14040
CC(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14041
CC(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14042
Cl.NCC1=C(Br)C=CC=C1Br	Y14043
Cl.N[C@@H](C(=O)O)C1=CC2=C(C=C1)OCCO2	Y14046
Cl.N[C@@H](CC1=CC2=C(C=C1)OCCO2)C(=O)O	Y14047
CC(C)(C)C1=CC2=C(C=C1)CCC[C@@H]2N.Cl	Y14048
CC(C)(C)C1=CC2=C(C=C1)CCC[C@@H]2N.Cl	Y14051
Cl.N[C@@H](C(=O)O)C1=C(F)C=CC(F)=C1F	Y14052
Cl.N[C@@H](C(=O)O)C1=C(F)C=CC(F)=C1F	Y14053
C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14054
C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14055
C[C@H](N)C1=CC=CC(CO)=C1.Cl	Y14056
CC[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2	Y14058
CCC[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2	Y14059
CC(C)[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14061
CC(C)[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14062
Cl.N[C@H](C1=CC2=C(C=C1)OC(F)(F)O2)C1CC1	Y14063
Cl.N[C@H](C1=CC2=C(C=C1)OC(F)(F)O2)C1CC1	Y14064
Cl.N[C@H](C1=C(CO)C=CC=C1)C1CC1	Y14065
Cl.N[C@H](C1=C(CO)C=CC=C1)C1CC1	Y14066
Cl.N[C@H](C1=C(F)C=CC(C(=O)O)=C1)C1CC1	Y14067
Cl.N[C@H](C1=C(F)C=CC(C(=O)O)=C1)C1CC1	Y14068
C=C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14069
C=C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14070
C=C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y14071
C=C[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y14072
COC1=C([C@@H](N)C(F)(F)F)C=CC(Br)=C1	Y14073
Cl.Cl.NC1=C([C@@H](N)CO)C=C(F)C=C1	Y14074
Cl.Cl.NC1=C([C@@H](N)CO)C=C(F)C=C1	Y14075
N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1	Y14076
N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1	Y14077
COC1=CC([C@@H](N)CC(=O)O)=CC(Cl)=C1.Cl	Y14177
Cl.N[C@@H](CC1=C(F)C=CC(O)=C1)C(=O)O	Y14179
COC1=C2C(=O)CCCC2=C(F)C=C1	Y14181
O=C1CCCC2=C1C=C(O)C(O)=C2	Y14183
O=C1CCCC2=CC=C(F)C(F)=C12	Y14185
O=C1CCCC2=C1C=C(Br)C=C2C(F)(F)F	Y14186
COC1=C(Cl)C=C2CCCC(=O)C2=C1	Y14187
Cl.N[C@H]1CCOC2=C(F)C(C(=O)O)=CC=C21	Y14190
Cl.N[C@H]1CCOC2=C(F)C(C(=O)O)=CC=C21	Y14191
CCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y14276
CCCC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y14277
N[C@H](C1=CC=C(C(F)F)C=C1)C1CC1	Y14278
FC(F)C1=CC=C([C@@H]2CCCN2)C=C1	Y14279
N[C@@H](CO)C1=CC=C(C(F)F)C=C1	Y14280
CC[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14281
COC(=O)[C@@H](N)CC1=CC=CC2=C1OC(F)(F)O2.Cl	Y14090
COC(=O)[C@@H](N)CC1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14092
COC(=O)[C@@H](N)CC1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14093
Cl.N[C@@H](C(=O)O)C1=C(Cl)C=CC(Cl)=C1	Y14094
Cl.N[C@@H](C(=O)O)C1=C(Cl)C=CC(Cl)=C1	Y14095
CCSC1=CC=C([C@@H](N)CO)C=C1	Y14097
Cl.N[C@@H](C(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14098
Cl.N[C@@H](C(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14099
COC(=O)C1=C2NCCCC2=CC=C1	Y14100
C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14110
CCOC1=CC(Cl)=C(N)C=C1	Y14111
Cl.N[C@@H](CO)C1=CC=CC2=CC=CC=C21	Y14114
COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y14115
Cl.N[C@@H](CC1=C(Cl)C=C(O)C=C1)C(=O)O	Y14207
Cl.N[C@@H](CC1=C(O)C=C(F)C=C1)C(=O)O	Y14208
Cl.N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O	Y14209
Cl.N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O	Y14210
Cl.Cl.N[C@@H](CC1=CC=CN=C1Cl)C(=O)O	Y14211
Cl.N[C@@H](CC(=O)O)C1=CC=CC2=C1OC(F)(F)O2	Y14212
C=CC[C@H](N)C1=C(F)C=C(Br)C=C1F	Y14213
Cl.N[C@@H](CC(=O)O)C1=C(F)C=C(Br)C=C1F	Y14214
CC(C)(C)OC1=CC=C([C@@H](N)C(=O)O)C=C1.Cl	Y14215
CC[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2	Y14216
Cl.N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OC(F)(F)O2	Y14217
CCOC(=O)C1=CC([C@@H](N)CO)=CC=C1.Cl	Y14218
C=CC[C@H](N)C1=CC=C(N(C)C)C=C1.Cl.Cl	Y14219
CC(C)(C)[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14474
CC(C)(C)[C@H](N)C1=CC=C(C(F)F)C=C1	Y14475
ClCC1=CC(OC2CC2)=CC=C1	Y14117
C[C@H](N)C1=C(C#N)C=CC=C1.Cl	Y14118
O=C1CCCCC2=C(Br)C=CC(F)=C12	Y14119
COC(=O)C[C@H](N)C1=CC=C(SC)C=C1.Cl	Y14120
C[C@H](N)C1=C(OC(F)(F)F)C=CC=C1	Y14121
CC1=CC=CC([C@@H](N)C2CC2)=N1.Cl.Cl	Y14123
O=C1CCCC2=CC(F)=C(O)C=C12	Y14125
C[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y14128
C[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y14129
Cl.N[C@@H](CO)C1=C2CCCC2=CC=C1	Y14130
Cl.N[C@@H](CO)C1=C2CCCC2=CC=C1	Y14131
N[C@@H](CO)C1=CC2=C(C=C1)CCO2	Y14132
Cl.N[C@@H](C(=O)O)C1=CC=C(OCCO)C=C1	Y14134
Cl.N[C@@H](C(=O)O)C1=CC=C(OCCO)C=C1	Y14135
CCCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14136
CCCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14137
Cl.N[C@H]1CCCC2=C(OC(F)(F)F)C=CC=C21	Y14146
Cl.N[C@H]1CCCC2=C(OC(F)(F)F)C=CC=C21	Y14147
COC1=NC(C)=C(CN)C=C1	Y14150
CN1CCC[C@H]1C1=CC(Br)=CN=C1	Y14151
Cl.NCC1=C([N+](=O)[O-])C=CC(Br)=C1	Y14152
COC(=O)[C@@H](N)CC1=CN=CC=C1.Cl.Cl	Y14153
CCOC1=CC=C([C@H](C)NC)C=C1.Cl	Y14156
Cl.N[C@@H](C(=O)O)C1=CC=C(N2CCCCC2)C=C1	Y14158
Cl.N[C@@H](CC(=O)O)C1=CC=C(N2CCCCC2)C=C1	Y14159
Cl.N[C@@H](CC(=O)O)C1=CC=C(N2CCCCC2)C=C1	Y14164
CC[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14165
CC(C)[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl.Cl	Y14166
CCC[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14167
CCCC[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14168
C=C[C@H](N)C1=C(F)C=C(Br)C=C1F	Y14268
C=CC[C@H](N)C1=C(F)C=C(Br)C=C1F	Y14269
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCN1	Y14270
FC1=CC(Br)=CC(F)=C1[C@@H]1CCCCN1	Y14271
Cl.N[C@H](C1=C(C(=O)O)C=CC=C1)C1CC1	Y14272
C[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y14273
CC[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y14274
Cl.Cl.N[C@@H](CO)C1=CC=C(N2CCCCC2)C=C1	Y14172
Cl.N[C@@H](C(=O)O)C1=CC=C(N2CCCCC2)C=C1	Y14173
Cl.N[C@@H](CC(=O)O)C1=CC=C(N2CCCCC2)C=C1	Y14174
Cl.N[C@H]1CCC2=CC(F)=C(F)C=C2C1	Y14192
Cl.N[C@H]1CCOC2=C1C=CC(C(=O)O)=C2	Y14193
COC(=O)C1=CC2=C(C=C1)[C@@H](N)CCO2.Cl	Y14194
Cl.N[C@H]1CCOC2=C(C(=O)O)C=CC=C21	Y14195
Cl.N[C@H]1CCOC2=C1C=C(C(=O)O)C=C2	Y14196
Cl.N[C@H]1CCOC2=C(F)C(C(=O)O)=CC=C21	Y14197
C[C@H](N)C1=C(F)C=NC=C1F.Cl.Cl	Y14198
Cl.N#CC[C@H](N)C1CC1	Y14203
CC(C)[C@@H](N)CC#N.Cl	Y14204
C=CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y14221
Cl.N[C@@H](CC(=O)O)C1=C(F)C=CC(F)=C1F	Y14222
Cl.N[C@@H](CC(=O)O)C1=CC=C(OC2=CC=CC=C2)C=C1	Y14223
C=CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14224
Cl.N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O	Y14230
Cl.N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O	Y14231
Cl.N[C@@H](CC(=O)O)C1=CC=CC2=C1OC(F)(F)O2	Y14232
C=CC[C@H](N)C1=C(F)C=C(Br)C=C1F	Y14233
Cl.N[C@@H](CC(=O)O)C1=C(F)C=C(Br)C=C1F	Y14234
CC(C)(C)OC1=CC=C([C@@H](N)C(=O)O)C=C1.Cl	Y14235
Cl.N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OC(F)(F)O2	Y14236
CCOC(=O)C1=CC([C@@H](N)CO)=CC=C1.Cl	Y14237
C=CC[C@H](N)C1=CC=C(N(C)C)C=C1.Cl.Cl	Y14238
C=CC[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y14239
C=CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y14240
Cl.N[C@@H](CC(=O)O)C1=C(F)C=CC(F)=C1F	Y14241
C=CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14242
Cl.N[C@@H](CC1=CC(O)=C(F)C=C1)C(=O)O	Y14248
Cl.N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O	Y14250
Cl.Cl.N[C@@H](CC1=CC2=CC=CC=C2N=C1)C(=O)O	Y14251
Cl.Cl.N[C@@H](CC1=C(F)C=CC=N1)C(=O)O	Y14252
CCC[C@H](N)C1=C2OCOC2=CC=C1.Cl	Y14256
CC1=CC(C)=C([C@@H](N)CC#N)C=C1.Cl	Y14257
C=C[C@H](N)C1=CC=CC2=C1OC(F)(F)O2.Cl	Y14260
CS(=O)(=O)C1=CC=C([C@@H](N)C2CC2)C=C1.Cl	Y14264
CC(C)[C@H](N)C1=CC=C(C(F)F)C=C1.Cl	Y14275
C=C[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14282
Cl.N[C@@H](CO)C1=CC2=C(C=C1)OC(F)(F)O2	Y14283
CS(=O)(=O)C1=CC([C@@H](N)C(F)(F)F)=CC=C1.Cl	Y14284
CS(=O)(=O)C1=CC([C@@H]2CCCCN2)=CC=C1.Cl	Y14285
Cl.N#CC1=C(Cl)C=C([C@@H](N)CO)C=C1	Y14286
COC(=O)C1=C2OCC[C@H](N)C2=CC(Cl)=C1.Cl	Y14467
COC(=O)C1=CC(Cl)=C2OCC[C@H](N)C2=C1.Cl	Y14469
C[C@H]1CC(=O)C2=C1C=C(Br)C=C2	Y14557
O=C1OCC2=C1C(F)=C(Br)C=C2	Y14558
C=CC[C@H](N)C1=CC=C(N(C)C)C=C1.Cl.Cl	Y14288
CC(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14289
CCCC[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14290
Cl.N[C@@H](C(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14375
CC1=CC2=C(C=C1C)[C@@H](N)CCC2.Cl	Y14376
Cl.N[C@H]1CCCC2=C(C(F)(F)F)C=CC=C21	Y14378
COC1=C2C(=CC=C1)CCC[C@@H]2N	Y14380
COC(=O)C1=C2CCC[C@H](N)C2=CC=C1.Cl	Y14382
Cl.N[C@H]1CCCC2=C1C=CC(C(F)(F)F)=C2	Y14384
N[C@H]1CCCC2=C1C=C(OC(F)F)C=C2	Y14385
CC(C)(C)[C@H](N)C1=C(F)C=CC(F)=C1F	Y14476
Cl.Cl.NC1=C([C@@H](N)C2CC2)C=C(F)C=C1	Y14291
Cl.Cl.NC1=C([C@@H](N)CO)C=C(F)C=C1	Y14292
Cl.N[C@H](C1=C(F)C=CC(C(=O)O)=C1)C1CC1	Y14293
Cl.O=C(O)C1=CC([C@@H]2CCCN2)=C(F)C=C1	Y14295
Cl.N[C@H]1CCOC2=C1C(F)=C(F)C(F)=C2	Y14409
Cl.N[C@H]1CCOC2=C(F)C=C(C(=O)O)C=C21	Y14410
Cl.N[C@H]1CCOC2=C(F)C=CC(C(F)(F)F)=C21	Y14411
CC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14412
FC1=C2CCCCC2=CC=C1	Y14505
ClC1=CC2=C(C=C1)CCOC2	Y14506
O=C1CCC2=CC(F)=CC(Br)=C2N1	Y14507
COC(=O)[C@H](N)C1=C(Cl)C=CC(Cl)=C1.Cl	Y14508
COC(=O)[C@H](N)C1=C(Cl)C=CC(Br)=C1.Cl	Y14509
COC(=O)[C@H](N)C1=C(F)C=CC(F)=C1F.Cl	Y14510
COC(=O)[C@H](N)C1=C(Cl)C=CC(Cl)=C1.Cl	Y14512
COC(=O)[C@H](N)C1=C(Cl)C=CC(Br)=C1.Cl	Y14513
COC(=O)[C@H](N)C1=C(F)C=CC(F)=C1F.Cl	Y14514
CCCC[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y14296
Cl.N[C@H](C1=C(O)C=CC(F)=C1)C1CC1	Y14297
C=C[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y14298
C=CC[C@H](N)C1=C(O)C=CC(F)=C1.Cl	Y14299
Cl.N[C@@H](CO)C1=C(O)C=CC(F)=C1	Y14300
CC1=C(Br)C=CC([C@@H](N)CC#N)=C1.Cl	Y14301
Cl.N[C@@H](CO)C1=CC=CC(CO)=C1	Y14302
Cl.N[C@H](C1=C(CO)C=CC=C1)C1CC1	Y14303
Cl.N[C@@H](CO)C1=C(CO)C=CC=C1	Y14304
N[C@H](C1=C(F)C=CC(F)=C1F)C1CC1	Y14310
C=C[C@H](N)C1=C(F)C=CC(F)=C1F	Y14311
C=CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y14312
Cl.N#CC[C@H](N)C1=C(F)C=CC(F)=C1F	Y14315
NC1=C([C@@H]2CCCN2)C=CC(Cl)=C1	Y14316
COC1=C(O)C=C([C@H](C)N)C=C1.Cl	Y14318
CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14319
COC1=C(O)C=C([C@@H](N)C(C)C)C=C1.Cl	Y14320
CCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14321
CCCC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14322
C=C[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14323
C=CC[C@H](N)C1=CC(O)=C(OC)C=C1.Cl	Y14324
Cl.N[C@H]1CCCC2=C(C(=O)O)C=CC=C21	Y14325
C=C[C@@H](N)CO.Cl	Y14326
CCC1=CC2=C(C=C1)CCCN2	Y14327
CC(C)C1=CC2=C(C=C1)CCCN2	Y14328
CCC1=CC2=C(C=C1)CCCC(=O)N2	Y14329
CC(C)(C)C1=CC2=C(C=C1)CCCN2	Y14330
O=C1CCCC2=C(C=C(Cl)C=C2)N1	Y14331
CC(C)C1=CC2=C(C=C1)CCCC(=O)N2	Y14332
CC(C)(C)C1=CC2=C(C=C1)CCCC(=O)N2	Y14333
COC(=O)[C@@H](N)CC1=CC=C(C2=CC=CC=C2)C=C1.Cl	Y14334
COC(=O)[C@@H](N)CC1=CC(O)=C(OC)C=C1.Cl	Y14335
CC(C)(C)C1=C2NCCCC2=CC=C1	Y14336
C[C@H](N)CC1=CC=C(Br)C=C1	Y14339
Cl.N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O	Y14340
CCOC(=O)C1=CC2=C(C=C1)CCC[C@@H]2N.Cl	Y14351
CCOC(=O)C1=CC2=C(C=C1)CCC[C@@H]2N.Cl	Y14352
Cl.N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O	Y14371
COC1=C2CCCC(=O)C2=CC(Br)=C1	Y14373
COC1=C(Br)C=C2CCCC(=O)C2=C1	Y14374
Cl.N[C@H]1CCCC2=C(OC(F)(F)F)C=CC=C21	Y14394
CCOC(=O)C1=CC2=C(C=C1)CCC[C@@H]2N.Cl	Y14399
Cl.N[C@H]1CCOC2=C(C(F)(F)F)C=CC(C(F)(F)F)=C21	Y14414
Cl.N[C@H]1CCOC2=C(C(=O)O)C=C(Cl)C=C21	Y14418
Cl.N[C@H]1CCOC2=C(Cl)C=C(C(=O)O)C=C21	Y14419
CCC1=CC=CC(C(C)(C)O)=C1	Y14421
N[C@H](CO)CC1=CC=C(Cl)C=C1	Y14423
CC1=CC=C(C)C2=C1OCC[C@@H]2O	Y14424
COC(=O)C[C@H](N)C1=CC2=NC=CC=C2C=C1.Cl.Cl	Y14425
COC(=O)C[C@H](N)C1=CC2=NC=CC=C2C=C1.Cl.Cl	Y14426
CC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14427
CC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14428
Cl.N[C@H]1CCOC2=C(C(=O)O)C=C(Cl)C=C21	Y14429
Cl.N[C@H]1CCOC2=C(C(=O)O)C=C(Cl)C=C21	Y14430
Cl.N[C@H]1CCOC2=C(Cl)C=C(C(=O)O)C=C21	Y14431
Cl.N[C@H]1CCOC2=C(Cl)C=C(C(=O)O)C=C21	Y14432
CC(C)(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14437
CC(C)(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14438
O=C1CCOC2=C(C(F)(F)F)C=CC(C(F)(F)F)=C12	Y14439
COC(=O)C1=CC(Br)=CC2=C1CCCC2=O	Y14440
CC1=CC(C)=C(C[C@H](N)CO)C=C1	Y14441
Cl.N[C@@H](CC(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14442
Cl.N[C@@H](CC(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14443
COC(=O)C1=C(C)C=C2OCC[C@H](N)C2=C1.Cl	Y14445
CC(C)(C)[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14449
CC(C)(C)[C@H](N)C1=CC=C(C(F)F)C=C1	Y14450
CC(C)(C)[C@H](N)C1=C(F)C=CC(F)=C1F	Y14451
CC(C)(C)[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14452
CC(C)(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14453
CC(C)(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y14454
CCOC(=O)C1=CC=C([C@@H](N)CO)C=C1.Cl	Y14455
COC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14462
COC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14463
COC(=O)C1=C(OC)C=C2OCC[C@H](N)C2=C1.Cl	Y14465
CC(C)(C)[C@H](N)C1=CC=C(Br)C=C1	Y14473
CC(C)(C)[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14477
CC(C)(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14478
CC(C)(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y14479
CCOC(=O)C1=CC=C([C@@H](N)CO)C=C1.Cl	Y14480
C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1.Cl	Y14484
Cl.N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O	Y14485
CC(C)(C)[C@@H](N)CC#N.Cl	Y14486
Cl.N#CC[C@H](N)CO	Y14487
CC(C)(C)[C@H](N)C1=CC=C(N2CCCCC2)C=C1.Cl	Y14488
CC(C)(C)[C@H](N)C1=CC=C(C(F)F)C=C1	Y14489
CC(C)(C)[C@H](N)C1=CC2=C(C=C1)OC(F)(F)O2.Cl	Y14491
Cl.N[C@@H](CC(=O)O)C1=CC(F)=C(C(F)F)C=C1	Y14492
CC(C)(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14493
CC(C)(C)[C@H](N)C1=C(N)C=CC(F)=C1.Cl.Cl	Y14494
CC(C)(C)[C@H](N)C1=C(F)C=CC(C(=O)O)=C1.Cl	Y14495
COC1=C(C(=O)O)C=C2C(=C1)OCC[C@@H]2N.Cl	Y14500
C[C@H](NC(=O)OC(C)(C)C)C1=NC=C(Br)C=C1F	Y14519
CC1=C([C@@H](N)CC#N)C=CC(F)=C1.Cl	Y14520
CC1=C(Br)C=CC([C@@H](N)CC#N)=C1.Cl	Y14521
CC1=C([C@@H](N)CC#N)C=CC(F)=C1.Cl	Y14525
Cl.N[C@H]1CCOC2=C(F)C=CC(F)=C21	Y14526
C[C@H](NC(=O)OC(C)(C)C)C1=CC(CO)=CC=C1	Y14527
CC[C@H](N)C1=C(O)C=C(OC)C=C1.Cl	Y14528
C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14529
CCSC1=CC=C([C@@H](N)CO)C=C1	Y14530
Cl.N[C@@H](CO)C1=C2CCCC2=CC=C1	Y14531
Cl.N[C@@H](CO)C1=CC(F)=C(C(F)F)C=C1	Y14533
CC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14534
C=C[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14535
CCC[C@H](N)CC#N.Cl	Y14537
C=CC1=CC=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C=C1	Y14538
CC(C)(C)OC(=O)N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	Y14539
COC(=O)[C@H](CC1=CC(N)=CC=C1)NC(=O)OC(C)(C)C	Y14540
CC(C)[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14541
C=CC1=CC=C(C[C@H](N)C(=O)OC)C=C1.Cl	Y14542
FC1=C(C(F)F)C=CC([C@@H]2CCCN2)=C1	Y14544
CCC[C@H](N)C1=CC(F)=C(C(F)F)C=C1.Cl	Y14545
Cl.N[C@H](C1=CC(F)=C(C(F)F)C=C1)C1CC1	Y14546
O[C@H]1CCC2=CC=CC(F)=C21	Y14547
COC(=O)[C@H](N)C1=C(Cl)C=CC(Cl)=C1.Cl	Y14548
COC(=O)[C@H](N)C1=C(F)C=CC(F)=C1F.Cl	Y14550
FC(F)(F)OC1=CC2=C(C=C1)OCCC2	Y14554
C[C@H](N)C1=NC=C(Cl)C=C1.Cl.Cl	Y14559
C[C@H]1CC(=O)C2=C1C=C(Cl)C=C2	Y14560
CC(C)(C)OC(=O)N1CCC[C@H]1C1=C(F)C=CC(F)=C1	Y14561
COC(=O)C1=C([C@H](C)N)C=C(F)C=C1.Cl	Y14562
CC(C)(C)OC(=O)N(CCCCO)CCCCO	Y14563
CC(C)(C)OC(=O)N[C@H](CO)CC1=CC=CC(F)=C1	Y14565
Cl.N[C@@H](CO)C1CCC1	Y14566
CC1=CC2=C(C=C1)[C@@H](N)CCO2.Cl	Y14569
Cl.N[C@@H](CO)C1CCCCC1	Y14570
CC1(C)CC2=CC=CC(N)=C2C1	Y14574
C[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14575
CC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14576
O[C@H]1CCC2=C1C=CC(OC(F)(F)F)=C2	Y14652
CC(C)(C)C1=CC=CC(CN)=C1.Cl	Y14653
CN1CCC2=C(C=CC([N+](=O)[O-])=C2)C1	Y14654
CCOC(=O)C1=C(C)N=C2SC(C)=CN21	Y14657
CC(C)[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14577
CCC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14578
COC(=O)C1=CN=C(S(N)(=O)=O)C=C1	Y14691
CC(C)(O)C1=CC=C(C(C)(C)O)C=C1	Y14692
COC1=CC(Cl)=NC2=NC=CC=C12	Y14694
C[C@H](N)C1=CC=CC(N)=C1.Cl.Cl	Y14695
COC1=C2NCCC2=CC=C1	Y14696
CC(=O)OCCCO	Y14698
N[C@H](C1=C(F)C=C(C(F)F)C=C1)C1CC1	Y14579
N[C@@H](CO)C1=C(F)C=C(C(F)F)C=C1	Y14580
CC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14582
CC(C)[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14583
CCC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14584
N[C@@H](CO)C1=C(F)C=C(C(F)F)C=C1	Y14586
C[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14588
CC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14589
CC(C)[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14590
CCC[C@H](N)C1=C(F)C=C(C(F)F)C=C1	Y14591
N[C@H](C1=C(F)C=C(C(F)F)C=C1)C1CC1	Y14592
FC1=C([C@@H]2CCCN2)C=CC(C(F)F)=C1	Y14593
N[C@@H](CO)C1=C(F)C=C(C(F)F)C=C1	Y14594
Cl.N[C@H]1CCCC2=C1C=C(O)C=C2	Y14596
Cl.N[C@H]1CCC2=C1C=CC(C(F)(F)F)=C2	Y14598
COC[C@H](N)C1=CC=C(F)C=C1.Cl	Y14599
Cl.Cl.FC1=CN=CC([C@@H]2CCCN2)=C1	Y14601
CC[C@H](O)C1=CC(OC)=C(OC)C=C1	Y14602
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=CC=C(C#N)C=C1	Y14603
CCC1=CC(OC)=C(C=O)C=C1OC	Y14704
COC(=O)C1=CC=C(C(C)(C)O)C=C1	Y14706
COC1=C(Cl)C=C([C@H](C)N)C=C1	Y14818
Cl.Cl.FC1=CC(F)=C([C@@H]2CCCN2)N=C1	Y14819
CC1=NOC=C1CN.Cl.Cl	Y14820
COC1=CC([C@@H](N)CO)=CC(F)=C1.Cl	Y14842
COC1=C(F)C=CC([C@@H](N)CO)=C1.Cl	Y14843
CCOC(=O)CCCOC1=C([N+](=O)[O-])C=CC=C1	Y14604
O=C(O)C1=CC(Cl)=C(C(=O)O)C(Cl)=C1	Y14609
CCC(C)(C)CC=O	Y14611
C[C@H](N)C1=CC(F)=CC(O)=C1.Cl	Y14614
CCOC(=O)CN1N=C(C)N=C1C	Y14616
Cl.N[C@@H](CO)C1=CC(F)=C(F)C=C1	Y14617
Cl.N[C@@H](CC1=C(F)C=CC(I)=C1)C(=O)O	Y14618
CC1=C(I)C=CC=C1C[C@H](N)C(=O)O.Cl	Y14619
C=CC[C@H](N)C1=CC(F)=CN=C1Cl	Y14620
CSCCCCl	Y14621
Cl.N[C@H](C1=CC=CC(C(=O)C2=CC=C(Br)C=C2)=C1)C(F)(F)F	Y14622
CC(C)[C@H](N)C1=CC=C(C(=O)C2=CC=C(Br)C=C2)C=C1.Cl	Y14623
CC(C)[C@H](N)C1=CC=CC(C(=O)C2=CC=C(Br)C=C2)=C1.Cl	Y14624
CC(C)[C@H](N)C1=CC=CC(C(=O)C2=CC=C(Br)C=C2)=C1.Cl	Y14625
C[C@H](N)C1=CC=CC(C(=O)C2=CC=CC(C(F)(F)F)=C2)=C1.Cl	Y14626
Cl.O=C(C1=CC=C(Br)C=C1)C1=CC=C([C@@H]2CCCN2)C=C1	Y14627
Cl.O=C(C1=CC=C(Br)C=C1)C1=CC([C@@H]2CCCN2)=CC=C1	Y14628
CC(C)[C@H](N)C1=CC=C(C(=O)C2=CC=C(Br)C=C2)C=C1.Cl	Y14629
C[C@H](N)C1=C(C(=O)C2=CC=CC(F)=C2)C=CC=C1.Cl	Y14630
CC[C@H](N)C1=CC=CC(C(=O)C2=CC=CC(C(F)(F)F)=C2)=C1.Cl	Y14631
CC[C@H](N)C1=CC=CC(C(=O)C2=C(C)C=CC=C2)=C1.Cl	Y14632
C[C@H](N)C1=C(C(=O)C2=CC=C(Br)C=C2)C=CC=C1.Cl	Y14634
CC1=C(C(=O)C2=CC([C@H](C)N)=CC=C2)C=CC=C1.Cl	Y14635
Cl.O=C(C1=CC=C(Br)C=C1)C1=CC=C([C@@H]2CCCN2)C=C1	Y14636
CC[C@H](N)C1=CC=CC(C(=O)C2=C(C)C=CC=C2)=C1.Cl	Y14637
C[C@H](N)C1=CC=CC(C(=O)C2=CC=CC(C(F)(F)F)=C2)=C1.Cl	Y14638
CC1=C(C(=O)C2=CC([C@H](C)N)=CC=C2)C=CC=C1.Cl	Y14639
CC[C@H](N)C1=CC=CC(C(=O)C2=CC=CC(C(F)(F)F)=C2)=C1.Cl	Y14641
C[C@H](N)C1=C(C(=O)C2=CC=CC(F)=C2)C=CC=C1.Cl	Y14642
COC1=CC=C(C(=O)C2=C([C@H](C)N)C=CC=C2)C=C1.Cl	Y14643
COC1=CC=C(C(=O)C2=C([C@H](C)N)C=CC=C2)C=C1.Cl	Y14644
CCS(=O)(=O)CC#N	Y14645
COC(=O)[C@@H](N)CC1=CC=C(OC(F)F)C=C1.Cl	Y14646
CC1(C)CC(=O)C2=C(F)C=CC=C21	Y14648
CC1=C([N+](=O)[O-])C=CC(C[C@H](N)C(=O)O)=C1.Cl	Y14649
CC1=C(C[C@H](N)C(=O)O)C=C(I)C=C1.Cl	Y14650
COC(=O)[C@@H](N)CC1=CC(OC)=CC=C1.Cl	Y14651
CNC1=C([N+](=O)[O-])C=C(C(=O)OC)C=C1OC	Y14659
CC1(C)OB(C2=C3OCOC3=C(F)C=C2)OC1(C)C	Y14663
O=CC1=C([N+](=O)[O-])C=CC=C1O	Y14664
Cl.NC1=CC=CC2=C1CCC2(F)F	Y14668
Cl.NCC1=CC=CC(C(=O)C2=CC=C(Br)C=C2)=C1	Y14669
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=CC=C1	Y14671
CCC(=O)C1=CC(OC)=C(OC)C=C1	Y14672
OC1=C(F)C=CC(Br)=C1O	Y14674
CC(C)(C)OC(=O)N[C@@H](CO)C1=C(F)C=CC(Br)=C1	Y14675
BrC1=CC(Br)=C2NCCCC2=C1	Y14676
CC1(C)CC(=O)C2=C(Cl)C=CC=C21	Y14678
Cl.N[C@@H](CC1=CC=C(CC(=O)O)C=C1)C(=O)O	Y14684
N#CC1=CC=C2N=CC=C(O)C2=C1	Y14685
COC(=O)C1=NC=C(C)N1	Y14700
COC1=CC(C(C)C)=C(OC)C=C1	Y14701
COC1=C2C(=O)NC(=O)C2=CC=C1	Y14702
Cl.N[C@@H](C1=CC=CC=C1)C1=CC=C(Br)C=C1	Y14844
CCCC1=CC(OC)=C(C=O)C=C1OC	Y14709
N#CC1=C(O)C=CC=C1O	Y14713
C[C@](N)(C(=O)O)C1=CC=C(OC2=CC=CC=C2)C=C1.Cl	Y14742
Cl.O=C(C1=CC=C(Br)C=C1)C1=CC([C@@H]2CCCN2)=CC=C1	Y14743
C[C@H](N)C1=C(C(=O)C2=CC=C(Br)C=C2)C=CC=C1.Cl	Y14744
COC(=O)C1=CC=C([C@@H]2CCCN2)C=C1.Cl	Y14746
C[C@H](N)C1=CN=C(Br)C=C1.Cl.Cl	Y14749
O=CC1=CC=C2CCCN12	Y14714
CC1(C)CC(=O)C2=C(Br)C=CC=C21	Y14720
CCOC(=O)N1CCC[C@H]1C1=CN=CC=C1	Y14722
O=C1C=CCCN1C(=O)OCC1=CC=CC=C1	Y14723
COC1=CC(C(C)(C)O)=C(OC)C=C1	Y14724
C=C(C)C1=C(OC)C=CC(OC)=C1	Y14725
Cl.NC1=CC=C(C2=CNC=N2)C=C1	Y14726
COC(=O)C1=CC=CC(S(N)(=O)=O)=N1	Y14727
BrC1=CC2=C(C=C1)C1=C(CCCC1)N2	Y14728
CN(C)C1=CC2=C(C=C1)C=C(C(=O)O)O2	Y14729
O=C(O)C1=C(F)C=CN=C1F	Y14730
N#CC1=CC=CC(C=O)=C1O	Y14731
OCC(F)(F)CN(CC1=CC=CC=C1)CC1=CC=CC=C1	Y14734
COC1=C(CBr)C=CC([N+](=O)[O-])=C1	Y14735
NC1=CC2=C(C=C1)NC1=C(N)C=CC=C21	Y14736
Cl.NNC1=CC=CN=C1Cl	Y14739
C[C@H](NC(=O)CC#N)C1=CC=CC=C1	Y14740
COC1=CC=C(C(C)(C)[C@H](C)O)C=C1	Y14750
COC1=CC=C(COC2=C([C@H](C)N)C=C(F)C=C2)C=C1	Y14751
C[C@H](NC(=O)OC(C)(C)C)C1=CC(N)=CC=C1	Y14752
Cl.N#CC1=CC=C([C@@H]2CCCN2)C=C1	Y14754
CC(C)(C)OC(=O)N[C@@H](CC1=CC(C(F)(F)F)=C(F)C=C1)C(=O)O	Y14755
Cl.Cl.N[C@H](C1=CC(Cl)=CN=C1)C1CC1	Y14757
CC1=C(Br)C=C2C(=O)NCCC2=C1	Y14758
Cl.NN1CCC[C@H](O)C1	Y14768
C[C@H](N)C1=CC=CO1.Cl	Y14798
C1=CC([C@@H]2COCCN2)=CO1.Cl	Y14799
Cl.N[C@@H](C(=O)O)C1=CC=C(C2=CC=CC=C2)C=C1	Y14800
COC(=O)CC1=CC(=O)NC=N1.Cl	Y14774
COC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1.Cl	Y14777
Cl.N[C@H]1CCOC2=C1C=C(OC(F)(F)F)C=C2	Y14778
Cl.N[C@H]1CCCC2=CC(C(F)(F)F)=C(Cl)C=C21	Y14779
CC1=CC(Cl)=CC2=C1CCC[C@@H]2N.Cl	Y14780
C1CN[C@H](C2CC2)C1.Cl	Y14781
C1CN[C@H](C2CC2)C1.Cl	Y14782
CN[C@@H](C)C1=C(F)C=C(F)C=C1.Cl	Y14784
CN[C@@H](C)C1=C(F)C=C(F)C=C1.Cl	Y14785
Cl.N[C@H]1CCC2=C1C=CC(C(=O)O)=C2	Y14787
COC1=CC2=C(C=C1)[C@@H](N)CC2.Cl	Y14788
COC1=CC2=C(C=C1)[C@@H](N)CC2.Cl	Y14789
COC1=NC=C([C@@H](N)CC(=O)O)C=C1.Cl.Cl	Y14790
BrC1=NC=C([C@@H]2CCCN2)C=C1.Cl.Cl	Y14792
BrC1=NC=C([C@@H]2CCCN2)C=C1.Cl.Cl	Y14793
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21	W18796
Cl.N[C@@H](CC1=CC=CC(C(F)(F)F)=C1)C(=O)O	Y14794
CN[C@@H](C)C1=CC=CC(C#N)=C1.Cl	Y14796
Cl.N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1	Y14797
Cl.N[C@@H](CC1=C(F)C=CC(I)=C1)C(=O)O	Y14802
Cl.N[C@@H](CC1=CC(I)=CC(C(F)(F)F)=C1)C(=O)O	Y14803
Cl.N[C@@H](CC1=CC(I)=CC(C(F)(F)F)=C1)C(=O)O	Y14804
CC1=C(C[C@H](N)C(=O)O)C=C(I)C=C1.Cl	Y14805
CC1=CC(I)=CC(C[C@H](N)C(=O)O)=C1.Cl	Y14806
CC1=CC(I)=CC(C[C@H](N)C(=O)O)=C1.Cl	Y14807
CC1=C(I)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y14808
CC1=C(I)C=C(C[C@H](N)C(=O)O)C=C1.Cl	Y14809
CC1=C(I)C=CC=C1C[C@H](N)C(=O)O.Cl	Y14810
C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1.Cl	Y14812
Cl.N[C@H]1COC2=CC=CC(Br)=C21	Y14814
Cl.N[C@H]1COC2=C1C=C(F)C=C2	Y14815
Cl.N[C@H]1COC2=C1C=CC(F)=C2	Y14817
FC1(F)C2=C(C=CC(Br)=C2)C2=C(C=C(Br)C=C2)C1(F)F	Y14821
CN1C=CC2=C(C[C@H](N)C(=O)O)C=CC=C21.Cl	Y14824
CC(C)[C@H](N)C1=CSC=N1.Cl.Cl	Y14825
CC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1.Cl	Y14826
Cl.Cl.N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O	Y14827
COC(=O)C[C@H](N)C1=CC=C(CCC(=O)O)C=C1.Cl	Y14828
CC(C)C1=NC=C(N)C=C1.Cl.Cl	Y14829
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(F)C(Cl)=C1F)C(=O)O	Y14830
C[C@H](N)C1=C(OCC(F)F)C=CC(F)=C1.Cl	Y14836
COCCOCOC1=C([C@H](C)N)C=C(F)C=C1	Y14839
C[C@H](N)C1=CC=CS1.Cl	Y14840
C1=CN=C([C@@H]2CCCCN2)C=C1.Cl.Cl	Y14841
CC(C)(C)[C@H](N)C1=CC=C(Br)C=C1.Cl	Y14850
Cl.N[C@H](C1=C2C=CC=CC2=CC2=CC=CC=C21)C(F)(F)F	Y14851
CC(C)(C)OC(=O)N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O	Y14852
Cl.FC1=CC([C@@H]2CCCCN2)=CC(Cl)=C1	Y14853
Cl.N[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)O	Y14854
Cl.Cl.N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O	Y14855
C1=CC2=C(C=C1[C@@H]1CCCCN1)OCCO2.Cl	Y14858
Cl.ClC1=CC(Cl)=C([C@@H]2CCCN2)C=C1	Y14859
Cl.ClC1=CC([C@@H]2CCCN2)=C(Cl)C=C1	Y14860
O=C1CCC2=CC(C(F)(F)F)=C(Br)C=C12	Y14863
COC(=O)[C@@H](N)CC1=CC(F)=C(O)C=C1.Cl	Y14864
COC(=O)C1=CN=C([C@H](C)N)C=C1.Cl.Cl	Y14865
COC(=O)C[C@H](N)C1=CC=C(N(C)C)C=C1.Cl	Y14866
C[C@H](NC(=O)OC(C)(C)C)C1=C([N+](=O)[O-])C=CC=C1	Y14867
C[C@H](NC(=O)OC(C)(C)C)C1=C([N+](=O)[O-])C=CC=C1	Y14868
CC1CC(O)C1	P19103
Cl.NC1(C2CC2)CCC1	P19104
C#C[C@H]1CC[C@H](N)CC1.Cl	P19105
COC1=C(Br)N=C(I)C=C1I	Y14875
CCOC(=O)C1=CC=C(N2NC(=O)CC2=O)C=C1	Y14876
C1=CC=C(C2C=COC2C2=CC=CC=C2)C=C1	Y14880
O=C(O)CC1=CC=CC([N+](=O)[O-])=C1O	Y14883
C[C@@H]1NCCCNC1=O	Y14885
CCOC(=O)C1CCC/C1=N\N=C1/CCCC1C(=O)OCC	Y14888
CC(C)(C)OC(=O)NN1CCC[C@H](O)C1	Y14889
CNC(=O)C1=CC(Br)=C(Cl)C(OC)=C1	Y14890
COC(=O)C1=CC=CN=C1S(N)(=O)=O	Y14892
COC(=O)C[C@H](N)C1=CC2=C(C=C1)OCO2.Cl	Y14895
CCOC(=O)[C@]1(C)C[C@H](N)C1.Cl	P19098
CC(C)(C)OC(=O)N1CCC2=C(CBr)C=CC=C2C1	P19099
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](O)C1	P19100
C#CC1CCC1	P19139
O=C(CCl)C1CCC1	P19145
COC1=CC=C(C(=O)C(=O)C2=CC=CC=C2)C=C1	W18698
O=C(NCC1=CC=CO1)C(=O)NCC1=CC=CO1	W18734
N#C[C@@H](C1=CC=C(F)C=C1)C1=C(Cl)C=C(N2N=CC(=O)NC2=O)C=C1Cl	W18799
COC1=C(OC2=C(OCCO)N=C(C3=NC=CC=N3)N=C2NS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1	W18800
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	W18771
C=C(CC(C)C)C(=O)O	W18790
CC(=O)C1=CC(O)=C(O)C(O)=C1	W18822
CN1C(=O)COC2=C1C=C(N)C=C2	W18825
CCOC(=O)C1=C(Br)C(CC)=NN1C	W18969
O=C(O)CC1=CN=C(Cl)C=C1Cl	W18894
BrC1=CC2=CC=C(N3CCNCC3)N=C2C=C1	W18896
OC1=NC=NC(O)=C1C1=CC=CC=C1	W18913
O=[N+]([O-])C1=CC(CO)=CC(C(F)(F)F)=C1	W19034
CCOC(=O)C1=CN2C=CN=C(Cl)C2=N1	W19043
ClC1=NC(Cl)=C2N=CN(C3CCCC3)C2=N1	W19045
O=C(O)C1=CC=C2C=CC=C(I)C2=C1	W18976
OCC#CC1=CC=C(OC(F)(F)F)C=C1	W18980
O=S(=O)(Cl)C1=CC=CC2=C(Cl)N=C(Cl)C=C12	W18992
CC(C)COC1=CC(F)=C(S(=O)(=O)Cl)C=C1	W18998
O=S(=O)(Cl)C1=CC(F)=CC2=CC=CN=C21	W19001
NC1=C2C(F)=CC=CC2=CC=C1	W19087
BrC1=CN=C2C=COC2=C1	W19090
C[Si](C)(C)C1=CC2=NC=C(Br)C=C2O1	W19091
CN1CCNCC1(C)C.Cl	W19008
O=C(O)C1=CN=C2C=C(Cl)C=CN12	W19020
O=C(O)C1=CN=C2C(Cl)=CC=CN12	W19021
CCCC1=CC(O)=CC(O)=C1	W19028
FC1=C(Cl)C=CC2=C1NC=C2	W19144
IC1=C2OCCC2=CC=C1	W19055
NC1=C2C=C(C(=O)O)N=CC2=CC=C1	W19058
O=C1CCN(C2=NC=C(F)C=C2)CC1	W19175
O=C(O)C1=CC(C(=O)O)=C2C=CC=C(F)C2=N1	W19184
C[C@@H](CC(=O)O)OC1=CC=CC=C1	W19103
CN(CC1=CC=C(N)C=C1)C(=O)OC(C)(C)C	W19118
COC1=C(F)C(C(=O)O)=CC=N1	W19150
CC1(C)CCC(CC(=O)O)CC1	W19325
COC1=CC(OC)=CC(C(C)(C)C=O)=C1	W19330
CC1=NN(C)C(C)=C1CN.Cl	W19229
CC1=C(Br)SC(Br)=C1C	W19156
NC1=C2C=C(Cl)N=C(Cl)C2=CC=C1	W19157
CC(C)(C)OC(=O)N1CCC2(CC1)O[C@@H](C(=O)O)C1=C2C=CC=C1	W19166
CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2)CC1	W19167
O=C(O)C1=CN=C2C=CC=C(Cl)N12	W19170
COC(=O)C1=CC2=C(C=C1)C(C=O)=CN2C	W19190
CN(C)C1=CC=CN=C1N	W19197
CC1=NC2=C(N=CN2)C(N)=C1	W19217
COCCNC1=NC=CC(Cl)=N1	W19218
CC1(C)OB(C2=CC(C(F)(F)F)=C(N)C=C2)OC1(C)C	W19219
COC(=O)C1=C(C2CC2)ON=C1C1=C(OC(F)(F)F)C=CC=C1	W19418
CC(C)(C)OC(=O)NCCCB1OC(C)(C)C(C)(C)O1	W19426
Br.NCC1=CC(Br)=C(O)C=C1	W19427
CC(C)(C)OC(=O)N1CCCN2N=NC(CO)=C2C1	W19227
ClC1=NC2=C(C=C1)CCCCN2	W19240
CC1=C(F)C=C(C(=O)O)N=C1	W19243
O=C(O)C1=NC=C(OC(F)F)C=C1	W19244
CC1=C(Br)C=C(C#N)N1	W19337
O=C(O)C1=CC=C(CNC2=NC(C3=CN=CC=C3)=CC=N2)C=C1	W19338
CC1=C(N)C=CC(C(=O)O)=C1F	W19342
CCSC1=C(C(=O)O)N=CC=C1	W19344
O=C(O)C1=CC2=C(C=C1)OC=C2Cl	W19251
CC1=CC=CC(Br)=C1C=O	W19253
COC1=C(C)C=CC(S(=O)(=O)Cl)=C1	W19257
CCOC(=O)C1=CC=C(N)C2=CC=CC=C12	W19260
ClC1=NC(NC2=NNC(C3CC3)=C2)=CC=N1	W19261
OB1OCC2=C1C=CC(Cl)=C2	W19267
CC(C)(C)OC(=O)N1CCC2(CC1)C1=NN=NN1C[C@@H]2C(=O)O	W19275
CC(C)(C)OC(=O)N1CCC2=C(Br)N=CN2CC1	W19276
CC(C)(C)OC(=O)N1CC2(CCC(C(=O)O)CC2)C2=C1C=CC=C2	W19277
O=C(O)C1=CC=NN1C1=CC=C2C=CC(Br)=CN21	W19278
COC1=C(N)C2=C(C=C1)NC=C2	W19281
OCCCOC1=CC=NC=C1	W19282
CC1=CC(OCP(=O)(O)O)=CC(C)=C1CC1=CC(C(C)C)=C(O)C=C1	W19284
CN1CC(=O)OB(C2=NC=C(Br)C=C2)OC(=O)C1	W19297
C=CC1=CNC(=O)C=C1	W19299
CN(C)CC[C@H]1CC2=C(C=CC=C2)C1=O	W19301
CC1=C(Br)SC(C2=NC=CC=C2)=N1	W19302
NC1=NC=CC(N2C=CC=N2)=C1	W19307
CCOC(=O)C1=CN2C(Br)=NN=C2C=C1	W19312
C[C@@H]1NCCC2=C1C=CC=C2.Cl	W19334
NC1=CC=C(Cl)C(Cl)=C1N	W19346
CC(C)C1=NC=CC(C(C)C)=C1N	W19349
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CC2=O	W19416
C1COCC2(C1)CNC2.O=C(O)C(=O)O	W19430
COC(=O)C1=CC2=CC(Cl)=NC=C2O1	W19434
CC(C)(C)OC(=O)N1CC[C@H]2NCC[C@@H]21	W19407
COC(=O)[C@@]12CNC[C@@H]1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C2	W19408
C1COC2(CN1)COC2.O=C(O)C(=O)O	W19448
CNC(=O)C1=NC(N)=C(Br)C=C1	W19538
N#CC1=C(OCC(F)(F)F)C=CC(B(O)O)=C1	W19539
CN1C=C2C(Cl)=NC(Cl)=NC2=N1	W19541
CN1C(=O)C2=C(SC=C2CC(=O)O)N(C)C1=O	W19547
CCCCCC1=CC(O)=C(CCCC)C(O)=C1	W19548
C1NCC2CC1O2.Cl	W19453
C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@@H]1C1=CC=C(F)C=C1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	W19477
CC(C)(C)OC(=O)NCC(F)F	W19478
CSCC1=NC=CC=C1	W19655
C[C@H]1CC[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	W19559
CC(C)(C)OC(=O)N1CC[C@]2(CN(CC3=CC=CC=C3)C[C@@H]2CO)C1	W19567
CCC1=NN(C)C(C(=O)O)=C1I	W19485
FC1=CC=C(Br)C2=NC(C(F)(F)F)=CC=C12	W19487
CC(C)(C)OC(=O)NCC(=O)NCC(F)(F)F	W19489
COC(=O)C1=CC2=C(C=CC3=C2CCN3C(=O)OC(C)(C)C)N1	W19490
C=CCCC1CCN(C(=O)OC(C)(C)C)CC1	W19495
CN1C(C#N)=C(CC(=O)O)C2=C1C=CC=C2	W19498
COC(=O)C12CCCC1CNC2	W19501
CC(C)(C)OC(=O)N1CCCC2=C(C=CC=C2)[C@@H]1C1=CC(Cl)=NC=C1	W19511
CC(C)COC1=C(C#N)C=C(B(O)O)C=C1	W19525
COC(=O)C1=NNC(C2=CC(C)=C(Cl)C=C2)=C1	W19526
BrC1=NC=C2COCCN21	W19531
N#CC1=CC(I)=CC(Cl)=N1	W19533
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1=CC=CC=C1)C[C@@H]2C(=O)O.Cl	W19535
C1=CC([C@@H]2CNCCN2)=CC=N1.Cl.Cl	W19550
COC(=O)C[C@H](N)C1CCC1.Cl	W19551
CC(C)(C)OC(=O)N1CCC2(CCOC[C@@H]2N)CC1	W19553
Cl.O=C(N[C@H]1CNC[C@@H]1O)OCC1=CC=CC=C1	W19557
CC(C)(C)OC(=O)N1CCN(C2=CC(C=O)=C([N+](=O)[O-])C=C2)CC1	W19573
CC(C)(C)OC(=O)N1CCN(C2=CC=CC(F)=N2)CC1	W19574
CN1C2=C(SC(Br)=C2)C2=C1C(=O)NN=C2	W19575
CC(C)(C)OC(=O)N1CC2CC(O)CC1C2	W19579
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O	W19714
N[C@@H](CC1=C(O)C=C(O)C(O)=C1)C(=O)O	P19978
CC(C)(C)OC(=O)C1=CCOC1	W19588
COC1=CC(Br)=C2N=CNC2=C1	W19592
CC(C)OC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)OC1=C(F)C(F)=C(F)C(F)=C1F	W19595
C1=CN=C(C2=C([Ir+]C3=C(C4=NC=CC=C4)C=CC=C3)C=CC=C2)C=C1.C1=CN=C(C2=NC=CC=C2)C=C1.F[P-](F)(F)(F)(F)F	W19685
CC1=C(Br)C=C(C(=O)O)C(N)=C1C	W19687
CC1(C)OB(O)C2=C1C=CC(NC(=O)C1=C(C(F)(F)F)C=C(F)C=C1)=C2	W19688
Cl.NC1CCC(O)(C(F)(F)F)C1	P19015
Cl.O[C@@]1(C(F)F)CCNC1	P19083
COC(=O)[C@@H]1[C@H]2C=C[C@H](C2)N1[C@H](C)C1=CC=CC=C1	W19605
C[C@H]1C[C@H]2CON=C2CO1	W19607
O=C1CC[C@H](C(F)F)C1	W19610
Cl.FC1(F)CC2CC1CN2	W19611
COC(=O)C1=C(F)C=C2NN=NC2=C1	W19619
O=C(O)C1=CC=C(C(F)(F)F)C(F)=C1Cl	W19622
CCS(=O)(=O)C1=CC=C(CC(=O)NC2=CC(Cl)=C(C3=C(OC(F)(F)F)C=CC=C3)C(Cl)=C2)C=C1	W19624
NC(=O)C1=NN=C2C=CC(Br)=CC2=C1N	W19625
CCOC(=O)C1=C2C=CC=CN2C(C2=NNC=C2)=C1	W19633
CC(C)(C)OC(=O)N1C[C@H]2CCC(=O)[C@H]2C1	W19645
O=C1CC(C2=CC=C(N3CCOCC3)C=C2)(C2=CSC=C2)NC(=O)C1SC1=C(Cl)C=CC=C1	W19664
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC2=CC=CC=C2)CC[C@@H]1O	W19666
CP1(=O)CCNCC1.Cl	W19671
Cl.NC12CC(Cl)(C1)C2	W19673
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1	W19675
O=C(NC1=C(C2=CC=C(Cl)C=C2)C=CC=C1)C1=C(O)N=CC=C1	W19676
CC(C)(C)OC(=O)N1CCN2C[C@@H](O)C[C@H]2C1	W19692
CCOC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OCC1=CC=CC=C1	W19695
COC(=O)C1=CN=CC(I)=N1	W19701
C[C@H]1CC[C@H](CO)CN1.Cl	W19702
CC(C)(C)OC(=O)NC12CC(C(F)(F)F)(C1)C2	W19705
CC(C)(C)OC(=O)NC12CC(C#N)(C1)C2	W19709
O=C(O)[C@H]1C[C@@H]1C1=CC=C(Br)C=C1	W19711
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)O)C2	W19724
CCOCC[B-](F)(F)F.[K+]	A51258
Cl.NCC12CCC(O)(CC1)CC2	P19497
CC1(C)OB(C#CB2OC(C)(C)C(C)(C)O2)OC1(C)C	AC2678
Cl.NC1=CC(CO)=NC=C1	P19020
CC(C)(C)OC(=O)N1CC(N)CC(F)C1	P19021
NC1=CC=C2OCOC2=N1	P19024
COC1=CC(Br)=C(N)N=C1	P19026
O=C(O)C1CC(C2=CC=C(Cl)C=C2)C1	P19027
COC(=O)C12CCC(NC(=O)OC(C)(C)C)(C1)C2	C90184
O=C(O)C1=C(NC(=O)C2=CC=CC=C2)C(O)=CC=C1	F53345
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O	P19131
CC1(C)OB(C2=CN=CO2)OC1(C)C	P19499
CC1(O)CC(N)C1	P19045
NC1=C(Br)C=CC(C2CC2)=N1	P19046
CC(C)(C)OC(=O)NC1=CN2C=CC=C(Br)C2=N1	F53346
Cl.NC12CCC(F)(CC1)CC2	P19031
O=C(O)C1CCC2C(C1)C2(F)F	P19088
O=C(O)C1CCC2(CCOCC2)CC1	P19203
CC1=CC(=O)[C@H]2OC(C)(C)O[C@@H]12	P19204
CC(C)(C)OC(=O)N1CC[C@@H]2NCCC[C@@H]21	P19307
C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	P19308
O=C1C=C(CNC2CC2)NC(=O)N1	P19366
NC1CCOCC1CO	P19367
CCOC(=O)C1=NC(C2=CC=C(OC(F)(F)F)C=C2)=NO1	P19315
N[C@@H]1COC[C@@H]1OC1=CC=C(Br)C=C1	P19316
N[C@@H]1COC[C@@H]1OC1=CC=C(Br)C=C1	P19317
C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C	P19092
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2N	P19033
C[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C	P19115
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CO)C2	P19119
O=C(O)[C@H]1NC2CCC1CC2	P19041
C1NCC2CC1CO2.Cl	P19043
COC(=O)CC1=CN=C(Cl)N=C1	P19981
COC(=O)[C@H]1CCC2=C(C=CN=C2N)C1	C90176
CC(C)(C)OC(=O)N1C2CCC(=O)C1CC2	P19425
OCC[C@H]1CCO1	P19429
O=C(O)C[C@H]1CCO1	P19430
C#C[C@@H]1CCCN1.Cl	C90741
CCCCCCCCCCCCCC(=O)OCC(OCC)OCC	C90348
CCCCCCCCCCCCCC(=O)OCC(O)O	C90349
CN(C)[C@H]1[C@@H]2CNC[C@@H]21.Cl.Cl	P19056
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H](F)C1	P19058
NC1=C(OC(F)(F)F)C=CC(Br)=N1	P19389
O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2	P19062
COC1=CC(F)=CN=C1[N+](=O)[O-]	C90384
O=C(O)C1CCC1F	P19066
O=C(O)C1C2(CC2)C12CC2	P19070
CC1(C)CCC[C@H](N)C1.Cl	P19506
CC(C)(C)OC(=O)N1CC2(CC(C#N)C2)C1	C90957
CC1(C)OB(C2=CCN(C(N)=O)CC2)OC1(C)C	C90389
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CC1(C)CCC[C@H](N)C1.Cl	P19507
O=C(O)C(F)(F)F.O=C(O)[C@H]1NCC[C@@H]1F	P19512
COC(=O)C1=CC2=C(C=C1)NC[C@@]21CCCN(C(=O)OC(C)(C)C)C1	D85284
O=C(CC1=CC=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C=C1Cl	C90748
CC(C)N1C=CC=C(C(=O)O)C1=O	P19149
O=C(O)C1CCC(C(F)(F)F)O1	P19160
Cl.NC12CC(C3=CC=CC=C3)(C1)C2	P19163
COC(=O)[C@@H]1CCCC[C@@H]1N.Cl	P19164
O=C(O)[C@H]1C[C@@H]1C(F)F	P19173
O=C(O)C1=CC(C(F)(F)F)=NC=N1	P19182
O=C(O)C1(C2=CN=C(C(F)(F)F)C=C2)CC1	P19209
COC(=O)[C@@H]1CC2=C(C=CC(Cl)=C2)N1	P19222
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2=CC=CC=C2)C[C@@H](C(=O)O)C1	P19224
CC(=O)N[C@@H]1[C@@H](OCCCCC(=O)O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	P19227
COC1=CC(C(=O)O)=C(C)N=C1	P19231
COC(=O)C12CCCC(C(=O)O)(C1)C2	P19217
Cl.N[C@H]1C[C@H]1C1=CC=CC=C1	P19281
CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2O	P19283
Cl.O=C(O)[C@@H]1CCCCCN1	P19284
FC1=CC=C2NC=C(I)C2=N1	P19237
N#CC1=C(F)C=C2C=CNC2=N1	P19238
COC1=CC2=C(N=C1)NC(=O)C2	P19240
O=C1NC2=CC(Br)=CN=C2C12CCOCC2	P19242
COC(=O)[C@@H]1C[C@H](CO)CN1C(=O)OC(C)(C)C	P19246
CN[C@@H]1CNC(=O)C1	P19248
O=C1CCC2=NC=C(F)C=C12	P19250
C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	P19259
COC(=O)C1=NC=CC(OC(F)(F)F)=C1	P19260
OC1=CN=C(Cl)C=C1C(F)(F)F	P19263
COC(=O)CC1=C(Br)C=CC(Cl)=N1	P19264
CN1CCNC2=NC=C(Br)C=C21	P19266
O=C(O)[C@H]1CCC[C@H](O)C1	P19276
FC1=C(Cl)C=CN=C1C(F)(F)F	P19277
CC(C)(C)OC(=O)N1CC2(CC(=O)C2(Cl)Cl)C1	P19293
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1	P19302
NC1=CNN=C1C1CCCCC1	P19305
CC(C)(C)OC(=O)N1C[C@H]2CC(N)[C@H]2C1	P19306
CC(C)(C)OC(=O)N1CCC2(CCCNCC2)CC1	P19312
O=C(O)C1=NC=C2C=C(C(F)(F)F)C=CC2=C1	P19313
CC(C)(C)OC(=O)NC1(C(=O)O)CNC1	P19322
CC(C)(C)OC(=O)N1CCNC[C@H]1C(C)(C)O	P19325
CC(C)(C)OC(=O)N[C@H]1CC[C@H](N)C[C@@H]1F.Cl	P19329
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](N)C1	P19334
CC(C)(C(N)=O)N1C=C(B2OC(C)(C)C(C)(C)O2)C=N1	P19336
C[C@H]1CC[C@H](N)CN1C(=O)OCC1=CC=CC=C1	P19342
CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1	P19343
C[C@H]1CCC[C@H](C)N1.Cl	P19345
CC(C)(C)OC(=O)N1CCN2N=NC(CCl)=C2C1	P19346
NC1=C(Br)C=C(C(F)(F)F)N=N1	P19350
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H](N)C2	P19351
OB(O)C1=C2NC=CC2=CN=C1	P19352
CC1=CC2=NC=CN=C2N1	P19354
CC(C)(C)OC(=O)N1[C@H]2C[C@@]2(C)C[C@@H]1C(=O)O	P19347
CC(C)OC1=C(C#N)C=C(C2=NC(C3=CC=CC4=C3CC[C@@H]4NC(=O)OC(C)(C)C)=NO2)C=C1	P19348
CC(C)(C)OC(=O)N1CCC2(CC(CN)CO2)C1	P19368
NC[C@H]1CCS1(=O)=O	P19377
CN1N=CC(B2OC(C)(C)C(C)(C)O2)=C1C(F)(F)F	P19380
FC1(F)CCCC12CCNCC2	P19385
O=C(O)C1CC1CF	P19356
N#CC1=NC(N)=C(Br)C=C1	P19357
OC1CC2(C1)CC(O)C2	P19359
CC(C)(C)OC(=O)N1C[C@@]2(F)CNC[C@@]2(F)C1	P19360
O=C(O)C1=C2C=C(Cl)N=CC2=CC=C1	P19363
O=C(O)C1CCCC(CO)C1	P19364
CC1=C(C(=O)O)C2=C(C=C1)NC=C2	P19388
CCOC(=O)C1=CN2CCCC(=O)CC2=C1	P19423
ClC1=CC=C2C(=N1)C(I)=NN2[C@@H]1CCCCO1	P19431
C#CC12CCC(NC(=O)OC(C)(C)C)(CC1)CC2	P19432
CC1=CC2=CC(C(=O)O)=CN=C2N1	P19441
COC1=NC=C(C)C(N)=C1C	P19442
CO[C@H]1CCC[C@H]1N.Cl	P19444
C=C1C(=O)OC[C@@H]1NC(=O)C1=C(O)C=CC=C1	P19450
O=C(O)[C@@H]1CC[C@H](O)C1	P19451
COC(=O)C1=C([C@H](C)OC2=C(N)N=CC=C2)C=C(F)C=C1	P19459
O=C1C=CN(CC(=O)NCC(F)(F)F)C(=O)N1	P19461
CC1(O)CN(C(=O)C2=CNC(=O)NC2=O)C1	P19467
CC1(C)OB(C2=CC3=C(C=C2)CNC3)OC1(C)C	P19473
COC(=O)C1CCC2C(C1)C2(F)F	P19474
CC(C)C1=NC(N)=C(Br)C=C1	P19476
CC(=O)C1=CC2=CC=CC(C)=C2N=C1	P19483
O=C(O)[C@H]1CC12COC2	P19485
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](F)C1	P19487
COC(=O)[C@H]1C[C@H]1C(=O)O	P19533
O=C(O)C[C@@H]1CC[C@H](O)C1	P19536
CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C#N	P19540
COC1CCN(C2=CN=C(N)C=C2)CC1	P19543
BrC1=CC=C([C@@]23CNC[C@@H]2C3)C=C1	P19545
O=C(O)C12CCC(C(=O)O)(C1)C2	P19547
O=C(O)C1=CN=C2C=C(F)C(F)=CC2=N1	P19550
CC1=CN=C2C=C(C(F)(F)F)C=CC2=N1	P19580
Cl.Cl.N[C@H]1C[C@H]1N	P19582
O=C(O)C1CC2CCC(C2)C1	P19584
OCC1(CF)COC1	P19586
C[C@H]1C(=O)CN1C(=O)OCC1=CC=CC=C1	P19587
NC1=C(Br)C=CC(OC(F)(F)F)=N1	P19390
CC(C)(C)OC(=O)N1CCOC[C@@]12CCNC2	P19393
CC(C)(C)OC(=O)N1CC[C@@](C#N)(CO)C1	P19398
CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1CN	P19408
C[C@@H]1[C@@H](O)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	P19411
CC1=NN(C(C)(C)C#N)C=C1N	P19416
CCOC(=O)CC1=NC(C)=C(F)C=C1	P19419
CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(F)(F)F	P19454
CC(C)(C)OC(=O)N1[C@H](/C=C/CBr)COC1(C)C	P19455
COC(=O)[C@@]1(F)CC=C(B2OC(C)(C)C(C)(C)O2)CC1	P19457
Cl.N[C@H]1CC[C@H](F)CC1	P19513
O=C(O)C1CCC1C1=CC=CC=C1	P19515
CC1=CN2C=C(Br)C=C(N)C2=N1	P19517
COC1=C([N+](=O)[O-])C=CC2=C1CCN2	P19518
O=C(O)[C@H]1CC12CCOCC2	P19519
O=C(O)[C@H]1CC12CCOCC2	P19520
C=C[C@@]1(C)CC(=O)[C@@H]2OC(C)(C)O[C@@H]21	P19525
CCOC(=O)C1=C2C=C(Cl)C=CN2N=C1	P19531
CS(=O)(=O)C1=C(Cl)N=C(N)N=C1Cl	P19557
COC(=O)C12CCC(F)(CC1)CC2	P19559
C[C@]1(C(=O)O)CC[C@H](O)CC1	P19563
O=C1C=C(C(F)(F)F)CCC1	P19565
OC1=C(C(F)(F)F)C=CN=C1Cl	P19569
C[C@]1(Br)CC(=O)NC1=O	P19572
O=C(CC1=CC(Cl)=C(Cl)C=C1Cl)C1=CC=C(Cl)C=C1	C90661
O=C(O)C1(C2=CC=CC3=CC=CC=C32)CC1	AC3333
NC1=NC2=CC(Br)=CN=C2N1	AC3379
CC1=NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2O1	AC2726
CCOC(=O)C1=C(O)C2=CC=CC=C2N=C1C1=CC=CC=C1	C90394
N#CC1=CC(Cl)=C(Cl)C=C1F	C90835
O=C1C=C(C(F)(F)F)CO1	AC2742
COC1=CC=C2C=CC(CBr)=CC2=C1	AC2748
CC(C)(C)OC(=O)N1CCC2=CN=C(Cl)C=C2C1	AC2830
O=C(O)CC1=CN=CO1	AC2863
C1=CC=C(P2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1	AC2874
CC(=O)NC1=CC=C(C2=CC=C(C(N)=O)C=C2)C=C1	AC3064
CN1C(=O)CC2=C1C=CC(NC(=O)NC1=CC=C(F)C=C1)=C2	AC3066
CC1=CC=C(Br)C2=NC=NN12	AC3070
Cl.Cl.NC1=CNC2=C1C=NC=C2	AC3430
O=CC1=CN=C(OC2CCC2)N=C1	AC3151
CCOC(=O)C1=CN=C2C=CC(N)=CN12	AC3160
CCOC(=O)C1=CC(N)=CC(C(=O)OCC)=N1	AC3162
CC1(C)OB(C2=CC=C3OCC(=O)NC3=C2F)OC1(C)C	AC3249
CN1N=C(CCO)C=C1N	AC3264
COC1=CN=C(Cl)C=C1Cl	AC3276
O=CC1=CC2=C(C=CO2)C=C1	AC3295
BrC1=CC2=C(C=C1)NC1=CC=CN=C12	AC3309
CC1(C)C2=CC(O)=C(Br)C=C2C(=O)C2=C1NC1=C2C=CC(C#N)=C1	AC3411
NCC1(C2=CC=CC(F)=C2F)CC1	AC3449
NC1(C2=C(F)C=C(Br)C=C2)CC1	AC3462
O=C(O)C1(C2=CC=CC(Cl)=C2Cl)CC1	AC3516
COC(=O)CC1=C(C#N)C=C(O)C=C1	AC3541
O=C(O)C1(C2=CC(F)=C(Cl)C=C2)CC1	AC3592
C[Si](C)(C)C#CC1(C(=O)O)CCC1	AC3593
COC(=O)C1=CC(Cl)=C(N)C=C1O	AC3675
N#CCC1=NC2=C(Cl)C=CC=C2N1	AC3799
O=C(O)C1(C2=C(F)C=CC(Br)=C2)CC1	AC3762
Cl.ClC1=NC=C2CNCCC2=C1	AC3838
COC1=C(O)C=CC(/C=C/C(=O)/C=C(O)/C=C/C2=CC(OC)=C(O)C=C2)=C1	AC3841
CC(=O)OCC1=C(N2CCN3C(=CC4=C3CC(C)(C)C4)C2=O)C=CC=C1B1OC(C)(C)C(C)(C)O1	AC3895
CCOC(=O)[C@@H](C#N)P(=O)(OCC)OCC	AC3900
CC(=O)N1CCC[C@H](NC2CC2)C1	AC3915
CC1=CC=C(Br)C2=NC=CN=C12	AC3950
CC1=C(Br)C=C2C(=C1)NC=C2C(=O)O	AC3959
Cl.NCC1=NC=C(B(O)O)C=C1	AC4036
CC1=C(Br)C=CC2=C1NC(=O)CC2	AC4096
CC(C)(C)OC(=O)NCC(=O)N1CC(F)(F)C[C@H]1C(N)=O	AC4301
Cl.N#C[C@@H]1CC(F)(F)CN1C(=O)CN	AC4303
CC(=O)C1=CC=C(Cl)C2=CC=CN=C12	AC4279
CC1=C(F)C(Br)=NC2=C1OCC(=O)N2	AC4177
CCO/C(C)=N\OCC1=CC(C(F)(F)F)=C(C2CCCCC2)C=C1	AC4186
COC(=O)C1=C(Br)N(C)N=N1	AC4233
CCOC(=O)CC1=CN=CC(C#N)=C1	AC4451
ClC1=CN2N=CN=C2C(Br)=C1	AC4253
O=CC1=C(Br)C=C(F)C=C1Cl	AC4254
O=CC1=CC=CC2=C(O)C=CC=C12	AC4306
CC1(C)OB(C2=CC=C(C3=NOC(=O)N3)C=C2)OC1(C)C	AC4327
NC(=O)CCCCCCO	AC4329
NCCC1CCC(F)C1	AC4332
CN(C)CCCN1C=CN=C1[C@H]1CCCN(C(=O)C2=CC3=C(C=CN3)C=C2)C1	AC4374
CC1=CC(Br)=CN2C=C(N)N=C12	AC4382
ClC1=NC=CN2C1=CN=C2Br	AC4389
NC1=CC2=C(C=C1)N=C(N)O2	AC4391
N#CC1=CC(CCO)=CN=C1	AC4675
C[C@H]1C(=O)C2=C(C=CC=C2)S1(=O)=O	AC4676
CS(=O)(=O)C1=C2NC(CC#N)=NC2=CC=C1	AC4507
COC1=C(N)C=CN=C1C	AC4530
NC1(C2=CC=CC(Cl)=C2)CCC1	AC4565
FC1=CC(Br)=CN2N=CN=C12	AC4566
CC1=C(B(O)O)C=CC(O)=N1	AC4577
CC(C)(C)OC(=O)N[C@@H](CO)CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C	AC4634
O=CC1=C(Br)C=CC=C1N1C=CC2=CC(C3CC3)=CC(F)=C2C1=O	AC4636
CC(C)(C)OC(=O)NC(=N)NOCC[C@H](NC(=O)OC(C)(C)C)C(=O)O	AC4650
COC(=O)CN(CC(=O)OC)C1=C(OCCOC2=C(N(CC(=O)OC)CC(=O)OC)C=CC([N+](=O)[O-])=C2)C=CC=C1	AC4706
C#CC1=CC2=C(C=C1)OCCN2C(=O)OC(C)(C)C	AC4886
OC1=C(I)C=CC(Br)=N1	AC4863
CC(C)(C)OC(=O)NC1(CBr)COC1	AC4811
Cl.NC1(C2=C(Cl)C=CC=C2Cl)CCC1	AC4820
NC1=C(F)C=CC(Br)=C1N	AC4832
COC(=O)CC1=CC(Br)=C(C)C=N1	AC4838
O=C1CCC2=CC(Br)=CC(C(F)(F)F)=C2N1	AC4909
N#CC1=NC(Cl)=C(Br)C=N1	AC4928
O=C1C=C(O)C2=C(CCCC2)O1	AC4983
CC(C)(C)OC(=O)NC(=N)NOCC[C@H](NC(=O)OC(C)(C)C)C(N)=O	AC5054
CC(C)(C)OC(=O)N1C[C@@H]2CNCC[C@@H]21	AC5090
O=S1(=O)C=CC2=C1C=CC(Br)=C2	AC5128
OC1CC2COCC(C1)C21OCCO1	AC5131
O=C1NC=CC2=C1NC1=C2C=CC=C1	AC5157
NCCN1CC(F)C1	AC5382
CC1(C)OB(C2=CC=CC3=NC=NN23)OC1(C)C	AC5318
ClC1=CC2=NC=NN2C(Cl)=C1	AC5319
COC(=O)[C@H]1O[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1	AC5321
O=C(O)C1(C2=CC3=C(C=C2)OCO3)CCC1	AC5326
CCOC(=O)C1=CC(N)=NO1	AC5337
O=C1NC(=O)C2=C(N1)C(Br)=C(C(=O)O)N2	AC5343
COC(=O)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C	AC5389
NC1=NC2=CC=CC(B(O)O)=C2O1	AC5392
COC(=O)C[C@H]1COC2=C1C=CC(Br)=C2	AC5417
C#CC1=CC=C2NCCOC2=N1	AC5459
N#CC1=CC=C(Br)C2=NC=CN=C12	AC5516
CC(C)OC1=CC=C(CC2=CC=C(N)C=C2)C=C1	AC5635
NC1=C(N2CCC3(CC2)CC3)C=CC=C1	AC5588
CC(=O)NC1=CC=C(CC(=O)NO)C=C1	AC5590
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)O)C1	AC5603
CC(=O)NC1=CC=C(N(S(=O)(=O)F)S(=O)(=O)F)C=C1	AC5609
O=C(O)C1=CC(Cl)=CC(Cl)=C1C(=O)O	AC5742
CCCCC[C@@H](O)CC[C@@H]1[C@@H](O)C[C@H]2CC3=C(OCC(=O)[O-])C=CC=C3C[C@@H]12.[Na+]	AC5811
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@H]1CO	AC6022
C[C@H](Cl)CCCO	AC5969
NCC(F)(F)C(=O)O	AC6133
COC1=NC=C(NC(=O)NC2=CC=C([N+](=O)[O-])C=C2)C=C1	AC6039
CNCCF.Cl	AC6046
ClC1=CC2=NC(Cl)=NC(Cl)=C2S1	AC6097
NC1(C2=CC(Cl)=C(Cl)C=C2)CC1	AC6202
CCN(CC)CCC[C@H](C)NC1=CC(OC)=CC2=CC=CN=C21	AC6214
O=C1NC2=C(C=C(Br)C=C2)C1(F)F	AC6346
CC(=O)NC1=NC(Cl)=NC(Cl)=N1	AC6444
COCC1=CC(C(=O)NN)=NO1	AC6491
CN1C(=N)N(C)/C(=C/C2=CNC3=C2C=CC=C3)C1=O	AC6506
NC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O	AC6523
CCC1=CC2=C(C=C1)NC=C2C=O	AC6625
O=C1CCC(O)(C2=CN=CN=C2)CC1	AC6665
COC1=C(O)C=CC(OCC2=CC=CC=C2)=C1	AC6685
C1=C2N=NNC2=CC2=C1NN=N2	AC6687
O=C1N(C2=CC=CC=C2)CC[C@@]12CCCN(CC1=CC=CC=C1)C2	AC6949
COC(=O)[C@H](CCCCO)NC(=O)OC(C)(C)C	AC6865
NC1=C([N+](=O)[O-])C=CC(CCCO)=C1	AC6922
N#C[C@H]1CC[C@H](N)CC1	AC7043
NC1=CC(C(F)F)=NC=C1	C90223
COC1=CC(Cl)=NC(OCC2=CC=CC=C2)=C1	C90340
O=[N+]([O-])C1=CC2=C(C=C1)S(=O)(=O)C=C2	AC7176
OCC1=C(C2CC2)ON=C1C1=C(Cl)C=CC=C1Cl	AC7419
O=C(O)C1(C2=CC(Cl)=C(F)C=C2)CC1	AC7264
CN1C[C@@H](CC(=O)O)CC1=O	AC7342
CC(C)(C)OC(=O)NC(C(=O)O)C1CCC2=C(C=CC=C2)C1	AC7350
O=CC1=NN=C(C2=C(F)C=CC=C2)N1	AC7393
O=CC1=CN=C(OCC(F)(F)F)N=C1	AC7406
O=C(O)C1(C2=CC3=C(C=C2)OCO3)CCCC1	AC7416
NC1=CC2=C(C=C1)C=NS2	AC7467
C=C[C@H]1CCN(C(=O)OC(C)(C)C)C1	C90220
CCCC[Sn](CCCC)(CCCC)C1=NC=C(C)O1	A51271
O=C(CCN1C(=O)C=CC1=O)NC1=CC2=C(C=C1)C1=C(C=C(S(=O)(=O)O)C=C1)[C@H]2COC(=O)ON1C(=O)CCC1=O	C90228
CC(=O)NC1=CC=C(OS(=O)(=O)[O-])C=C1.[K+]	C90450
CCOC(=O)C1=C(OCC)OC(C)=N1	C90453
O=CC1=CC(Cl)=C(Cl)C=C1F	C90875
CC(C)(C)OC(=O)N1CC[C@H](O)CC12CCC2	F53385
N#C[C@@H]1CC2CCN1CC2	F53394
O=CC1=NNC2=C(Br)C=CC=C12	F53400
BrC1=CC=CC2=CC=NN12	F53404
CC(C)(C)N1N=C(Br)C2=C(N)N=CN=C21	F53417
O=C1CCOC2=C1C=NC=C2	F53452
NC1=C2C=CC(Br)=CC2=CC=C1	F53484
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1N	F53543
C=CC1(O)CC1	F53569
C[C@H](N)C1=CC2=C(C=C1)OCO2	F53588
CC(C)CN(CC(=O)N1CCN(C[C@H](OCC2=CC3=CC=CC=C3C=C2)C2=C(Cl)C=C(Cl)C=C2)CC1)CC(C)C	F53593
C[C@@H]1NCCN(C)C1=O	F53781
COC(=O)C1=C(N)N=C(OC)C=C1	F53788
BrC1=CC(C2CCC2)=CC=C1	F53633
NS(=O)(=O)CC1=CC=NC=C1	F53743
COC(=O)[C@@H]1CC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C(=O)N21	F53655
N#CC12CC(Br)(C1)C2	F53660
O=CC1=C(O)C(F)=C(Br)C=C1	F53695
CCOC(=O)C1=C(N)N=C(Cl)C=N1	F53707
COC1=CC=C(O)C(Br)=N1	F53711
CC(C)(C)OC(=O)N1CCOC[C@@H](O)C1	F53764
CC(C)(C)OC(=O)N1CCOC[C@@H](O)C1	F53767
O=C(NC12CCC(C(=O)O)(CC1)C2)OCC1=CC=CC=C1	F53773
COC(=O)C12CCC(NC(=O)OCC3=CC=CC=C3)(CC1)C2	F53774
O=CC1(CBr)COC1	F53806
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(F)=C1I	F53854
C[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C	C90249
CN[C@H](C(=O)O)C1CCCC1	C90263
O=C(NC1=CC=CC(C2=CC=NC3=C(Br)C=NN23)=C1)C1=CC(C(F)(F)F)=CC=C1	N16801
C=CC(=O)OCCOC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1	N16846
COC1=CC(OC)=C(F)C(COC2=CN=C(NC3=CN(CCO)N=C3)N=C2)=C1F	N17013
COC1=CC=CC(C2=NN(CCN3CCOCC3)C(=O)C(C)=C2)=C1.Cl	N17040
CCCCC1CCN(CCCC(=O)C2=C(C)C=CC=C2)CC1.Cl	C90483
NC(=O)[C@@H]1CCC(=O)N1C(=O)OCC1=CC=CC=C1	C90326
NC1=NC2=C(N=CN2COCCOP(=O)(O)O)C(=O)N1	C90516
CCCCCC1=CC=CC(CC(=O)O)=C1	C90270
N#CC1=C(Br)SC([N+](=O)[O-])=C1	C90306
CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C1=CC=C(C(=O)O)C=C1	C90286
CC(C)NC[C@H](O)COC1=CC=C(C=O)C=C1	C90292
NC1=NC=CC2=NC=CN=C12	C90319
CO[C@H]1CNC[C@@H]1O.Cl	P19984
CC1=C(C#N)C(Cl)=NC(N)=C1	C90487
CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1	P19989
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](N)C1	P19608
N#CC1=C(CN)C=CC(Cl)=C1	C90576
CN(CCC[C@H](O)C1=CN=CC=C1)N=O	C90539
O=C(N[C@H]1C[C@@H]1O)OCC1=CC=CC=C1	C90586
O=C(O)[C@@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@@H]1F	P19593
CC1(C)CC(CBr)CC(C)(C)O1	P19599
CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)O	P19600
COC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)OC(C)(C)C	P19601
CO[C@H]1CNC[C@H]1O.Cl	P19606
N#CC1=CC(Cl)=CN=C1Br	P19613
CC1=C(C2=CC(C(F)(F)F)=NC=C2)C=NC([C@H](C)N)=C1	P19990
COC(=O)C1=CC(Br)=C2OCCC2=C1F	P19650
CC1=C(F)C=C2C(Cl)=CC=NC2=C1	P19654
CCOC(=O)N1CCC2=C(C1)N=CC(Cl)=N2	C90579
COC(=O)[C@]1(OC)C[C@H](O)C1	P19626
CN1C(=O)[C@@H](NC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)COC2=C1C=C(Br)C=C2	P19628
C=CCN(C)C1=CC2=C(C=C1)C(=O)C1=C(C=C(N(CC=C)CC=C)C=C1)[Si]2(C)C	P19632
CC(C)(C)OC(=O)NC12CC(C(F)F)(C1)C2	P19633
OB(O)C1=NC=CN=C1	A51297
CC(=O)C12CC(CBr)(C1)C2	P19639
COC(=O)C12CC(CI)(C1)C2	P19648
CC(C)(C)OC(=O)N1C(B(O)O)=CC2=C1C=NC=C2	P19656
COCCOCCOCCOCCOCCOCCOCCBr	C90665
CC(C)(C)C1=C(CO)N=C(N)S1	C90669
CC1=CC(N(C)C)=NC(C)=C1C=O	C90673
CN(C)C1=NC=C(CC#N)C=C1	C90674
C[C@H](NC(=O)OC(C)(C)C)C(C)(F)F	C90676
NC1=C(F)C=CC(Cl)=N1	C90958
CC(C)(CC1=CC=CC(Br)=C1)C(=O)O	C90966
COC(=O)CCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1	C90967
COC(=O)CCC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1	C90968
ClC1=CC=C(Br)C2=CN=CN12	C90984
FC1=CC2=C(N=C1)N(CC1=C(F)C=CC=C1)N=C2I	C91167
CC1=C(Cl)C2=NC(C(F)(F)F)=C(C#N)C(N3CCO[C@@H](CO)C3)=C2N1	C91169
CC1(C)OB(C2=C(F)C=C(N)N=C2)OC1(C)C	C91190
CC1(C)OB(C2=CC=C(C3=CC=CO3)C=C2)OC1(C)C	C91194
C#CCCC1(CCC(=O)O)N=N1	C91206
O=C(O)[C@H]1C[C@@H]1C1=CN=CC=C1	C91236
NC1=C(F)C=NC(C(F)(F)F)=C1	C91250
COC1=CN=C(Br)C2=C1C=CN2	C91308
COC1=C2NC=C(C)C2=CC(Br)=C1	C91318
O=C1NCCC2=C(Cl)C=CC(Cl)=C12	C91338
C=CC(=O)N1CC[C@H](OC2=C(CC)N=C(C(N)=O)C(NC3=CC=C(N4CCC(N5CCN(C)CC5)CC4)C=C3)=N2)C1	C91356
O=C(O)[C@H](CO)C1=CC=CC=C1	C91447
O=C(O)[C@H](CO)C1=CC=CC=C1	C91448
ClC1=CN2C=NC=C2C(Br)=C1	C91441
COC1=CC(Br)=CN=C1C1CC1	C91468
CC1(C)OB(C2=CC(C(F)F)=NC=C2)OC1(C)C	C91549
CCOC(=O)C1CC1C1=CN=CC=C1	C91571
ClC1=NN2C=CN=C2C(Cl)=N1	C91579
CC(C)(C)C1=C(C(=O)O)C=C([N+](=O)[O-])C=C1	C91658
C[C@H](N)C1=CC2=C(C=C1)SC=N2.Cl	C91674
CN1CCNCC12CC2.Cl.Cl	C91675
COC(=O)C1=C(OC)C=CC2=C1NC=N2	C91679
CC(C)(C)OC(=O)N1CCC2=C1C=CC(CO)=C2	C91681
CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O	C91682
CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O	C91683
NCC1=C(OC2CC2)C=C(F)C=C1	C91692
CCC(CC)COC(=O)[C@H](C)NP(=O)(OC1=CC=CC=C1)OC1=CC=C([N+](=O)[O-])C=C1	C91697
CNC(=O)[C@@]1(C)CC[C@@H](N)C1.Cl	P19662
COC(=O)C1=CC2=NC=NN2C(Cl)=C1	C91716
ClC1=NC=C(Br)C2=NC=CN12	C91752
NC1CCOC(C2=CC=CC=C2)C1	C91898
N#CC1=CC(C=O)=CC(F)=C1F	C92446
CC1=C(NC(=O)C2=C(NC(=O)C(F)(F)Br)SC3=C2CCCCC3)C=CC=C1	C92142
COC1=NN(C)C=C1NC1=C2N=CNC2=NC(F)=N1	C92347
CC1=C(C2=CN=C(F)C(N3CCOCC3)=C2)C=C(NC(=O)C2=CC(C(F)(F)F)=CC=C2)C=N1	C92363
C=CC(=O)N1CCN(CCCN2C(=O)C(C3=C(Cl)C(OC)=CC(OC)=C3Cl)=CC3=C2N=C(NC)N=C3)CC1	C92492
C[C@H](OCC1=CC=CC=C1)[C@H](C)OC1=C(C(F)(F)F)C=NC(Cl)=N1	C92604
O[C@H]1COC2=C1C(Br)=C(F)C=C2	C92691
N#CC1=C(F)C=CC2=C1[C@@H](O)CO2	C92692
CCOC(=O)C1=CN=C2C=C(F)C(Br)=CC2=C1Cl	C93018
NC1=CC([C@H]2CCOC2)=NN1	C93289
CCOC(=O)C1=CC=CC(C(F)F)=N1	P19666
CC1(C(=O)O)CC2CCC1N2C(=O)OCC1=CC=CC=C1	P19667
CC(C)(C)OC(=O)N1CCC2=CC=CC(CBr)=C2C1	P19668
COC(=O)N1CCC2(CC1)CNC2.Cl	P19674
O=C(OCC1=CC=CC=C1)N1CC2(CO2)C1	P19676
CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2O	P19677
CN1C(=O)CC2=C(Br)C=CN=C21	P19678
O=C1CC2=C(Br)C=C(Cl)N=C2N1	P19679
CC(C)(C)OC(=O)NCCC1(C(=O)O)CC1	P19680
COC(=O)[C@H]1CC[C@@H]1C(=O)OC	P19734
CC(C)(C)OC(=O)N1C[C@H](O)C1(C)C	P19735
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C#N	P19681
CCOC(=O)C1=NC2=C(C=C(F)C=C2)O1	P19815
O[C@H]1C[C@H](C(F)(F)F)C1	P19819
Cl.FC1(F)CC2CNCC2C1	P19747
COC(=O)[C@@H]1C[C@H](N)C1(C)C.Cl	P19748
CC1=C(B2OC(C)(C)C(C)(C)O2)CCCC1	P19749
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C=O)C1	P19686
O[C@@H]1C=C(Br)COC1	P19693
Cl.O=C(O)CC[C@H]1CNCCO1	P19696
CC(C)(C)OC(=O)N1CCC(C2=CC(CO)=CC=C2)CC1	P19698
COC(=O)C1=CC(Br)=C2C=CNC2=N1	P19706
CC1(C)OB(C2=CC=NC3=C2CC(=O)N3)OC1(C)C	P19707
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)O	P19708
CC(C)(O)[C@H]1CCC2=C(C1)NC1=C2C(Br)=C(F)C=C1C(N)=O	P19712
CC1=C(N2C(=O)C3=CC=CC(F)=C3N(C)C2=O)C=CC=C1B1OC(C)(C)C(C)(C)O1	P19713
Cl.O=C(O)CC[C@H]1CNCCO1	P19716
COC(=O)[C@H]1CCN[C@@H](C)C1.Cl	P19718
C[C@]1(F)CCNC1.Cl	P19721
COCCN1C[C@@H]2C[C@H]1CN2.Cl.Cl	P19722
OCC1CCC1F	P19725
CC1C(CC(=O)O)CN1C(=O)OC(C)(C)C	P19727
CC(C)(C)OC(=O)NC1CC2(CCC(=O)CC2)C1	P19731
C[C@@H](CO)N1CCC1	P19737
CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2	P19740
COC(=O)C1CC2CCCC(C1)N2.Cl	P19742
C1COC[C@@]2(C1)CCN2.Cl	P19743
COC(=O)C1=C2C(F)=CNC2=NC=C1	P19811
COC[C@H]1CC[C@@H]1N.Cl	P19812
CSC1=NN2C=C(Br)C=C2C=N1	P19769
O=CC1=CN(C(F)(F)F)N=C1	P19775
Cl.O=C1C=C(C(=O)N2CCNCC2)NC(=O)N1	P19781
CC(C)(C)OC(=O)N1CCC2(CC1)CC1=C(C=CC=N1)C2=O	P19784
N#CC1CCN(C2=CN=C(N)C=C2)CC1	P19787
FC1(F)CC2(CC(Br)C2)C1	P19788
COC(=O)C1=NC=CC=C1CN.Cl	P19801
COC(=O)C1=C(Cl)C(OC)=CC=N1	P19802
FC1=CC=C(N2N=C3C=CC=CC3=C2Br)C=C1	P19810
ClC1=NC=C2OC=CC2=C1	P19823
FC1=CC=C(N2C=C3C=CC=CC3=N2)C=C1	P19825
CN1CCC([C@@H](N)CO)CC1	P19829
C[C@H]1CN(C(=O)OC(C)(C)C)CC2=C(C(=O)O)NN=C21	P19889
O=C(OCC1=CC=CC=C1)N1C[C@@H]2C[C@]2(C(=O)O)C1	P19890
NC1=CC(C(F)(F)F)=NC(C(=O)O)=C1	P19833
COC(=O)C1=CC(N)=CC(C(F)(F)F)=N1	P19838
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H](N)[C@H]1CC2	P19851
C#CC1(N)COC1.Cl	P19855
COC(=O)CC1=NC=C(Br)C=C1F	P19867
Cl.O[C@@H]1CNC[C@@H](O)C1	P19870
COC(=O)C1=CC(Br)=C2OC=CC2=C1F	P19874
CCS(=O)(=O)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	P19877
O=S1(=O)CC[C@@H]1CO	P19878
C[C@]1(F)CCNC1.Cl	P19900
COC12CCC(CO)(CC1)CC2	P19904
O[C@H]1CCC2(CC2)C1	P19906
OCC12CCC(CC1)OC2	P19908
COC1=NC(C)=C(O)C(C)=N1	P19909
CC(C)(C)OC(=O)N[C@@]12CNC[C@@H]1C2	P19918
O=C1C[C@H]2COC[C@@H]2C1	P19920
CC(C)(C)OC(=O)NC1CC(O)(C(=O)O)C1	P19921
OCC1CC2CCC(C1)O2	P19924
OCC12CC(CO)(C1)C2	P19925
O=C(O)C12CCC(C3=CC=CC=C3)(CC1)CC2	P19927
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C	P19930
COC(=O)C1=NC=CC2=C1C=CS2	P19932
CC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)O)C2	P19933
C[C@@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C	P19937
CCOC(=O)CCC1=CC=CC2=CC=CC=C21	D70002
O=C1NC2CCCC12	D70003
CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)O)C1	P19993
Cl.N[C@H](C(=O)O)C12CC(C1)C2	P19994
COC(=O)C1=C2C(C=O)=CNC2=NC=C1	P20338
COC(=O)C1=CN=C2NC=C(C=O)C2=C1	P20341
CC1=CC2=C(C=NC(Cl)=N2)S1	P20389
COC12CC(N)(C1)C2.Cl	P20017
CO[C@H]1CC[C@@H]1N.Cl	P20347
O=C(O)C1=NNC2=C1C=NC=N2	P20350
CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]1CO	P20351
Cl.O=C1NC2=C(C=CC=C2)C12CNC2	P20355
Cl.O=C1NC[C@@H]2CNC[C@H]12	P20361
CC(C)(O)[C@H]1CCC2=C(C1)NC1=C2C(Br)=C(F)C=C1C(N)=O	P20366
CC(C)(O)[C@H]1CCC2=C(C1)NC1=C2C(Br)=C(F)C=C1C(N)=O	P20367
CCNC(=O)C1=CC2=C(N1)C(=O)N(C)C=C2B1OC(C)(C)C(C)(C)O1	P20377
O=C1CC2CC2N1	P20381
Cl.N#CC1CC1N	P20045
ClC1=CN2N=CC=C2C(Cl)=N1	P20383
C[C@H](N)C1=CC2=C(C=CC(Cl)=C2)NC1=O.Cl	P20386
CC(C)(C)OC(=O)N1CC(CO)(CF)C1	P20393
O=C1CC2(C1)CC(=O)C2	P20397
OCC12CC(C3=CC=CC=C3)(C1)C2	P20050
CC1=CNC2=CN=CC(Br)=C12	P20052
CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@H]2C(=O)O	P19999
O=C(O)C1=CNC2=CN=CC(Br)=C21	P20053
CC(C)(C)OC(=O)N1C[C@]2(C)CNC[C@]2(C)C1	P20059
COC(=O)C12CCC(CC=O)(CC1)C2	P20061
COC1=CC(C(F)(F)F)=CN=C1C(=O)O	P20064
Cl.O[C@H]1CNCC1(F)F	P20009
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CN=C(N)C=C1	P20066
OCCC1CC2(COC2)C1	P20067
COC(=O)C1(C2=CC=C(F)C=C2)CNC1.Cl	P20069
O=C(O)C1=NC=C2C=C(F)C(F)=CC2=N1	P20075
O=C(O)C1=NC=C2C=C(F)C=CC2=N1	P20076
CC(=O)C[C@H](C)C(F)(F)F	P20077
CCOC12CC(N)(C1)C2.Cl	P20013
CC(C)C12CC(N)(C1)C2.Cl	P20014
CS(=O)(=O)C12CC(N)(C1)C2	P20015
COC(=O)[C@@]1(C)CC[C@H](N)C1.Cl	P20081
C[C@H]1CCC[C@H](C)N1.Cl	P20082
O=C1CC2(CCC(F)(F)CC2)CN1	P20019
C[C@H]1CNC[C@@H]1C(F)(F)F.Cl	P20020
C[C@H]1CNCC2=C1C=C(Br)C=C2	P20023
ClC1=CC2=C(COC2)C(Cl)=N1	P20030
NCCCC1=CNC2=C1C=C(Cl)C=C2	D70018
CC(C)(N)C1COC1	P20035
O=C(O)CC[C@H]1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2)C2=C(C=CC(/C=C/C3=C(Cl)C=CC=C3C(F)(F)F)=C2)O1	P20036
O=C(O)C1=CC(Br)=C2OC=CC2=C1F	P20038
C=C(CC(=O)OCCCCCCCC)C(=O)O	D70050
O=C(O)C1=CC=C2N=CC(Br)=CN21	D70055
CC1(C)OB(C2=CC=CN=C2Br)OC1(C)C	D71292
CC1=NC(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)=C(CO)N=C1C1=CC=CC(Cl)=C1Cl	D70060
COC1=C(I)C=CC(C(C)C)=C1	D70063
COC(=O)C1CCN(CC[C@@H](CSC2=CC=CC=C2)NC(=O)OC(C)(C)C)CC1.O=C(O)C(=O)O	P20041
CC1=NN(CC(F)(F)F)C=C1NC1=NC(NCC2=CC=C(S(N)(=O)=O)C=C2)=C(Br)C=N1	D70071
C[C@H]1C2=C(C=CC=C2)CCN1C1=C(Cl)C(=O)SS1	D70078
COC1=CC=C(C2=NC(OC[C@@H](O)CO)=C(OC3=C(OC)C=CC=C3)C(NS(=O)(=O)C3=CC=C(C(C)(C)C)C=C3)=N2)C=C1	D70082
CC[C@H](C)NC1=NC(C)=NC2=C(C3=C(C)N=C(OC)C=C3)C(C)=NN12	D70085
CC1=NOC(C)=C1C1=CC=C(C(=O)N2[C@@H](C(=O)O)CS[C@H]2C2=C(Cl)C=CC=C2)C=C1	D70087
N#C/C(=C\C1=CC(O)=C(O)C=C1)C(=O)O	D70090
CCCCCCCCCCCCCCCCNNC(=O)C1=CC=CS1	D70091
CCC(=O)N[C@H]1CC[C@H](N2C(=O)N(C3=C(Cl)C=CC=C3)CC3=C2N=C(NC2=CC(C)=C(N4CCN(C)CC4)C=C2)N=C3)CC1	D70093
CC(C)(C)OC(=O)N1CC2(CCNC[C@@H]2F)C1.Cl	P20425
CC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1	P20428
COC(=O)C1(C2=CN=C(Cl)C([N+](=O)[O-])=C2)CCC1	P20152
Cl.Cl.NCC1=CC(OC(F)(F)F)=NC=C1	AT10028
C[C@@H]1CN[C@@H](CO)CN1C(=O)OC(C)(C)C	AT10033
O=S(=O)([O-])C1=CC=C2C=C(/N=N/C3=C(O)C4=NC=CC=C4C(S(=O)(=O)[O-])=C3)C=CC2=C1.[Na+].[Na+]	D70149
CC1(C)CC(C)(C)C1N.Cl	P20431
Cl.N[C@@H]1CCCC[C@@H]1F	P20239
C[C@]1(C#N)CC[C@H](N)CC1	P20241
CO[C@H]1CCCC[C@H]1N.Cl	P20242
CC1=CN=C(Cl)C=C1C(F)(F)F	P20086
CC(C)(C)OC(=O)N1CC(CO)(C2=CC=C(F)C=C2)C1	P20090
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC2=NC(C(=O)O)=CC=C2C=N1	P20095
CCO[C@H]1C[C@@H]1C(=O)O	P20096
COC(=O)C12CCC(CC1)NC2.Cl	P20097
O=C(O)[C@H]1C[C@H]1C(F)F	P20099
CC(C)(C)OC(=O)NC12CC(CI)(C1)C2	P20111
CNC(=O)C1(N)CS(=O)(=O)C1	P20112
NC(=O)C1(N)CS(=O)(=O)C1	P20113
Cl.N[C@@H]1CCCC[C@@H]1F	P20115
CNC(=O)C1(N)COC1	P20116
CC(C)(C)OC(=O)C12CCC(CC=O)(CC1)C2	P20118
OCCC1=CN=C2C(F)=CC(Br)=CC2=C1	P20120
COC(=O)CC1=CN=C2C(F)=CC(Br)=CC2=C1	P20121
OCC1=CN=C2C(F)=CC(Br)=CC2=C1	P20122
N#CCC1=CN=C2C(F)=CC(Br)=CC2=C1	P20123
Cl.Cl.N[C@H]1CCCC12CCNCC2	P20126
COC(=O)C1CCC(CCO)N(C(=O)OC(C)(C)C)C1	P20128
O=C(O)C1=CN=C2C=C(Cl)C(F)=CC2=N1	P20130
O=C(O)C1=CN=C2C=C(F)C=CC2=N1	P20131
COC1=C(NC2=CC(CN(C)C)=CC=C2)C=CC(C2=CC=CC3=C2OCCO3)=N1	P20133
FC(F)(F)OCC1=CN=C(Br)C=C1	P20134
C[C@H]1CC[C@H](CO)CN1C(=O)OC(C)(C)C	P20137
Cl.NC1=C2NCCCC2=C(F)C=C1	P20146
N#CC1=CC(N2CCOCC2)=C(Br)C=C1	P20148
CO[C@H]1C[C@@H]1N.Cl	P20153
CO[C@H]1C[C@H]1N.Cl	P20154
CO[C@H]1C[C@@H]1N.Cl	P20155
CO[C@H]1C[C@H]1N.Cl	P20156
CC(C)(C)OC(=O)NC12CCC(O)(CC1)C2	P20161
CNC(=O)[C@@]1(C)CC[C@H](N)C1.Cl	P20162
Cl.[2H]C1([2H])N(C(C)=O)C([2H])([2H])C12CCNCC2	P20163
CC(C)(C)[Si](C)(C)OCCC1=CN=C2C(F)=CC(Br)=CC2=C1	P20165
Cl.NCC1=CN=C2C(=C1)C=CN2CC(F)(F)F	P20167
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@H]2O	P20172
CC(C)(C)OC(=O)N[C@H]1CNCCOC1	P20174
C[C@H]1NCCC[C@@H]1NC(=O)OC(C)(C)C	P20176
CC1=C(Br)C=CC(N)=C1O	P20177
CC1=C(C)C2=C(N1)C(C(N)=O)=CC(F)=C2Br	P20179
O=C(O)C1=CC2=C(OC=C2)C(Br)=C1F	P20182
O=S(=O)(Cl)C1=CN2C(Cl)=CN=C2C=C1	P20184
COC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	P20187
CCOC(=O)C1=C2OCCN2N=C1	P20190
O=C1C(Br)=NC(Br)=CN1C1CC1	P20192
N#CCC12CCC(CC1)CC2	P20193
OCC1=CC(Br)=C2C=CN(C(F)(F)F)C2=C1	P20195
CC1=C2N=CC([C@H](C)N)=CC2=CC=C1	P20196
O=C(O)[C@@H]1C[C@@H]1C1=CN=CC=C1	P20201
O=C(OCC1=CC=CC=C1)N1CC2(C1)OCC(CO)CO2	P20207
Cl.O=C(O)[C@@H]1C[C@H]2C[C@H]2N1	P20232
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	P20233
O[C@H]1CCCCC1(F)F	P20251
CCOC(=O)[C@]1(C)CC[C@H](N)CC1	P20252
O[C@H]1CCC(F)(F)C1	P20323
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H](F)C1	P20463
C[C@H]1CCC(=O)CN1.Cl	P20466
C[C@H]1CCC(=O)CN1.Cl	P20467
COC(=O)C12CCC(=O)CC1C2	P20501
CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1O	P20267
Cl.N[C@@H](CC1CCC(F)(F)CC1)C(=O)O	P20276
Cl.NC12CCC(C1)C2	P20285
O=C1CC2CC1C2	P20286
O=C1CC2CC(C1)C2	P20287
O=C(O)[C@@H]1CC[C@@H]1C1=CC=CC=C1	P20289
O=C(O)[C@H]1CC[C@@H]1C1=CC=CC=C1	P20290
O=C(O)[C@H]1CCC12CC2	P20291
NC1(C(=O)O)CC(C(F)(F)F)C1	P20293
O[C@H]1C[C@H](O)C1	P20297
CN(C)[C@H]1C[C@H](N)C1	P20304
NC12CCC(CO)(C1)C2	P20311
COC(=O)C12CCC(N)(C1)C2	P20312
Cl.N[C@@H]1COCC(F)(F)C1	P20313
CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)O	P20315
O[C@H]1CCC(F)(F)C1	P20322
CC1=CC2=C(N=C(Cl)C=C2)N1	P20328
C1CN2CC[C@H](C2)N1.Cl.Cl	P20456
CC(C)(C)OC(=O)N1CC[C@H](N)C12CCCC2	P20521
CC1=C(C(=O)O)C2=C(N=C1)NC=C2	P20333
COC1=C(C(=O)O)C2=C(N=C1)NC=C2	P20334
CC1(C)CNC2=CC(CC3=CC=C(F)C=C3)=C(CO)N=C21	P20376
O=C(O)C12CC(OCC3=CC=CC=C3)(C1)C2	P20398
Cl.FC1CC2CC1CN2	P20400
CN1C[C@@H](C(=O)O)C1=O	P20405
COC(=O)[C@H]1C[C@H](CN)C1.Cl	P20409
C[C@H]1CNCCC12CN(C(=O)OC(C)(C)C)C2	P20410
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1O	P20411
CC1(C)C(=O)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	P20436
CC(C)(C)OC(=O)NCCC1=CN=C(Cl)N=C1	P20442
CC1(C)[C@H]2[C@H](CO)NC[C@H]21	P20447
CC(C)(C)OC(=O)NC1CCC2CNCC2C1	P20469
CCOC(=O)C1(CF)CCC(=O)CC1	P20470
CC(=O)N1C[C@@H]2CNC[C@@H]2C1.Cl	P20523
COC[C@H]1CC[C@@H]1N.Cl	P20526
COC[C@@H]1CC[C@@H]1N.Cl	P20527
NC1=NC=C(C2=NC=CC=C2)S1	P20528
O=C1S[C@H]2C[C@@H]1N(C(=O)OCC1=CC=C([N+](=O)[O-])C=C1)C2	P20478
O=C(O)[C@@H]1[C@H]2CC(F)(F)C[C@H]21	P20479
COC(=O)[C@@H]1CC[C@H](O)C1	P20482
CC12CC(C(=O)O)(CO1)C2	P20488
CC12CC(N)(CO1)C2.Cl	P20489
Cl.Cl.NC12CCCC(N)(C1)C2	P20491
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC12COC2	P20492
O=C1CCC2(CC1)CCC(O)CC2	P20493
OC[C@@]12CCCN1CC(F)(F)C2	P20498
CC1=C2C=CC(Br)=CC2=NC(Cl)=N1	P20504
CNCC1=C(C2=CSC([C@H](C)NC3=NC(C)=NC4=CC(OC)=C(OC)C=C43)=C2)C=CC=C1	P20513
C1CNC2COCC2C1.Cl	P20517
CC1(C)[C@@H](N)C[C@H]1C(=O)O.Cl	P20518
NC1CC(C2=CC=CC(Cl)=C2)C1	P20520
CC(C)(C)OC(=O)N1CCNCC12COC2	P20547
COC1=NN=C(C=O)C=C1	P20548
CN1C=C([C@H](C(=O)O)N(C)C)C=N1	P20557
COC1=CC=NC(C(=O)O)=C1Cl	P20558
O=C(O)C1=CC(Cl)=CO1	P20559
CN1C=C(OCC(=O)O)C=N1	P20561
CN1C=C2C[C@H](C(=O)O)CC2=N1	P20563
C[C@H](C1=CC2=CC=CC=C2C=C1)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	P20668
O=C(O)[C@@H]1CCC2=C(Cl)C=CC=C21	P20568
CC(C)(C)OC(=O)[C@@H]1OC2(CNC2)C2=CN=C(Cl)C=C21	P20741
COC(=O)CSC1=CC(C)=NC2=CC=CC=C21	P20574
N[C@H]1CCC2=CC(F)=CC(F)=C2NC1=O	P20577
CC1=CC=C(S(=O)(=O)OCC2=NN3CCN(C(=O)OC(C)(C)C)CC3=C2)C=C1	P20578
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H](C(F)F)C1	P20582
FC1=C(I)C(N2C=C(C(F)(F)F)N=N2)=CC=C1Cl	P20585
C[C@H]1COCCN1C1=CN=C(N)C=C1	P20591
C[C@H](N)C1=CC=CN=N1	P20592
C[C@H]1CN(C2COC2)CCN1C1=CN=C(NC2=CC(B3OC(C)(C)C(C)(C)O3)=CN(C)C2=O)C=C1	P20600
CC(C)=C[C@@H]1CC(C)=CCO1	P20607
COC1=C(C(=O)O)C(C)=C(Cl)C=C1	P20619
COC1=CC2=CC=CC=C2C(Cl)=N1	P20621
C[C@](N)(CC1=CC2=CC=CC=C2C=C1)C(=O)O	P20623
N[C@H]1CCC2=CC(F)=CC(F)=C2NC1=O	P20625
CN1N=CC2=C1N=CC(Cl)=C2Cl	P20628
CN1C=CC([C@@H](N)CO)=N1.Cl.Cl	P20630
O=C1C[C@@H](C2=CC=C(Br)C=C2)CCN1	P20632
BrC1=CC2=NC=NN2C(Br)=C1	P20634
CN(CCCC1=CC=C(Cl)C=C1)CC1=C(N)C=CC=C1	P20637
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C2C(=O)O	P20646
CC1=CC2=C(C=C1)NC(=O)C21CCNCC1.Cl	P20654
CC1=CC2=C(C=C1)C1(CCNCC1)C(=O)N2.Cl	P20655
CC(C)C1=NNC2=C1CN(C(=O)OC(C)(C)C)CC2	P20658
CC1=NC(C)=C(C)N=C1/C=[N+](\[O-])C(C)(C)C	P20659
CCOC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	P20660
CCOC(=O)C1=C2C=C(C)C(Br)=CN2N=C1	P20661
C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(C=CC(Cl)=C2)NC1=O	P20665
O=C(O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)O	P20666
O=C(O)[C@@H]1CCCCCN1C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	P20754
ClC1=NN=C2C=CC(Br)=CN12	P20759
COC(=O)C1=NC=CC(Cl)=N1	P20760
CC(=O)NC1=NC=CC(C2=C3OCCN3N=C2C2=CC=C(F)C=C2)=C1	P20761
C[C@H]1CCOC2=C(Br)C(C3=CC=C(F)C=C3)=NN21	P20762
CCCC[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)C1=CN=C(N2CCN(C3=CC=CC=C3)CC2)S1	P20787
COC1=CC2=C(C=CC=C2)C(=O)N1	P20791
O=C1NCCN2C1=CC1=C2CCCC1	P20797
O=[N+]([O-])C1=C(F)C2=C(C=C1)NC=C2	P20798
CN(C(=O)OC(C)(C)C)C1=NC=C(C2=NC3=CC=C(O)C=C3C=C2)C=C1	P20800
CN1CC2CCNCC2C1=O	P20801
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](N)[C@@H]1CC2	P20802
C[C@@H](C1=CC2=CC=CC=C2C=C1)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	P20667
COC(=O)C1=CN2C=NN=C2C=N1	P20739
C[C@](N)(CC1=CC2=CC=CC=C2C=C1)C(=O)O	P20746
CC(C)(C)OC(=O)N1CCC2(CC1)CC1=C(C=CC=C1)[C@@H]2N[S@@](=O)C(C)(C)C	P20675
CCOC(=O)C12OC3C[C@@H]1CC[C@@H]2C3	P20678
FC1=CC(I)=NC=C1Br	P20686
FC1=CC(F)=C2NN=CC2=C1	P20689
COC[C@@H]1CC[C@@H]1N.Cl	P20692
CC1=C(Br)C=C2CCNCC2=C1	P20695
CC1=CC(Br)=CC2=C1CCNC2	P20696
FC(F)(F)C1CC(Br)C1	P20701
CC(C)(C)OC(=O)NC12CNC(C1)C2	P20702
COC(=O)C1=NC=C(N)C(C=O)=C1	P20703
Cl.N[C@H]1CC[C@H](CO)OC1	P20704
CCOC(=O)C1=NC=CC(F)=C1N	P20705
NC1=CC2=C(C=C1)CCN(C1CCCC1)CC2	P20710
NC1=CC2=C(C=C1)CC[C@H](N1CCOCC1)CC2	P20711
CC1NC(=O)CC1NC(=O)OC(C)(C)C	P20714
CC(C)(C)OC(=O)N1CC2CC(O)CC(C2)C1	P20716
CN1CCC([C@@](C)(N)CO)CC1	P20718
FC(F)(F)OC1=CN=C(CCl)C=C1	P20722
COC(=O)C1=CC2=C(C=C1)N=C(CCl)N2C[C@H]1CCO1	P20726
C[C@H](O)[C@@H]1CCCN1C	P20727
CC1=NNC=C1C1=CC2=C(S1)C(=O)NC([C@@H]1CC3CCN1CC3)=N2	P20729
Cl.NC1C2CCCC12	P20766
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](N)[C@@H]1CC2	P20771
O=C(N[C@@H](CC1CCC(F)(F)CC1)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	P20775
OC[C@H]1CN(CC2=CC=CC=C2)CCN1CC1=CC=CC=C1	P20776
FC1=CN=C(Cl)C=N1	P20780
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O	P20866
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O	P20867
CC1(C)CC(=O)N[C@@H]1C(=O)O	P20918
C[C@H]1NCC[C@@H]1C(=O)O	P20919
C[C@@H]1C[C@@H](C(=O)O)N1	P20785
CC(C)(C(=O)O)C1=NC=C(Br)C=C1F	P20805
CC(C)(C)OC(=O)NC12CC(S(C)(=O)=O)(C1)C2	P20812
O=C(O)C1CN(C2COC2)C1	P20824
CC1(C)C[C@H](O)CN1CC1=CC=CC=C1	P20915
NC1(C(=O)O)CS(=O)(=O)C1	P20841
C[C@H](OCC1=CC=CC=C1)[C@H](C)OC1=NC=C(C(F)(F)F)C(Cl)=N1	P20848
COC(=O)C1=CC(Br)=C2C=CN(C(F)(F)F)C2=C1	P20850
CC1(C)CC=C(CO)CO1	P20852
COC(=O)C1=CN2C=CN=C2C(C)=C1NC1=C(F)C=C(I)C=C1	P20855
CC(C)(C)OC(=O)N1CCC(CN)C2CC21	P20859
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2O	P20863
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O	P20868
Cl.O=C1COCC12CCNCC2	P20870
C[C@H]1OCC2(CCNCC2)[C@H]1N.Cl.Cl	P20871
CC(C)(C)OC(=O)N1CC[C@@]2(CO2)C(F)(F)C1	P20872
C[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C	P20873
C[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C	P20874
CC(C)(C)OC(=O)N1CCC([C@@H](F)CN)CC1	P20993
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]1C(=O)O	P20994
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	P20995
CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	P20996
CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	P20997
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)CC1(C)C	P20875
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)CC1(C)C	P20876
C[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C	P20877
Cl.N[C@@H](C1CCOCC1)C(F)(F)F	P20879
C[C@H]1CCCC[C@@H]1N.Cl	P20880
C[C@H]1CCCC[C@@H]1N.Cl	P20881
CCOC(=O)C1=C(Cl)N=C(C)C(Br)=N1	P20883
CC(C)(C)OC(=O)N[C@H]1CCNC[C@@H]1CO	P20884
CC(C)(C)OC(=O)NCC12CC(CO)(CO1)C2	P20889
CC(C)(C)OC(=O)N1CC2CCC(N)(C2)C1	P20890
CN1C=C(F)C(Br)=N1	P20893
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1	P20898
CN1CCO[C@H]2CNC[C@@H]21.Cl.Cl	P20903
COC(=O)[C@@H]1OCCC1=O	P20904
CC(C)(C)OC(=O)N1CCN2N=CC(B3OC(C)(C)C(C)(C)O3)=C2C1	P20907
C[C@H]1C[C@H](CO)CN1C(=O)OC(C)(C)C	P20908
O=C1CNC2(CCCC2)CN1	P20910
N#CC1CC2(CCNCC2)C1	P20974
CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC(C1)C2	P20977
CC(C)(C)OC(=O)N[C@H]1CC[C@@]1(F)C(=O)O	P20978
CC(C)(C)OC(=O)N[C@H]1CC[C@@]1(F)C(=O)O	P20979
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@H]2C1	P20985
CC(C)(C)OC(=O)N1C[C@H](C(F)F)[C@@H](N)C1	P20986
CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	P20998
Cl.NCC1=NN=C(C(F)(F)F)C=C1	P21016
Cl.F[C@@H]1CNC[C@H](F)C1	P21018
Cl.F[C@@H]1CNC[C@@H](F)C1	P21019
CC(C)(C)OC(=O)N1C[C@H](O)C(F)(F)C1	P21024
CC(C)(C)OC(=O)N1CC2CC1CC2CN	P21026
CC1(C)OB(C2CC(F)(F)C2)OC1(C)C	P20937
CC1(C)OB(C23CC(C2)C3)OC1(C)C	P20938
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO	P20940
COC12CCC(C(=O)O)(CC1)CC2	P20942
COC12CC(CO)(C1)C2	P20943
CN1N=C(C(=O)O)C2=C1C=NC=C2	P20944
O=C(O)C12CC(C(F)F)(C1)C2	P20945
CN1N=NC2=C1C=CC(B1OC(C)(C)C(C)(C)O1)=C2	P20947
O=C1CCC2(CC2)C1	P20949
Cl.N[C@H]1CC[C@@H]1O	P20951
Cl.N[C@H]1CC[C@@H]1O	P20952
Cl.O=C(O)[C@@H]1CCCCCN1	P20954
O=C(O)C1=CC2=C(N=CC=N2)N1	P20955
C[C@@]1(C(=O)O)CCCO1	P20957
OCC1CCC1O	P20965
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	P20969
C[C@@H]1[C@@H](C(=O)O)CCCN1C(=O)OC(C)(C)C	P20970
CC(C)(C)OC(=O)N[C@H]1CCC12CC(N)C2	P21000
CC1(NC(=O)OC(C)(C)C)CC2CCC(C1)N2	P21147
O=C(O)C12CC(Br)(C1)C2	P21148
COC(=O)CC12CC(N)(C1)C2	P21149
CC(C)(C)OC(=O)N1C2CCC1(C(=O)O)CC2=O	P21152
C[C@H](C1=CC=CC=C1)N1C[C@H](N)C(C)(C)C1=O	P21154
Cl.N=C(N)C1CC(F)(F)C1	P21001
CC(C)(C)OC(=O)N1CC(F)(F)C2(CNC2)C1	P21004
CC(C)(C)OC(=O)N1CC[C@@]2(C1)NCC2(F)F	P21005
OCC12CC(Br)(C1)C2	P21088
COC(=O)C12CC(C)(C1)C2	P21090
CC(C)(C)OC(=O)N1CC[C@@]2(C1)NCC2(F)F	P21007
CC(C)(C)OC(=O)N1CCC2(CC1)NCC2(F)F	P21008
FC1(F)CCC2(CCNCC2)C1	P21012
CCOC(=O)[C@H]1CCC(=O)CC12CC2	P21014
COC(=O)C1C2CNCC1COC2.Cl	P21042
O=C1N[C@@H](C(=O)O)C[C@@H]1F	P21044
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC(F)(F)C1	P21047
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC(F)(F)C1	P21048
CO[C@H]1C[C@H](N)CN(C(=O)OC(C)(C)C)C1	P21054
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](N)C1	P21055
C[C@H]1C[C@H](N)CN(C(=O)OC(C)(C)C)C1	P21056
O=C(O)C1=NC2=C(C=CN2)N=C1	P21028
Cl.OC1CCC12CCNC2	P21029
CN1C(=O)CCC12CCNCC2.Cl	P21030
NC1=CC(Br)=CN=N1	P21037
N[C@H]1CC12CCN(C(=O)OCC1=CC=CC=C1)CC2	P21107
C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)OC(C)(C)C	P21109
CC(C)(C)OC(=O)NC12CCC(CO)(CC1)OC2	P21111
O=C1C[C@@H]2COC[C@@H]2C1	P21060
O=C1CC2(C1)CC(O)C2	P21061
C[C@H]1NCC[C@@H]1O.Cl	P21062
CN1N=CC2=C(C(=O)O)C=CC(F)=C21	P21063
CO[C@H]1CCNC[C@H]1NC(=O)OC(C)(C)C.O=C(O)C(=O)O	P21064
O=C(O)[C@H]1NCC[C@H]1F	P21065
Cl.N[C@H]1CC1(F)F	P21069
CC(C)(C)OC(=O)N1CCC2NCC(F)(F)C2C1	P21070
CC(C)(C)OC(=O)N1CCC2C(C1)NCC2(F)F	P21071
FC1=CN=C(Cl)C2=C1NN=C2	P21072
CN1CC(F)(CO)C1	P21075
CC1(C)OB(C2=CN(C[C@H]3CCO3)N=C2)OC1(C)C	P21078
NCC1(O)CC(F)(F)C1	P21079
NC[C@H]1CCO1	P21081
FC12CC(CBr)(C1)C2	P21082
CC(C)(C)OC(=O)C12CC(CO)(C1)C2	P21085
NC(=O)C12CC(F)(C1)C2	P21086
C[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	P21098
OCCC1=CC(F)=CN=C1	P21101
NCCC1=CC(F)=CN=C1	P21102
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NC(Cl)=N1	P21114
Cl.OC[C@H]1CNCC1(F)F	P21116
N[C@@H]1COCC[C@@H]1O	P21118
Cl.N[C@@H]1COCC[C@@H]1O	P21119
COC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1	P21122
CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H](F)C1	P21124
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N	P21125
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	P21126
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	P21127
CC(C)(C)OC(=O)N[C@H]1CNCCC1(F)F	P21128
CC(C)(C)OC(=O)N[C@H]1CNCCC1(F)F	P21129
NCCCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F	AT18336
O=C(OCC1=CC=CC=C1)N1CC[C@H](S(=O)(=O)Cl)C1	AT10053
Cl.N#CC1CCNCC1F	P21139
C[C@H]1CNCC[C@@H]1O	P21141
CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](F)C1	P21145
NCC1=CC(OC(F)F)=NC=C1	AT10039
O=C(O)C1CC(C(F)F)C1	AT10380
O=C(O)[C@H]1C[C@@H](C(F)(F)F)C1	AT10381
O=C(O)[C@H]1C[C@H](C(F)(F)F)C1	AT10382
Cl.NC1CC(C(F)F)C1	AT10383
CC(=O)C1=CC(F)=CN=C1F	AT10058
CC1(C)OB(C2=CC=CC(NS(=O)(=O)N3CCOCC3)=C2)OC1(C)C	AT16533
COC1=CC(C(F)(F)F)=C(Br)C=N1	AT10169
O=C1COC[C@H](CO)N1	AT10102
CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)O	AT10180
CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@@H](N)C1	AT10185
CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)[C@@H](N)C1	AT10187
NC1=C(C2CC2)C=CC(Br)=N1	AT10206
CC(C)(C)OC(=O)N1CC2(C[C@H](N)CO2)C1	AT10229
OC1=C(C2=C(O)C=C(I)C=C2)C=CC(I)=C1	AT10242
CC(=O)NC1=CC(F)=C(B2OC(C)(C)C(C)(C)O2)C=C1	AT10246
CC(=O)NC1=CC(Cl)=C(B2OC(C)(C)C(C)(C)O2)C=C1	AT10247
COC(=O)C1=C(CN)SC=C1.Cl	AT10257
CCOC(=O)C1=C(C)NC(=O)C=C1C	AT10264
C1CN[C@H](C2CC2)CN1.Cl.Cl	AT10268
CC(C)(C)OC(=O)NCCCCCCCCCCBr	AT10273
CC(C)(C)OC(=O)N1CCN[C@H](C(C)(C)C)C1	AT10275
COC1=C(N)C=CC(Br)=C1F	AT10284
CCCCCCCCC[N+](=O)[O-]	AT10296
C[C@]1(O)CCCNC1.Cl	AT10307
O=C(C1=CNC2=NC=NC(N[C@H]3CC[C@H](CO)OC3)=C12)C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1	AT10312
CC1=CC2=C(C=C1)SC=N2	AT10317
CC1=C(Br)C=NC(C(C)(C)O[Si](C)(C)C)=C1	AT10337
CC1=CC(C(C)(C)O[Si](C)(C)C)=NC=C1B1OC(C)(C)C(C)(C)O1	AT10338
O=C1NCCN2C=C(Br)N=C12	AT10377
CC(C)(O)CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	AT10397
NC1CCC2(CC1)COC2	AT10523
O=C1NCC2CC12	AT10538
O=C1CC2(CCOC2)C1	AT10549
CC(C)(C)OC(=O)N1CCN[C@@H](CC#N)C1	AT10424
CC(C)(C)C1=C(N2CCCC2)C=CC(C2=C(OCCO)C=CC(C3=CC=C(C(=O)O)C=C3)=C2)=C1	AT10456
O=C1CCC2(COC2)C1	AT10514
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)O	AT10517
CC(C)(C)OC(=O)N1C[C@@H](N)CC12COC2	AT10558
CCOP(=O)(OCC)C(F)(F)C1=CC2=C(C=C1)NC(C(=O)O)=C2	AT10736
COC(=O)C1=C2CCCCC2=C(N)C=C1	AT10617
CC(C)(C)OC(=O)N1CC2(C[C@H](O)CO2)C1	AT10638
CC(C)(C)OC(=O)N1CC2(C[C@H](O)CO2)C1	AT10639
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1.Cl	AT10656
ClC1=NC(C2CC2)=CN=C1	AT10664
COC(=O)C1=CC=CC(I)=C1O	AT10729
Cl.N[C@@H]1CCC[C@H](O)C1	AT10758
CC(C)(C)OC(=O)N1CCC2C(=O)NCCC2C1	AT10776
BrC1=CC=C2C(I)=CC=CC2=C1	AT10842
O=CC1=C2C=CC=C(Br)C2=CC=C1	AT10844
CC(C)(C)OC(=O)N1CCC2(C(=O)O)CC1C2	AT10978
COC(=O)C[C@H](S)C(=O)OC	AT10932
O[C@H]1CC[C@H]1O	AT10951
CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC=C4C(CCNC(C)C)=C3CN1C2=O.Cl	D70217
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CCC1(C)C	D70473
CC1=NC=C2C=C(Br)C=CN21	D70563
COC(=O)C1=NC(Cl)=CC(Cl)=N1	D70620
O=C1CC[C@H](NC(=O)CC2=CC=CC=C2)C(=O)N1	D70661
OC1=CC2=C(CC(O)C(C3=CC(O)=C(O)C=C3)O2)C(O)=C1	D70844
OB(O)C1=CN=C(OC(F)F)C=C1	D70785
CC1=CN=C(C#N)C(Cl)=N1	D70692
CC1(C)C(=O)NC2=C1C=CC([N+](=O)[O-])=C2	D70703
NC1=CC(F)=C(F)C(C(=O)O)=C1	D70727
COC1=CC(F)=CN=C1N	D70750
O=C(O)C1=NC(C2=CC=CC=C2)=NC=C1	D70751
ClC1=C(I)C=CC=C1Br	D70758
CCN1CCN(CC2=C(C(F)(F)F)C=C(NC(=O)C3=CC(OC4=C5C=CNC5=NC=C4)=C(C)C=C3)C=C2)CC1	D70760
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)CC1=C(F)C=C(F)C=C1	D70808
CS(=O)(=O)C1=NC=CC(Br)=C1	D70863
NC1=C(F)C(F)=CC=N1	D70938
N[C@@H](C(=O)O)C1=CC=C(C(=O)O)C=C1	D70943
N#CC1=CC(N)=C(C#N)C=C1N	D70976
O=C(O)CCCCCCCCCCCCCCCS	D70988
CCC1=C(C(=O)NNC(=O)[C@H](O)C2=CC(F)=CC(F)=C2)C=CC(O)=C1C	D71037
CCOC(=O)[C@]1(CCCCCCOC2=CC=C(Cl)C=C2)CO1	D71040
CC1(CCCNC(=O)NCCCC[C@H](N)C(=O)O)N=N1	D71042
CC1=C(B(O)O)C=NC2=CC=CC=C21	D71141
CCOC(=O)C1=CC2=C(C=CC=C2)N1S(=O)(=O)C1=CC=C(C)C=C1	D71151
C=CC1=CC=CC(NC2=C3C=C(NC(=O)N4CCN(CC)CC4)C(OC)=CC3=NC=N2)=C1	D71153
CNC(=O)CCC1=CC(C2=CC=C(C3=CC=C(C(F)(F)F)C=C3)C=C2)=NN1C1=CC=C(N2CCNCC2)C=C1	D71155
CC(C)CSC[C@@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H](O)[C@H]1O	D71046
N#C[C@H](C1=NC(OCC2=CC=C(CN3CCOCC3)C=C2)=NC=C1)C1=NC2=C(C=CC=C2)S1	D71048
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	D71054
O=C(O)C1=CC=C2C3=CC=CC4=CC=CC(=C43)C3=C2C1=CC=C3	D71080
CC1=C(CN2CCN(C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](CC3=CC=CC=C3)C2=O)N=CN1	D71179
COC1=CC(OC)=C([N+](=O)[O-])C(OC)=C1	D71103
N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	D71119
COC1=CC2=C(C=C1)O[C@H](C(=O)O)CC2	D71140
CNC(=O)C1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1	D71303
NC1=CC(C(F)(F)F)=CC2=CC=CN=C12	D71268
CC(C)(C)OC(=O)N1CC2C(C1)C2N(CC1=CC=CC=C1)CC1=CC=CC=C1	D71278
ClC1=C2C=CC(Br)=NC2=CC=C1	D71280
FC(F)(F)C1=CC=CC2=CC=NC=C21	D71283
OC1=NC2=C(C=CN=C2Cl)N1	AC7888
COC1=C(CC(=O)C2=CC=CC=C2)C=CC([N+](=O)[O-])=C1	AC8007
O=CC1=CC=C(C(C2=CC=C(C=O)C=C2)(C2=CC=C(C=O)C=C2)C2=CC=C(C=O)C=C2)C=C1	AC8057
O=C(O)[C@H]1C[C@@H]1C1=CC=C(Cl)C=C1	AC8131
O=C(O)CCC1=CNC2=C1C=CC(Br)=C2	AC8138
CC1(C)CC(Cl)=NO1	AC8145
COC1=CNC(C(=O)O)=C1	AC8161
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](F)[C@H]1C(=O)O	AC8165
CN1C=CC(I)=C(F)C1=O	AC8182
CC(C)(C#N)CBr	AC8195
CN[C@@H](CS)C(=O)O.Cl	AC8363
C1CC2(C1)CO2	AC8443
COC(=O)C1=C(Br)CCCC1	AC8446
COC1=CC(=O)NC(Cl)=C1	AC8282
COCC1=NNC=C1	AC8210
CC(=O)N[C@@H](CC1=CC=CC=C1)CN(C)C	AC8219
CC(C)(C)OC(=O)NCC1=C(F)C=CC(C(=O)O)=C1	AC8221
OCC1=C(Br)C=NC=N1	AC8251
C#CC1=CN(C(F)F)N=C1	AC8270
COC1=CC(N2CCN(C)CC2)=C(F)C=C1N	AC8288
COC1=C(C(=O)CC(F)(F)F)C=CC=C1	AC8292
C1=CN=C(OCC2CCNCC2)N=C1	AC8323
C1=CC2=C(C=C1)OC(OCC1CCNCC1)=N2	AC8514
C1=CC=C(C2=NC(C3CC3)=CN2)C=C1	AC8339
COC1=CC=C(C2=C(OC)C=CC3=CC=CC=C32)C(OC)=C1P(C1CCCCC1)C1CCCCC1	AC8345
C1=CN=C(C[C@H]2CCCNC2)N=C1	AC8356
CCC1=C(O)C=C2C(=C1)N=C1C3=CC4=C(COC(=O)[C@]4(O)CC)C(=O)N3CC1=C2CC	AC8365
O=C(O)C1=CC(Cl)=NC(F)=C1	AC8374
O=CC1=CN=C(Cl)C=C1F	AC8394
O=C(O)CC12CC(C(F)(F)F)(C1)C2	AC8396
C1=CN=C(CC2CCNCC2)N=C1	AC8410
Cl.NS(=O)(=O)NCCC1CCNCC1	AC8421
CCOC(=O)C1=CC2=CC(Cl)=CC(C)=C2N1	AC8455
CCCCCC(=O)/C=C/C(=O)OCC	AC8468
NC1=CC=C(C2=NN=C(S)O2)C=C1	AC8501
C#CC1=CC=CC2=CC=CC(C#C)=C12	AC8504
CN1CCNC1	AC8535
COC1=C(C)C=CC(OC2=NC=C(N)C=C2)=C1	AC8628
[BH3-]C1=CCCC[C@@H]1C.[H+]C(C)(C)C(C)(C)O	AC8574
CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)C2=NC=NC3=C2C=CN3)C1	AC8575
[BH3-]C1=CCCCC1(C)C.[H+]C(C)(C)C(C)(C)O	AC8579
COC1=CNC(C2=CC=CC=C2)=N1	AC8580
CC1=C(Cl)C=C(Cl)C=C1N	AC8599
O=C(O)C1=C2C(=O)CCCC2=CC=C1	AC8616
COC(=O)NCCC1=CC(Br)=C(OC)C=C1	AC8623
C1=CN=C(NCC2CCNCC2)N=C1	AC8624
CC1=C([N+](=O)[O-])C=C(C2=NC3=C4C(=O)NC(=O)C(C)(C)C4=CC(Br)=C3N2)C=C1	AC8625
O=CC1=C(Cl)C=C(C(F)(F)F)N=C1	AC8649
CC1=NC(N)=CS1.Cl	AC8716
COC(=O)C1=C(OC)N=C(C#N)C=C1	AC8740
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)O)C1	AC8831
CC(C)(C)OC(=O)N[C@@H](CO)C[C@H]1CCNC1=O	AC8844
Cl.NC1(C2=C(C(F)(F)F)C=CC=C2)CC1	AC8678
C[C@@H](C1=CC=CC=C1)N([C@@H](C)C1=CC=CC=C1)P1OC2=C(C3=CC=CC=C3C=C2)C2=C(C=CC3=CC=CC=C32)O1	AC8684
COC(=O)CCCCC(F)(F)C(=O)OC	AC8706
CCOC(=O)[C@@]1(F)CCCCC1=O	AC8744
OB(O)C1=CC(O)=CC2=CC=CC=C21	AC8757
CC1=NC(Cl)=NC(C)=C1F	AC8759
CC(C)(C)N1N=NN=C1S(C)(=O)=O	AC8781
CN1C(=O)C=C(Br)C=C1Cl	AC8785
CC(C)(C)OC(=O)NC1CCC(S)CC1	AC8792
CCN(CC)CC1=C(O)C=C(NC2=C3C=CC(Cl)=CC3=NC=C2)C=C1	AC8916
CCOC(=O)C1CCC2(CC1)CC2(F)F	AC8828
CCOC(=O)[C@H](F)C1=CC=CS1	AC9181
CC(C)(C)OC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)OCC1=CC=CC=C1)(COCCC(=O)NCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	AC8953
CCN1C=C(N)N=N1	AC8955
CC1(C)CC2=C(C=C(Br)C=C2)[C@@H](N)C1	AC8876
CN1N=C(OCC2=CC=CC=C2)C=C1N	AC8896
CN(C)CC1=NC=C(CN)C=C1	AC8899
OCC(CO)CCOCC1=CC=CC=C1	AC8915
CCOC(=O)C1=CC2=C(CCC(F)(F)C2)N1	AC8923
O=P1(O)OC2=C(C3=C(C=C2C2=CC=CC=C2)CCCC3)C2=C(O1)C(C1=CC=CC=C1)=CC1=C2CCCC1	AC8938
O=C(O)C1=CC(C(F)(F)F)=C(CBr)C=C1	AC8971
O=C(O)C1=CC(C(F)(F)F)=C(CN2CCOCC2)C=C1	AC9077
COC1=CC2=C(C=C1N)N(C)C(=O)CO2	AC9084
N#CC1=C(N)C=C(C2CC2)C=C1	AC9178
O=C(O)C1=CC(C(F)(F)F)=C(C2=CSC=C2)C=C1	AC8991
C=CC[C@H](O)C(=O)OCC	AC9119
COC1=CC2=CC(N)=CC=C2N=C1	AC9121
CC(C)(C)OC(=O)C=C1CN(C(=O)OC(C)(C)C)C1	AC9041
NC1=CN(C2CC2)N=N1	AC9043
N#CC1=CC(CN)=CC(F)=C1	AC9055
COC1=C(OCCNC[C@H](O)COC2=C3C(=CC=C2)NC2=C3C=CC=C2)C=CC=C1	AC9072
CC1=CC=C(N)C(C)=C1I	AC9073
C1=CN(CC2CCNCC2)C=N1	AC9094
CCNC(=O)C1=CC2=C(N1)C(=O)N(C)C=C2Br	AC9316
COC(=O)[C@@H](N)CC1=CC(C(C)=O)=C(O)C=C1.Cl	AC9157
CC1=C(F)C=C(B(O)O)C=C1F	AC9163
COC(=O)[C@@H]1C[C@H](N)CN1C(=O)OCC1=CC=CC=C1.Cl	AC9170
C#CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	AC9287
COC(=O)C1=CC2=C(C=C1)SC(CBr)=N2	AC9276
NCC1CCC(N2CCOCC2)CC1	AC9302
NC1=CN=C(Cl)C=C1C(=O)C1CC1	AC9229
C[C@@H](C(=O)O)C1=COC=C1	AC9306
CCOC(=O)CCCCCCCl	AC9325
NC1=C(C2=C(Cl)C=CC=C2)C2=C(C=CC([N+](=O)[O-])=C2)NC1=O	AC9326
CC1=C(Cl)C=NN=C1Cl	AC9348
COC1=C(O)C=C2C(Cl)=CC=NC2=C1	AC9481
O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NC(=O)OCC1=CC=CC=C1	AC9388
CC(=O)OC[C@H]1CC[C@H]1CO	AC9458
C=CC(=O)C(=O)O	AC9460
CN1C=C(C2=C(N)C=CC=C2)C=N1	AC9474
O=C(NC1=CC=C(C2=NC=CN2)C=C1)C1CC1	AC9475
NC1=NC=C2CCCOC2=N1	AC9484
COC1=C(OC)C=C2C(=C1)CCN1C[C@H](CC(C)C)[C@@H](O)C[C@@H]21	AC9494
CCOC(=O)C1=NC2=C(C=CC(Cl)=C2Br)N1	AC9496
[BH3-]C1=CC(C)=C(C(=O)N(C)C)C=C1.[H+]C(C)(C)C(C)(C)O	AC9499
CN1C=C(F)C(Br)=CC1=O	AC9530
CCCCCC1OC1CC1OC1CCCCCCCC(=O)O	AC9536
CC1=C2C(=CC=C1)C=CC=C2B(O)O	AC9544
CCOC(=O)C1=CC2=C(CCC2)N1	AC9548
CCCC1=NC=C(C(=O)O)C=C1	AC9553
NC1=C(C2CC2)C=C(C(F)(F)F)C=C1	AC9573
C#CC1=CNC(C2=CC=CC=C2)=N1	AC9580
COCOC1=CC2=CC=CC=C2C(Br)=C1	AC9581
C1=CC2=C(C=C(N3CCNCC3)C=C2)S1	AC9600
CSC1=NC(O)=C(C)C=N1	AC9786
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1C(=O)O	AC9608
O=C(O)C1=C2C(Cl)=CC=CC2=CC=C1	AC9611
CC(C)(O)C1=C(Br)CCCC1	AC9613
COC(=O)C1=CC2=C(N=C(N)S2)C(OC)=C1	AC9617
COC(=O)C1=CC2=C(N=C(N)S2)C(F)=C1	AC9632
CC(C)(C)N(CO)CO	AC9634
COC1=CC2=C(C=C1N)OCO2	AC9649
COC(=O)C1(CCO)CC1	AC9694
CC1=C(Br)C=C(O)N=C1	AC9697
CC1=NC2=C(F)C=C(C3=C(F)C=NC(NC4=NC=C(CN5CCNCC5)C=C4)=N3)C=C2N1C(C)C	AC9699
O=C(O)C1=CC(CC2=CC(C(=O)O)=CC(C(=O)O)=C2)=CC(C(=O)O)=C1	AC9718
OC1=CC2=NC=CC(C3=C4CCCN4N=C3C3=NC=CC=C3)=C2C=C1	AC9730
C1=CC(NCC2CCNCC2)=CC=N1	AC9740
O=C(O)[C@H]1C[C@@H]1C1=CC=C(F)C=C1	AC9772
NC[C@H]1COC2=C(C=CC=C2)O1	AC9796
Cl.NC1=CC2=C3C=C(N)C(N)=CC3=C3C=C(N)C(N)=CC3=C2C=C1N	AC9808
O=C1NC=CC(I)=C1F	AC9810
CCN1CCN(CC2=C(C(F)(F)F)C=C(C(=O)O)C=C2)CC1.Cl	AC9824
C[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C	AC9828
CC1=CC(=O)N(C)C=C1Br	AC9836
CC1=CC(C2=CC=CC=C2)=CN1C	AC9837
CN1C=NC(Br)=CC1=O	AC9854
C/C=C(/C=O)CC	AC9866
OB(O)C1=C(Br)C=C(F)C=C1	D71630
COC1=C(B(O)O)C=CC(Br)=N1	D71679
CC(C)OC1=NC=CC(B(O)O)=C1	D71737
CC(C)OC1=C(C(F)(F)F)C=C(B(O)O)C=C1	D71749
CSC1=CC=C(B(O)O)S1	D71754
OB(O)C1=CC(C2=CC=NC=C2)=CC=C1	D71840
CC1=C2NN=CC2=CC(B2OC(C)(C)C(C)(C)O2)=C1	D71837
CC1(C)OB(C2=CC(Br)=C(F)C=C2)OC1(C)C	D71887
COC(=O)[C@H]1CC[C@@H](COC(C2=CC=CC=C2)C2=CC=CC=C2)NC1	AT11046
CC(C)C1=NC=NC(C(C)C)=C1N	AT11114
CC(C)(C)OC(=O)N1CCC(CCCCCO)CC1	AT11248
CC(C)(C)OC(=O)N1C=CC(B2OC(C)(C)C(C)(C)O2)=N1	AT11249
CN(CCCCC=O)C(=O)OC(C)(C)C	AT11142
C[C@H](O)C1=C(Cl)N=C(Cl)N=C1Cl	AT11161
CC(C)(C)OC(=O)CCCCCCCO	AT11174
Cl.Cl.NC1=CC(OC(F)F)=CN=C1	AT11176
O=C(O)CC1=C(Cl)C=CC=N1	AT11209
Cl.FC[C@H]1CNCCN1	AT11399
CC(C)(C)OC(=O)NC1CCC1C(=O)O	AT11422
Cl.N[C@H]1CC1(F)F	AT11299
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N)=NC=NN32)[C@H](O)[C@@H]1O)OC1=CC=CC=C1	AT11308
CC(C)(C)OC(=O)N1CCN2CC(=O)C[C@H]2C1	AT11364
CCOC(=O)C1=CN=C2CNCCN12	AT11367
C[C@H](O)C1=CC(F)=CC(F)=C1	AT11381
C[C@H](O)C1=CC(F)=CC(F)=C1	AT11382
Cl.NC1CCC(F)CC1	AT11407
O=C(O)/C=C/CO	AT11505
C1OCC12CO2	AT11436
COC1=C(OC)C=C(CC[C@H](O)C2=CC=CC(OCC(=O)OC(C)(C)C)=C2)C=C1	AT11515
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O)C1=CC(OC)=C(OC)C(OC)=C1	AT11519
C1=CN=C(C2=CC=C(CNCCNCC3=CC=C(C4=NC=CC=C4)C=C3)C=C2)C=C1	AT11446
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1CCCCC1)N(C)C(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	AT11461
O=C1CC[C@H](N2CC3=C(Br)C=CC=C3C2=O)C(=O)N1	AT11478
O=C(O)C1CC2(C1)CC2(F)F	AT11644
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)Cl	AT11554
Cl.FC1(F)CC2(CCNC2)C1	AT11703
CN[C@H]1C[C@@H](NC(=O)OCC2=CC=CC=C2)C1	AT11668
OC1CC2(C1)CC2(F)F	AT11745
C[C@H](N)CC(F)(F)F.Cl	AT11792
CC(C)(C)OC(=O)N1CC2CC1(CO)C2	AT11720
Cl.Cl.N=C(N)C1=CC=CC(C(=N)N)=N1	AT11798
CC1(CN)N=N1.Cl	AT11950
CC1(C)OB(C2=CC=CC(NS(=O)(=O)C3CC3)=C2)OC1(C)C	AT16536
CC(C)(C)OC(=O)/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	D71913
O=C(O)CCCCCOCCOCCOCCCCCCCl	D71945
NC1=C(B(O)O)C=C(F)C=C1	D72142
CCOC(=O)C1=COC2=C1C=CC(F)=C2	D72179
CCOC(=O)C1(Br)CCN(C(=O)OC(C)(C)C)CC1	D72320
CC1=CC2=C(C=NN2[C@@H]2CCCCO2)C(Br)=C1C	D72323
NC1=NON=C1[N+](=O)[O-]	D72135
Cl.O=C(OCC1=CC=CC=C1)N1CCNC2(CC2)C1	D72136
OC1CC(COCC2=CC=CC=C2)C1	D72137
CCC[S@](=O)C1=NC(Cl)=C(N)C(Cl)=N1	D72392
CC(C)[C@@H]1COC(C2=N[C@H](C(C)C)CO2)=N1	D72089
ClC1=C2C=C(Br)N=CC2=CC=C1	D72092
CCOC(=O)C1=C([C@H](O)C2=CC=C(Cl)C=C2)N(C(C)C)C(Br)=N1	D72093
CC1=C(C(=O)O)C=CN=C1Br	D72094
O=C1NC(=O)N([C@@H]2CC[C@H](CO)O2)C=C1I	D72098
CN1C2=C(C=CC(Br)=C2)NS1(=O)=O	D72104
CC1=CC=C2C3=CC=CC(C4=NC=CC=C4)=C3OC2=N1	D72107
Cl.FC(F)(F)C1=NC2=C(C=C1)CNC2	D72112
CCOC(=O)C1=CN(C(C)C)C(Br)=N1	D72119
COC(=O)C1=CC(CO)=CN1	D72120
O=C1C2=C(C=CC=C2)C=NN1C1=CC=CC=C1	D72122
CCOC(=O)C1=C(OCC2=CC=CC=C2)C(=O)C=CN1NC(=O)OC(C)(C)C	D72128
C=CCOC1=CC(C(=O)OC)=CC(C(=O)OC)=C1	D72129
C=CC[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C	D72133
CC1(C)OB(C2=CC=C(P(C)(C)=O)C=C2)OC1(C)C	D72134
CC1=C(B2OC(C)(C)C(C)(C)O2)C=CC=C1C#N	D72138
COC(=O)C1=CC2=C(C=C1)CCO2	D72144
C1=CN2CCN=C2N1	D72150
Cl.NCC1=NC=C(Cl)N=C1Cl	D72151
OB(O)C1=CC=C(OC2(B(O)O)=CC=C(B(O)O)C=C2)(B(O)O)C=C1	D72152
CC(C)(C)OC(=O)N1CCN2C(=NC(Br)=C2Br)C1	D72153
O=C(O)C(F)(F)C1=CC2=CC=CN=C2C=C1	D72154
CC(=O)C1=C(O)C=C(C(=O)O)C=C1	D72155
CC(C)(C)OC(=O)N1CC(N2N=C(I)C3=C(N)N=CN=C32)C1	D72156
CCOC(=O)CC1CCC(C2=CC=C(C(=O)C(C)(C)Br)C=C2)CC1	D72159
CCOCCC1=NC=CC=C1	D72160
CC(C)OCCC1=NC=CC=C1	D72165
C[C@H](O)C1=CC=C(C(F)(F)F)C=C1	D72168
CSC1=NC(=O)C2=CC(C(F)(F)F)=CC([N+](=O)[O-])=C2S1	D72173
CCC1=C(F)C=NC(Cl)=N1	D72178
C[Si]1(C)CNC(=O)C2=C1C=CC=C2	D72266
FC(F)(F)C1=NNC2=CC(Cl)=NC=C21	D72268
Cl.O=C(CCl)C1=CNC2=C1C=CC=N2	D72270
CN1C(=O)[C@@H](N)COC2=C1C=CC=C2	D72271
Cl.NC12CCC(NC(=O)OCC3=CC=CC=C3)(C1)C2	D72272
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@@H](N)C1	D72184
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2O	D72187
ClC1=CC2=C(C=CN2)N=C1Cl	D72191
NC1=NC(=O)C(Br)=C(Cl)N1	D72192
CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C(O)=C1	D72200
CC1=CC2=C(N=C1)NC=C2[N+](=O)[O-]	D72207
O=C(O)CCCN1CCC(O[C@@H](C2=CC=C(Cl)C=C2)C2=NC=CC=C2)CC1	D72208
O[C@H]1CCC2=C1C=CC=C2	D72211
CN1C=NC2=C1C=C(C(=O)O)C(NC1=C(F)C=C(Br)C=C1)=C2F	D72212
CC1=C(Br)C=CC2=C1N=NN2C	D72222
CC(C)(C)OC(=O)N1CC2(CCNC2)C1.O=C(O)C(=O)O	D72223
CC1=C(C(=O)O)C2=C(C=C1)NN=C2	D72224
CCOC(=O)C(C)(C)CC1=C(SC(C)(C)C)C2=C(C=CC(OC)=C2)N1CC1=CC=C(Cl)C=C1	D72238
CCOC(=O)C1=CC2=C(C=CC([C@H]3CCOC(C)(C)C3)=C2)N1	D72240
N#CC1=CC(Br)=CC(C#N)=C1F	D72242
CCOC(=O)C(C)(C)CC1=C(SC(C)(C)C)C2=C(C=CC(O)=C2)N1CC1=CC=C(Cl)C=C1	D72246
COC(=O)C1=C2C=CC(Br)=CC2=NN1C	D72251
O=[N+]([O-])C1=CC(F)=C(OC2=CC=C(Cl)C=C2)C(F)=C1	D72252
O[C@H](C1=CC(Br)=CN=C1)C(F)(F)F	D72253
CCOC(=O)[C@@H]1CC[C@@H](NOCC2=CC=CC=C2)CN1	D72261
N[C@H](CS)S(=O)O.O	D72263
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)O[C@H](C)P2C(C)(C)C	D72280
CC(C)(C)P1COC2=CC=CC(N3C(C4=CC=CC=C4)=CC=C3C3=CC=CC=C3)=C21	D72281
CC(C)(C)P1COC2=CC=CC(N3C(C4=CC=CC=C4)=CC=C3C3=CC=CC=C3)=C21	D72282
CC(C)(C)OC(=O)N1CC2CCCC2(C(=O)O)C1	D72283
COC1=CC2=C(C=C1)NC1=C2C=CN=C1C	D72284
CC(C)(C)[C@@H]1CN2C[C@@H](C(C)(C)C)NC2=N1	D72374
COC(=O)C1=CC(C2=NC=C(O)C=N2)=CC=C1	D72375
CCOC(=O)C1=C(NC2=C(C(F)(F)F)C=CC=C2)SC(C(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2)=C1N	D72379
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)C[C@H]1O[Si](C)(C)C(C)(C)C	D72401
CCCS(=O)(=O)C1=NC(Cl)=C(N)C(Cl)=N1	D72393
CSC1=C2C=CNC2=NC(Cl)=N1	D72287
N#CC1=C(Cl)C2=CC(O)=C(O)C=C2N=C1	D72348
C#CC1=C2CCCC2=CC=C1	D72362
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O	D72290
CCOC(=O)C1=CC2=C(N=C(Br)S2)N1	D72294
C[C@@H]1CCNC[C@@H]1N(C)C1=C2C=CNC2=NC(Cl)=N1	D72308
O=C(O)C1=NSC([N+](=O)[O-])=C1	D72309
NC12CCC(NC(=O)OCC3=CC=CC=C3)(C1)C2	D72310
O=C1NC2=C(Br)C=CC=C2C=C1F	D72313
CC1=CC2=C(C=NN2)C(Br)=C1C	D72315
COC1=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=C(C2=C(P(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C=C(OC)C=C2OC)C(OC)=C1	D72417
CP(C1=C(P(C)C(C)(C)C)C=CC=C1)C(C)(C)C	D72418
CP(C1=C(P(C)C(C)(C)C)C=CC=C1)C(C)(C)C	D72419
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)O[C@H](C(C)C)P2C(C)(C)C	D72421
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)O[C@H](C(C)C)P2C(C)(C)C	D72422
CC(=O)N[C@H]1CCC2=C(C1=O)C(N)=CC(F)=C2C	D72330
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC1=CC=CC=C1)OC1=CC=C([N+](=O)[O-])C=C1	D72333
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	D72334
CC1(C)O[C@@H]2C(=O)C=C(COCC3=CC=CC=C3)[C@@H]2O1	D72342
CS(=O)(=O)C1=CC=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(C=C2Cl)CNCC3)C(=O)OCC2=CC=CC=C2)=C1.Cl	D72343
Cl.Cl.NOCCON	D72368
C#CC1=CC2=C(C=C1)C(C)(C)CCC2=O	D72373
CC1=CC=CC(CCCN[C@@H](C)C2=CC=CC3=CC=CC=C32)=C1	D72407
CCCS(=O)C1=NC(N[C@H]2C[C@@H]2C2=CC(F)=C(F)C=C2)=C2N=NN([C@H]3C[C@@H](OCCO)[C@H](O)[C@@H]3O)C2=N1	D72409
C[C@]1(Cl)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@@H]1N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O	D72410
C[C@]1(Cl)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](COC(=O)C2=CC=CC=C2)O[C@@H]1N1C=CC(=O)NC1=O	D72411
C[C@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O	D72412
CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC1=CC=CC=C1)OC1=C(F)C(F)=C(F)C(F)=C1F	D72413
O=C(CCC[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	D72424
CC(C)(C)P1C2=C(C=CC=C2C2=C3C=CC=CC3=CC3=CC=CC=C32)O[C@@H]1[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D72427
CC(C)(C)P1C2=C(C=CC=C2C2=C3C=CC=CC3=CC3=CC=CC=C32)O[C@@H]1[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D72428
CC(C)(C)P1C2=C(C=CC=C2)O[C@@H]1[C@H]1OC2=C(C=CC=C2)P1C(C)(C)C	D72429
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)O[C@H](C)P2C(C)(C)C	D72430
CN1CC[C@H](C2=C(O)C=C(O)C3=C2OC(C2=C(Cl)C=CC=C2)=CC3=O)[C@H]1CO.Cl	D72431
C1=CC=C2C(=C1)C=CC1=C2C2=C(C=CC3=CC=CC=C32)OP(N2C3=C(C=CC=C3)C=CC3=C2C=CC=C3)O1	D72585
CC(C)(C)OC(=O)N1CC2=NC=CN2C[C@H](CO)C1	D72586
COC1=CC=CC(P(C2=CC=CC=C2)C2=CC=CC=C2)=C1C1=C(P(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1OC	D72573
CC(C)(C)OC(=O)N1CC2=CC=NN2C[C@H](CO)C1	D72617
C[C@H]1CN[C@H](C)CN1C.Cl	D72619
ClC1=NC=NC2=C1C1=C(CCCC1)N2	D72593
COC(=O)C1=NC2=C(C=C1)N(C(=O)OC(C)(C)C)CCC2	D72594
CC(C)(C)OC(=O)N1CCCN2C(CN)=NN=C2C1	D72596
CC(C)(C)OC(=O)N1CC2=CC=NN2C[C@H](C(=O)O)C1	D72610
CC(C)(C)OC(=O)N1CCC2=C(NC=N2)[C@@H]1CO	D72634
N#C[C@@H]1CN(CC2=CC=CC=C2)CC2=CC=NN21	D72667
CC(C)C1=CC(C(C)C)=C(C2=CC3=CC=CC=C3C(C3=C(O)C(C4=C(C(C)C)C=C(C(C)C)C=C4C(C)C)=CC4=CC=CC=C43)=C2O)C(C(C)C)=C1	D72686
O=C(CCBr)OCC1=CC=CC=C1	D72702
C1=CC=C(C2=NC3=C(C=CN3)C=C2)C=C1	D72716
Cl.N[C@H]1CC[C@@H]1O	D72719
NC(=O)C1=CN=C(Cl)N=C1	D72721
COC1=NN(C)C=C1B1OC(C)(C)C(C)(C)O1	D72748
N[C@@H]1CCC(=O)N1.O=C(O)C(F)(F)F	D72820
C[C@H]1CCNC1=O	D72754
O=C1CCNC(=O)N1CC1=CC=CC=C1	D72762
CC(C)(C)OC(=O)NC12CCC1CNC2	D72952
Cl.Cl.NCC1=C(Cl)C=CN=C1	D72882
O=C(O)C1=CC=C(F)C(F)=C1CSC1=CC=CC=C1	D72892
O=C(O)C1=NC2=CC=CC(O)=C2C=C1	D72915
CC(C)(C)OC(=O)N1CC2CC(C1)C2C(=O)O	D72920
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)C1	D72943
C[C@@H]1NC(=O)C2=C1C=CC=C2	D72990
CC1=CN2C(=NC(C)=C2C(=O)O)S1	D73023
CC1=NNC2=C1C=NC(Cl)=N2	D73144
CO[C@H]1C[C@@H]2CC[C@H](C1)N2.Cl	D73097
CC(C)OC(=O)N1C[C@H]2CC[C@@H]1C[C@@H]2N	D73172
CC1=C(Br)C=CC(N)=C1.Cl	D73188
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C	D73190
COC(=O)C1=NC(C=O)=C2NC3=C(C=CC=C3)C2=C1	D73248
C1=CN=C(C2=N[C@@H]3C4=C(C=CC=C4)C[C@@H]3O2)C=C1	D73319
CC(C)(C1=N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1)C1=N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1	D73321
COC(=O)C1=CC2=C(N=CN2)C(F)=C1NC1=C(F)C=C(Br)C=C1	D73519
N[C@H]1CNC(=O)C12CC2	D73381
CCOC(=O)[C@@H]1CC2(CN1)CN(C(=O)OC(C)(C)C)C2	D73426
FC1(F)CCC12CNC2	D73441
O=C1CCC2(CC1)CSC2	D73453
Cl.NC1CC2(CC2)C1	D73463
O=C1NN=CC2=C1SC1=C2CCCC1	D73496
CN1C=C(C2=CN3N=CN=C(Cl)C3=C2)C=N1	D73502
NC1=C(C=O)C(Cl)=NC(Cl)=C1	D73528
C1C[C@H]2CN[C@@H]1C2	D73534
NC1=NC(Cl)=NC(Cl)=C1N	D73601
O=C1CCCC2=C1C(Cl)=CC(Cl)=N2	D73887
OCCN1CCC(F)(F)CC1	D73865
Cl.Cl.NNC12CC(C(F)(F)F)(C1)C2	D73922
COCCNC1CN(C(=O)OC(C)(C)C)C1	D74016
COC(=O)[C@@H](O)CNC(=O)CCl	D74106
CC1=CC(C)=C([S+](C2=C(C)C=C(C)C=C2C)C(F)(F)F)C(C)=C1.O=S(=O)([O-])C(F)(F)F	D74108
NC1=NC2=C(N=CN2[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H]2O)C(=O)N1	D74123
CCOC1=C(I)C=C(C#N)C(Cl)=C1	D74124
COC(=O)[C@H]1C[C@]12C(=O)NC1=C2C=C(C)C=C1	D74127
O=C(O)C1=CC2=C(C=C(Br)S2)N1	D74162
O=C(O)C1=NOC(C2=CC=CC(F)=C2)=C1	D74329
OCC1=CC=C2C=C(Cl)N=CC2=C1	D74332
N#CC1=C2N=CC=C(Cl)N2N=C1	D74343
CN1C=NC2=CC(I)=CN=C21	D74414
NC1=CC2=CC=C(Br)C=C2C(Br)=N1	D74438
ClC1=NC2=C(C=N1)OC=C2	D74521
O=C1NC=CC2=C1NN=C2	D74675
O=C(O)C1=CC2=C(C=CN=C2)O1	D74564
CCOC(=O)C1=C(O)C2=C(C=CC=C2)S(=O)(=O)N1	D74550
COC1=C(OCCCN2CCOCC2)C=C2C(=C1)N=CN=C2Cl	D74598
N#CC1(C2=NC=CC=N2)CC1	D74735
CC1=CC=C(O)C(F)=N1	D74688
OC[C@H]1CC2=C(C=CC(F)=C2)CN1	D74736
CC1=CC=C(F)C(C)=C1Br	D74747
O=[N+]([O-])C1=C(F)C=CC(Br)=C1F	D74749
CC(C)(C1=N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1)C1=N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1	D74644
N#CC1=CC2=C(S1)C(Cl)=NC=N2	D74671
O=C(N[C@H]1CCC[C@H]1C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D74872
O=C(N[C@H]1CCC[C@H]1C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D74873
O=C1CC2=CC3=C(C=C2O1)CC(=O)O3	D74878
O=C(O)CC1=CC(O)=C(CC(=O)O)C=C1O	D74879
CC(C)(C)OC(=O)N1CCN[C@H](C(F)(F)F)C1	D74715
O=C(O)C1=CC=C(F)C(F)=N1	D74727
ClCC1=NC=C(C2=CC=CC=C2)C=C1	D74755
NCCCCCCCO	D74762
BrC1=NC2=C(N=CS2)N=C1	D74766
N#CC1=CC(F)=C(C#N)C(F)=C1	D74767
COC(=O)[C@@H]1CC[C@@H]2CCNC[C@H](NC(=O)OC(C)(C)C)C(=O)N12	D74774
C[C@H]1CCN[C@@H]1C(=O)O	D74783
ClCC1=NC=CC(Br)=C1	D74784
Br.CC1=NC(N)=C(CBr)C=N1	D74791
OCCC1(CCO)COC1	D74815
COC(=O)C1=CC=C(CC2=NNC=N2)C=C1	D74851
O=C1(C2CCCCC2)C=C(C2CCCCC2)C(C2=CC3=CC=CC=C3C3=C2OP(O)OC2=C3C3=CC=CC=C3C=C2C2=C(C3CCCCC3)CC(=O)(C3CCCCC3)C=C2C2CCCCC2)=C(C2CCCCC2)C1	D74928
O=P1(O)OC2=C(C3=CC=CC=C3C=C2C2=C(C3CCCCC3)C=C(C3CCCCC3)C=C2C2CCCCC2)C2=C(O1)C(C1=C(C3CCCCC3)C=C(C3CCCCC3)C=C1C1CCCCC1)=CC1=CC=CC=C12	D74931
N[C@@H](CC(F)(F)C(=O)O)C(=O)O	D74881
COC1=CC=CC([C@H]2OC3=CC=CC(OC)=C3P2C(C)(C)C)=N1	D75031
COC1=CC=CC([C@H]2OC3=CC=CC(C4=C(OC)C=CC=C4OC)=C3P2C(C)(C)C)=N1	D75032
COC1=C2C(=CC=C1)O[C@H](C1=NC=CC=C1)P2C(C)(C)C	D75033
COC1=CC=CC([C@H]2OC3=CC=CC(OC)=C3P2C(C)(C)C)=N1	D75034
CC(C)(C)P1C2=C(C3=C4C=CC=CC4=CC4=CC=CC=C43)C=CC=C2O[C@@H]1C1=NC=CC=C1	D75038
O=C1CC2(C1)CS(=O)(=O)C2	D75211
CN(C)C1=CC=CC2=C1P(C(C)(C)C)[C@@H](P(=O)(C(C)(C)C)C(C)(C)C)O2	D75022
CC(C)OC1=CC=CC(OC(C)C)=C1C1=C2C(=CC=C1)OCP2C(C)(C)C	D75023
CC(C)(C)P1COC2=CC=CC(C3=C(OC4=CC=CC=C4)C=CC=C3OC3=CC=CC=C3)=C21	D75024
CC(C)[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D75025
CC(C)[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D75026
C[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D75027
C[C@H]1OC2=CC=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=C2P1C(C)(C)C	D75028
COC1=C(C)C=C(C)C(OC)=C1C1=C2C(=CC=C1)OCP2C(C)(C)C	D75029
COC1=C(C2=CC=CC=C2)C=C(C2=CC=CC=C2)C(OC)=C1C1=C2C(=CC=C1)OCP2C(C)(C)C	D75030
OC1=C(C2=C(O)C(C3=CC=C(C(F)(F)F)C=C3)=CC3=CC=CC=C32)C2=CC=CC=C2C=C1C1=CC=C(C(F)(F)F)C=C1	D75041
CC1(C)COC(C2=NCCO2)=N1	D75042
CC(C)(C)C1=CC=C(CC(CC2=CC=C(C(C)(C)C)C=C2)(C2=N[C@@H]3C4=C(C=CC=C4)C[C@@H]3O2)C2=N[C@@H]3C4=C(C=CC=C4)C[C@@H]3O2)C=C1	D75044
CCC[C@](C)(N)CO	D75112
FC(F)(F)CC1=CC2=C(Cl)N=C(Cl)N=C2S1	D75171
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	D75184
CC(C)(C)OC(=O)N1CC(N)(CF)C1	D75187
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1	D75189
CC(C)(C)OC(=O)N[C@@H]1CNCC(F)(F)C1	D75190
CC(C)(C)OC(=O)N[C@@H]1CNCC(F)(F)C1	D75191
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CO	D75194
CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)O	D75226
CC1=CC2=NC=NN2C=C1N	D75275
O=C(CC1=CC=CC=C1)C1CCC1	D75277
CC(C)(C)OC(=O)NC12CCC(CO)(C1)C2	D75292
COC(=O)C12CCCC(N)(C1)C2	D75298
COC1=C(C2=C3C(=CC=C2)OCP3C(C)(C)C)C(OC)=C(C(C)C)C=C1C(C)C	D75322
COC1=CC=CC(OC)=C1C1=C2C(=CC=C1)O[C@H](CC1=CC=CC=C1)P2C(C)(C)C	D75323
BrC12CCC(CC1)CC2	D75327
CC12CCC(C(=O)O)(CC1)CC2	D75330
N#CC12CCC(C(=O)O)(CC1)CC2	D75331
O=C(O)C12CCC(C(F)(F)F)(CC1)CC2	D75334
CC(C)(C)P1C2=C(C=CC=C2C2=CC=CC=C2)O[C@@H]1[C@H]1OC2=CC=CC(C3=CC=CC=C3)=C2P1C(C)(C)C	D75386
COC(=O)/C=C/C1=CC=NC=C1	D75467
FC(F)OC1=C(Br)C=NC=C1	D75488
CC(C)(C)C1=C(Cl)C=CC(C#N)=C1	D75500
CC[C@H]1COC(=O)N1	D75525
FC(F)(F)C1=NC2=C(N=C(Cl)C=C2Cl)N1	D75545
CC1=C(F)C=CC(O)=C1N	D75565
O=C1CC(=O)C2=CC(F)=C(F)C=C12	D75797
CC1=CC=C(CC[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(=O)O)C=C1	D75676
C[C@@H]1OC(=O)COC1=O	D75679
NC(=O)[C@H]1[C@@H](N)[C@@H]2C=C[C@H]1C2	D75697
O=C1CC[C@H](N2C(=O)C3=CC=CC(Br)=C3C2=O)C(=O)N1	D75769
CC1(C)OB(C2=CC(Cl)=C(F)C=C2)OC1(C)C	D75771
O=C(NS(=O)(=O)C1=CC=CC=C1)[C@@H]1CCCN1	D75816
COC1=CC=C(CCCCl)C=C1	D75832
CC1(C)OB(C2=CC=C(C3=NC(C4=CC=C(B5OC(C)(C)C(C)(C)O5)C=C4)=NC(C4=CC=C(B5OC(C)(C)C(C)(C)O5)C=C4)=N3)C=C2)OC1(C)C	D75846
O=S(=O)(Cl)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	D75854
C1CN[C@H]([C@@H]2CCCN2)C1	D75869
C1CN[C@H]([C@@H]2CCCN2)C1	D75871
CCCCC/C=C/C(=O)OCC	D75938
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1	D75989
CC1=C(C)N=C2C(Cl)=NC=CC2=N1	D76049
N#CC1=C(N)N=C(Cl)C=C1Cl	D76050
NC1=NN=C(Cl)C=C1O	D76057
CC1=C(OCCCO)C=CN=C1CCl	D76093
NC1=NC2=C(C(=O)N1)C(I)=CN2[C@@H]1CC[C@H](CO)O1	D76139
CC(C)(C)OC(=O)C1=NNC(Br)=C1	D76253
O=C(O)CC1=CN=C(Cl)N=C1	D76258
CS(=O)(=O)C1=CC(C[C@H](N)C(=O)O)=CC=C1	D76341
O=C(O)[C@H]1NCC[C@H]1F	D76328
COC1=C(C)C=CC(C(C)C)=C1	D76334
CCOC(=O)C1=CC2=C(C=CC=C2OC)N1	D76371
CC1=C(Br)C2=NC=CN2C(Cl)=N1	D76381
C[C@@]1(C(=O)O)CCCCO1	D76456
CCOC1=NC(=O)SS1	D76420
COC(=O)C1=C(C=O)C=C(Cl)C=C1	D76427
CN1C=C(Br)N=C1N.Cl	D76428
Cl.N[C@H](C(=O)O)C1CC(F)(F)C1	D76433
NC1=C(Br)N=C(I)C=N1	D76508
CSCC(C)(C)N	D76732
BrC1=CN2C=CC=C2N=C1	D76737
CC(=O)N[C@@H](CSC1=NC2=C(N=C(N)NC2=O)N1CC1=CC=C(F)C=C1)C(=O)O	D76738
CC1=C2NC=CC2=C(Br)C=C1F	D76763
COC1=CC2=NC=CC(N)=C2C=C1	D76682
Cl.N[C@H]1CCC12CC2	D76859
CC(C)(C)OC(=O)COCCN	D76692
CC(C)(C)OC(=O)N1C=NC(B2OC(C)(C)C(C)(C)O2)=C1	D76721
O=C(N[C@H]1CCCC[C@H]1C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D76771
CC1=CC(C)=C([N+]2=CN3CCOCC3=N2)C(C)=C1.F[B-](F)(F)F	D76776
F[B-](F)(F)C1CC(F)(F)C1.[K+]	D76805
COC1=CC(F)=CN=C1Br	D76819
COC1=CC(F)=CN=C1Cl	D76820
O=C(NC1CCNCC1)C1=CC=CC=C1	D76846
O=C(NC[C@H]1C[C@@H](C(=O)O)C1)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D77018
OC1=C2C(=C(O)C=C1)C1CCC2C1	D76940
CC1(C)OB(C2=CC(F)=CN=C2Cl)OC1(C)C	D76878
COC1=C(N)C(C(=O)O)=NC=C1	D76882
CC(C)S(=O)(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1	D76897
CC1(C)OB(C2=NN(C3CC3)C=C2)OC1(C)C	D76902
OB(O)C1=C(F)C(Br)=NC=C1	D76911
CC1(C)OB(C2=CC(Cl)=NC(F)=C2)OC1(C)C	D76961
COC1=CC=C(/C=C/B(O)O)C=C1	D76970
C=CC[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C	D76974
CN1CCC[C@H]1/C=C/C(=O)O.Cl	D76990
CCCCCCCCCCCCCCCC(=O)NCC(=O)O	D76997
CC1(C)OB(C2=CNN=C2C(F)F)OC1(C)C	D77007
O=C(N[C@@H](CCC(F)(F)F)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D77010
Cl.NC[C@H]1C[C@@H](C(=O)O)C1	D77011
CCOC(=O)C/N=C/C1=CC=CC=C1	D77067
NCC(=O)NCC(F)(F)F	D77074
NC1=C(S(N)(=O)=O)C=CC(Cl)=C1	D77080
ClC1=NC=C(C2=CC=CC=C2)S1	D77095
O=C(O)[C@@H]1CCC=CCCC1	D77101
Cl.NC1=CN(C(F)F)N=C1	D77118
NC1=C(Br)C=C(OC(F)F)C=C1	D77120
N#CCC1=C(F)C=C(C#N)C=C1	D77123
COC1=C(CO)C=CC(N)=C1	D77124
O=C(O)CC1=CC(F)=C(F)C=C1[N+](=O)[O-]	D77125
COC1=C(Br)C=C2C(=O)NCC2=C1	D77138
Cl.N[C@@H]1CCC[C@H](O)C1	D77153
COC1=CC=CC2=C1CCC(=O)N2	D77157
OB(O)C1=CC=CC(OCCF)=C1	D77158
Cl.O[C@H]1CNCCC1(F)F	D77167
NC1=CC(C(=O)O)=C(N)C=C1	D77186
CC1=CC(C(=O)O)=NN1C(C)(C)C	D77188
CCOC(=O)C1=C(N)SC(Br)=C1	D77189
CC[C@@]1(C(=O)O)CCCN1.Cl	D77246
CCOC(=O)[C@H](CC1=C(O)C=CC=C1)OC(C)=O	D77294
NC1=C([N+](=O)[O-])C(Cl)=NC2=CC=CC=C21	D77340
CCNC(=O)C1=NOC(C2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C(C(C)C)=C2)=C1	D77414
CCCSC1=NC(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=C2N=NN([C@H]3C[C@@H](OCCO)[C@H](O)[C@@H]3O)C2=N1	D77450
CCCSC1=NC(N[C@H]2C[C@@H]2C2=CC(F)=C(F)C=C2)=C2N=NN([C@H]3C[C@@H](OCCO)[C@H](O)[C@@H]3O)C2=N1	D77451
N#CC1=C(CN2C(=O)C=C(Cl)N(CC3=C(C#N)C=CC=C3)C2=O)C=CC=C1	D77461
COC1=CC=C(N2N=C(C(N)=O)C3=C2C(=O)N(C2=CC=C(N4C(=O)CCC[C@@H]4C)C=C2)CC3)C=C1	D77487
OCC1=NN2CCNCC2=C1	D77521
CN(C)P1OC(C2=CC=CC=C2)(C2=CC=CC=C2)[C@H]2OC(C)(C)O[C@@H]2C(C2=CC=CC=C2)(C2=CC=CC=C2)O1	D77725
NC1=CN2C=CC=C(Br)C2=N1	D77625
COC1=NC=C(C2(N)CC2)C=C1	D77667
Cl.FC(F)OC1CNC1	AT12020
Cl.N#CC12CC(N)(C1)C2	AT12022
CC(C)(C)C1=CC=C(C2=CC3=CC=CC=C3C3=C2OP(=O)(O)OC2=C3C3=CC=CC=C3C=C2C2=CC=C(C(C)(C)C)C=C2)C=C1	E72668
CC(C)(C)C1=CC=C(C2=CC3=CC=CC=C3C3=C2OP(=O)(O)OC2=C3C3=CC=CC=C3C=C2C2=CC=C(C(C)(C)C)C=C2)C=C1	E72669
O=P1(O)OC2=C(C3=C(C=C2C2=CC=CC4=CC=CC=C42)CCCC3)C2=C(O1)C(C1=CC=CC3=CC=CC=C31)=CC1=C2CCCC1	E72670
O=P1(O)OC2=C(C3=C(C=C2C2=C(C4CCCCC4)C=C(C4CCCCC4)C=C2C2CCCCC2)CCCC3)C2=C(O1)C(C1=C(C3CCCCC3)C=C(C3CCCCC3)C=C1C1CCCCC1)=CC1=C2CCCC1	E72674
OC1=C(C2=C(O)C([Si](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)=CC3=CC=CC=C32)C2=CC=CC=C2C=C1[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1	E72676
OC1=C(C2=C(O)C(C3=CC4=CC=CC=C4C4=CC=CC=C43)=CC3=CC=CC=C32)C2=CC=CC=C2C=C1C1=CC2=CC=CC=C2C2=CC=CC=C21	E72682
C1=CC=C(CC(CC2=CC=CC=C2)(C2=N[C@@H]3C4=C(C=CC=C4)C[C@@H]3O2)C2=N[C@@H]3C4=C(C=CC=C4)C[C@@H]3O2)C=C1	E72687
O=C(O)C1=CN=CC2=CN=CC=C21	AT12764
O=S(=O)(Cl)CBr	AT12635
COC1=CC(S(=O)(=O)Cl)=CC(OC)=C1OC	AT12658
C[C@H]1CNS1(=O)=O	AT12683
O=C(O)/C=C/CF	AT12709
O=C(CBr)C(F)F	AT12824
NC1=NC=CC(Br)=C1Cl	AT12829
NC1=CN=CC(Cl)=C1Br	AT12831
C#CC1=CC(C(=O)O)=CN=C1	AT12834
CC1=C(Br)C=NC2=C1NCCO2	AT12860
CC(C)C1=C(Br)C=NC=C1	AT12875
O=C(O)C1=CC(F)=C(OC(F)F)C=C1	AT12890
CN1C=CC(=O)C(C(=O)O)=C1	AT13146
CC(C)C(=O)OC[C@@H]1O[C@H](N2C=CC(NO)=NC2=O)[C@@H](O)[C@H]1O	AT13078
O=C1N=C(NO)C=CN1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	AT13085
N#CC[C@H]1CN(C(=O)OCC2=CC=CC=C2)CCN1	AT13160
N#CC[C@H]1CN(C(=O)OCC2=CC=CC=C2)CCN1	AT13161
O=C(O)[C@H]1C2CCC(CC2)[C@@H]1NC1=C(F)C=NC(C2=CNC3=C2C=C(F)C=N3)=N1	AT13207
ClC1=NC2=C(C=C1)CCCO2	AT13335
CC(C)(CC1CC2=C(C=CC=C2)C1)NC[C@H](O)COC1=C(C#N)C=CC(CCC(=O)O)=C1	D77974
COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(=O)(=O)O)C=C1)C1=CSC(C2=CC=CS2)=N1	AT18581
CC1(CCBr)N=N1	AT13405
CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(O)CO	D78472
CC(C)(C)OC(=O)N1CC=C(C(F)(F)F)C1	D78510
CC(C)(C)OC(=O)N1CC[C@H](CCO)C(F)(F)C1	D78511
N#CC1=CN=CC(F)=N1	AT18572
CC1=NC=NC(C)=C1C1=C(C)C=C(OC2=NC=CC3=C2C=CO3)C=C1	AT13464
O=C(O)CC1(C(=O)O)CC1	AT13570
ClC1=CC2=C(NN=C2)C(I)=N1	AT13763
OB(O)C1=C(OC2CC2)C=CC=C1	AT13884
CC1(C)OB(C2=C(C3CC3)C=CC=C2)OC1(C)C	AT13859
COC(=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(C(=O)OC)=N1	AT13910
CC(C)(C)[S@](=O)N=C1CCCC1	AT14046
COC1=C(S(=O)(=O)NC2=CC=C(O)C=C2)C=C(C2=C(C)N=C(NC(=O)C(C)(C)C)S2)C=C1	AT14171
CN1C=C(B(O)O)C(C(F)F)=N1	AT14131
CC1=C(Br)C=CC(S(C)(=O)=O)=N1	AT14157
ClC1=NC(Cl)=C2C(Br)=CC=CC2=C1	AT14185
NC1=CC(C2CC2)=C(Cl)C=C1	AT14313
O=C(O)C1=CC2=CC(Cl)=NC=C2O1	AT14348
CC1=C(B2OC(C)(C)C(C)(C)O2)C=NN1C1CCN(C(=O)OC(C)(C)C)CC1	AT14419
CN1C=C(B2OC(C)(C)C(C)(C)O2)C2=C1C=CC([N+](=O)[O-])=C2	AT14420
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CO	AT14457
CC(C)(C)OC(=O)N1CC2=C(C1)C(I)=NN2	AT14587
CC1=CC(I)=C(N)C=C1Br	AT14614
COC(=O)[C@@H]1O[C@H](OC2=C(N)C=C(CO)C=C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	AT14922
CC1=CC(F)=C(N)C=C1C(=O)O	AT14691
O=C(NC12CC(C(=O)O)(C1)C2)OCC1=CC=CC=C1	AT14904
OB(O)C1=CC(Cl)=C(O)N=C1	AT14948
O=C1NC[C@H](O)C1(F)F	AT14973
CS(=O)(=O)C1=C(C=O)C=CC(C#N)=C1	AT15108
ClC1=CC=C(C2CNC2)C=C1	AT15505
O=CC1=NN=C2OCCOC2=C1	AT15328
CC(=O)C1=NC=C(OC(F)(F)F)C=C1	AT15397
OB(O)C1=CC=C(N2CCOCC2)N=C1F	AT15419
CCOC1=C(C(F)(F)F)C=C(B(O)O)C=N1	AT15423
COC1=C(Br)C=C2C=CNC(=O)C2=C1	AT15476
OB(O)C1=CC=C(N2CCCC2)N=C1F	AT15485
CCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=C1C1=C(N=C2)NC(CN2CCOCC2)=C1	AT15587
O=C1C[C@@H](C2=CC=CC=C2)S(=O)(=O)N1	AT15730
N#CC1=C(O)C=CC=C1N	AT15778
CN(C(=O)OC(C)(C)C)[C@H]1CNCC12CC2	AT15919
COC1=CC2=C(C=C1)C=C(C(F)(F)F)N2	AT15994
O=C(O)C1=C(C(F)(F)F)C=NN1	AT16022
CC1(C)OB(C2=C(N)C(N)=CC=C2)OC1(C)C	AT16196
CN1CCC(OC(=O)C(O)(C2=CC=CC=C2)C2CCCC2)C1	AT16211
C[C@H]1CN[C@@H](C)CN1.Cl.Cl	AT16264
COC1=CC(Cl)=C(N)C=N1	AT16279
O=C1NCCC2=C(F)C=CC(Br)=C12	AT16341
CC1=CC=C2C=NC=CC2=C1N	AT16420
ClC1=CC(Br)=CS1	AT16572
CCOC(=O)C1=C(Cl)C2=CC(OC)=C(OC)C=C2N=C1	AT16710
C[C@H](N)C1=NC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1	AT16860
CC(C)(C)OC(=O)N[C@H]1CCC(=O)NC1	AT17009
CC1=CNC2=C(B3OC(C)(C)C(C)(C)O3)C=CC=C12	AT17076
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	AT17187
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	AT17192
IC1CC(OCC2=CC=CC=C2)C1	AT17176
CC1(C)OB(/C=C/C2=C(F)C=CC=C2)OC1(C)C	AT17237
C=CC(=O)N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1	AT18252
C=C[C@@]1(C)C[C@H](OC(=O)CS[C@H]2CC[C@H](N)C[C@@H]2O)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@H]23)[C@H](C)[C@H]1O.CC(=O)O	AT18250
FC(F)(F)C1=CC2=C(C=C1)N=CS2	D78573
FC1=CC2=C(C=C1)NC(C1=CC=CC=C1)=C2	D78615
OC1=CC2=C(C=C1)COC2	D78662
N[C@H]1CC[C@@H](N)C1	D78669
CC1=CC(Cl)=NC2=C1C=NN2	D78818
NC1=CC2=C(N=C1)NC=C2C(=O)O	D78819
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@]2(C)C[C@H]12	D78922
CC(C)(C)OC(=O)N1[C@H]2C[C@@]2(C)C[C@@H]1CO	D78924
CC1=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C=C1	D78778
OCC1=C(C(F)(F)F)OC(C2=CC=CC=C2)=N1	D78779
CCOC(=O)C(C)(C)OC1=CC(C=O)=CC=C1	D78780
COCC1=C([N+](=O)[O-])C=C(OC)C=C1	D78783
COC1=CC(NC(=O)C(F)(F)F)=C(C)C=C1	D78785
COC(=O)CCC1=CC=CC(CO[Si](C)(C)C(C)(C)C)=C1	D78786
CCOC(=O)[C@@H]1CCC2=C(C=C(OCC3=CC=CC=C3)C=C2)O1	D78787
BrC1=NC2=C(C=N1)NC=N2	D78857
CC(C)(C)OC(=O)N[C@H]1CC[C@](F)(CO)CC1	D78860
CC(C)(C)OC(=O)NC[C@]1(F)CCCNC1	D78861
NC1C[C@@H]2CC[C@H](C1)O2	D78830
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](O)C1	D78862
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](O)C1	D78863
Cl.FC(F)O[C@H]1CCCNC1	D78835
Cl.FC(F)O[C@H]1CCCNC1	D78836
C[C@H]1CNC[C@H](C)O1.O=C(O)[C@H](O)C1=CC=CC=C1	D78838
C1=CC=C(CN2CCNCC23COC3)C=C1	D78839
CC1CNCC(C(=O)O)C1	D78840
Cl.N[C@H]1C[C@@H]1F	D78842
CC(C)(N)C1CNC1.Cl.Cl	D78876
O=C(O)C1=CNC2=C1N=C(F)C=C2	D78877
O=S(=O)(Cl)C1=CNC2=C1C=CN=C2Cl	D78882
OC1=C2NC=CC2=NC=C1	D78884
O=CC1=CC2=CN=C(Cl)C=C2N1	D78885
N#CC1=CC(Cl)=C(Cl)C=N1	D78886
CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@H]2C1	D78893
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2O	D78900
Cl.O[C@H]1CCN(CCCl)C1	D78904
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H]1NC2	D78906
O=C1CC(C(=O)O)CC(C(F)(F)F)C1	D79006
C1=CC=C(C2CC3(CNC3)C2)C=C1.Cl	D79071
Cl.FC1CC2(CCN2)C1	D78992
O=C(O)CC12CC(F)(C1)C2	D78994
CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)OC1	D79002
CC1=C2C=C(Br)C(F)=CC2=NN1C	D79111
Cl.O=C(C1=CC=C(F)C(F)=C1F)N1CC(O)([C@@H]2CCCCN2)C1	D79113
COC1=CN2N=CC(C(=O)NC3=C(Cl)C=C(NC(=O)C4=NN(C5CCN(C(=O)CC(C)(C)C#N)CC5)C5=C4C=C(F)C=C5)C=C3)=C2C=C1	D79346
OCC12CCC(CI)(CC1)OC2	D79056
CC1=CC2=C(N=C(C(=O)O)C=C2)N1	D79080
COC(=O)C1=CC(Cl)=C2C=CNC2=N1	D79081
C#CC1=C2C=CN(C)C2=NC=C1	D79083
O=CC1=CNC2=NC=C([N+](=O)[O-])C=C12	D79086
O=C(O)C1=NN(C2=NC=C[N+]([O-])=C2)C2=C1C[C@@H]1C[C@H]21	D79088
C[C@H]1CC[C@H](N)CN1C(=O)OC(C)(C)C	D79182
CC(C)(C)OC(=O)N1CC2CCC1CC2C(=O)O	D79183
COC(=O)C1CC2CCC1CN2C(=O)OC(C)(C)C	D79184
CC(C)(C)OC(=O)N1CC2CCC1CC2CO	D79185
CC(C)(C)OC(=O)N1CC2(CC=C(B3OC(C)(C)C(C)(C)O3)C2)C1	D79093
CC1=NNC2=C1N=CC(Cl)=N2	D79098
NC1=CC2=NC=C(Br)C=C2S1	D79099
CC1=C(C)C2=C(N1)C(C#N)=CC(F)=C2Br	D79121
COC(=O)CCC1=C(C(=O)OC)N(C)C2=C1C=CC(Cl)=C2Br	D79122
O=C(O)[C@@H]1C[C@@H]1I	D79124
C[C@H]1CC2=C(C=CC=C2)CN1	D79125
CC(C)(C)OC(=O)N1CCNC2(C1)CN(C(=O)OC(C)(C)C)C2	D79137
CC(C)(C)OC(=O)N1CC[C@H](O)CC12COC2	D79138
O=C(O)C12CC(COCC3=CC=CC=C3)(C1)C2	D79139
Cl.O=C1CCC12CNC2	D79142
Cl.OC1(C2=CC=CC(F)=C2F)CNC1	D79146
O=C(O)C1(CF)COC1	D79154
ICC[C@H]1CCO1	D79155
BrCC[C@H]1CCO1	D79156
NCC[C@H]1CCO1	D79157
CC1(C)CC(C)(C)C1O	D79162
CC1(C)CN[C@@H]1C(=O)O	D79163
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](F)C1	D79187
COC(=O)C12C3C4C1C1C2C3C41Br	D79188
NC12CCCC(O)(C1)C2	D79189
CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1C(=O)O	D79190
COC1=CC(C(F)(F)F)=C(CO)C=N1	D79196
C[C@H]1CCC2=C(NN=C2)C1=O	D79429
COC(=O)C1=C2C(=CC(Br)=C1)N=NN2C	D79432
O=C1CCCCC1C1CCCO1	D79436
CC1=NN(C2COC2)C(C)=C1B1OC(C)(C)C(C)(C)O1	D79345
CO[C@@]1(C2=CC(C)=CC(C3=CN([C@H]4C[C@H](C#N)C4)C4=CN=C(NC(C)=O)C=C34)=N2)CCOC1	D79361
CC(C)N1CCC[C@H](N)C1	D79204
NC[C@H]1CCCS(=O)(=O)C1	D79209
O=C(O)C1=NN2C=CC=C2C=N1	D79213
BrC1=CN2N=CN=CC2=C1	D79214
NC1=C2C=NC=NN2C=C1	D79215
O=C(O)C1CN(CC(F)(F)F)C1	D79217
O=C1CCCCC1C1CCOC1	D79223
CCOC1=CC=CC(C=O)=N1	D79228
NC1CC(F)(C(=O)O)C1	D79210
C[C@H](N1CCNCC1)C(F)(F)F.Cl.Cl	D79211
CCC1=C(C(=O)NCC2=C(C)C=C(C)NC2=O)C2=C(C=C1N(CC)C1CCOCC1)OC(CN1CCCCC1)=C2	D79279
CCOC(=O)C1=CC2=C(CCCO2)N1	D79280
N[C@H]1CCN(CC2=CC=CC=C2)C2(COC2)C1	D79286
O=C(O)C12CC(C3=CC=CC=C3)(C1)C2(F)F	D79291
O=C(O)C1=C2OC=CC2=CN=C1	D79232
FC(F)(F)[C@H]1C[C@H](Br)C1	D79243
O=C1C(Br)=CC=C2CCCN12	D79244
C[C@@](CC1=CC2=CC=CC=C2C=C1)(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	D79246
CC(=O)OCC1=C(N2CCN3C(=CC4=C3CC(C)(C)C4)C2=O)C=C(F)C=C1B1OC(C)(C)C(C)(C)O1	D79254
CC(C)(F)[C@H](N)C(=O)O.Cl	D79269
COC1=C(O[C@H]2CCOC2)C=C2C(=C1)N=C(C)N=C2N[C@H](C)C1=CC(C(F)(F)F)=CC(N)=C1	D79297
C[C@H](O)C1=CC(Cl)=CN=C1F	D79305
CC1=C(Br)C=NC([C@H](C)NC(=O)OC(C)(C)C)=C1	D79330
C#CCCC(C)(C)O	D79338
C1C[C@@H]2CNC[C@@H]2O1.Cl	D79340
COC1=CC(N)=C(C(=O)O)N=C1Cl	D79344
C[C@H]1CN(C2COC2)CCN1C1=CN=C(NC2=CC(B3OC(C)(C)C(C)(C)O3)=CN(C)C2=O)C=C1	D79363
COC[C@H](C)OC1=CC(C(=O)NC2=NC=C(C)N=C2)=CC(OC2=CN=C(C(=O)N3CCC3)C=N2)=C1	D79372
COC(=O)[C@H]1C[C@@H]2C=C[C@H]1O2	D79374
COC(=O)[C@H]1C[C@H]2CC[C@@H]1O2	D79377
OC[C@@]12CCCN1C[C@@H](F)C2	D79382
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N	D79383
CC(C)C[C@@H](CP(=O)(O)[C@H](N)CCC1=CC=CC=C1)C(=O)O	D79387
Cl.Cl.NC[C@H]1C[C@H]1CN	D79390
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1	D79486
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O	D79491
CC(C)(C(=O)O)C1=C(Br)C=C(Br)C=C1	D79403
C[C@H]1OCC2(CCNCC2)[C@H]1NC(=O)OC(C)(C)C	D79409
ClC1=NC=C2C=NC(Cl)=NC2=C1	D79410
CC1=C(C(=O)O)C=CC2=C1CC[C@@H]2N.Cl	D79411
COC1=C(F)C(F)=NC=C1	D79419
CN1N=C(CO)C=C1CSC1=CC2=CC=CC=C2C(O)=C1	D79444
CN(C)[C@H]1CCC[C@@H]1O	D79450
CN1N=CC2=C1C(F)=C(N)C=C2	D79456
Cl.N[C@H]1CCC(F)(F)C[C@@H]1O	D79463
COC(=O)C1=C2C(=CC=C1)NC[C@@H]2C.Cl	D79464
Cl.O=C(OCC1=CC=CC=C1)N1CC[C@H]2NCCS(=O)(=O)[C@H]2C1	D79469
O=C(O)C1=C2C(Br)=CC=CC2=CC(F)=C1	D79476
COC(=O)[C@@H]1CC2(CCC1=O)CCN(C(=O)OC(C)(C)C)CC2	D79484
CC(C)(C)OC(=O)N1CCC2=CNN=C2CC1.O=C(O)C(F)(F)F	D79586
COC(=O)[C@@H]1C[C@H](N)CN(C(=O)OC(C)(C)C)C1	D79587
CC(C)(C)OC(=O)N1CC2(CCC[C@H](O)C2)C1	D79594
CC(C)(C)OC(=O)N1CCC[C@@]2(COCCN2)C1	D79596
CC12COC(CO)(C1)C2	D79518
CC12COC(CN)(C1)C2	D79519
O=C(NCC12CC(CO)(CO1)C2)OCC1=CC=CC=C1	D79523
O=C(NCC12CC(CI)(CO1)C2)OCC1=CC=CC=C1	D79524
BrCC12COC(C1)C2	D79525
Cl.OC[C@H]1C[C@H](F)CN1	D79543
CCOC(=O)C1[C@H]2CC(=O)C[C@@H]12	D79614
CC(C)(C)OC(=O)N1CC(N)(C(F)F)C1	D79618
FC1=NC=C2N=C(Cl)C=CC2=C1	D79621
CN1C=C([C@@H](NC(=O)OC(C)(C)C)C(=O)O)C=N1	D79623
CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](O)C1	D79635
CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N	D79639
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H](O)C1	D79640
COC(=O)[C@H]1CNCC[C@H]1C.Cl	D79694
C[Si](C)(C)CCOCN1C=CC(Br)=N1	D79545
CC(C)(C)OC(=O)N1CCC2CC(=O)CC21	D79546
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1CN	D79626
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN	D79627
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1CN	D79628
C[C@H]1C[C@H](C)N1.Cl	D79632
CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](O)C1	D79634
CC(C)(C)OC(=O)NC1=CN=C(N)C=C1	D79560
N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O	D79561
N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O	D79562
O=C(O)C1=C(F)N2C=CC=C(Br)C2=N1	D79564
COC12CCC(N)(CC1)CC2.Cl	D79566
OCC12CCC(F)(CC1)CC2	D79567
CC(C)(C)OC(=O)N1CC2(CN)CC1C2	D79569
CN(C)[C@H]1C[C@@H](O)C1	D79570
O=C1NCCC2=C1N=C(Cl)N=C2	D79571
ClC1=NC2=C(C=CO2)C=C1	D79572
O=C(O)C1=C2C=COC2=NC=C1	D79573
CC(C)(C)OC(=O)N1CC(O)C2CC2C1	D79575
C[C@@]1(C(=O)O)CCCCO1	D79579
C#CC1(OC)COC1	D79581
CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)O)C1	D79599
CC(C)(C)OC(=O)N1CCC2(CCNCC2)[C@@H](F)C1	D79601
CC(C)(C)OC(=O)N1CC[C@@]2(CCNCC2(F)F)C1	D79602
ClC1=CC(Cl)=NN2C=CN=C12	D79604
Cl.O=S1(=O)CCC2(CNC2)C1	D79605
CC(C)(C)OC(=O)N1CCC2(CCC2C(=O)O)C1	D79606
CC(C)(C)OC(=O)N1CC2(CCCC(=O)C2)C1	D79607
CC(C)(C)OC(=O)N1CCC12CCC(=O)CC2	D79608
COC(=O)[C@H]1CNCC[C@@H]1C.Cl	D79696
CC(C)(C)OC(=O)N1CCO[C@H]2CCNC[C@H]21	D79697
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2	D79699
CC(C)(C)OC(=O)N[C@H]1COC2=C(Br)C=CC=C21	D79610
O=C(O)[C@H]1OCCC1(F)F	D79611
O=C(O)[C@H]1OCCC1(F)F	D79612
CC(C)(C)OC(=O)N1CC2=C(C1)N=CC(C(=O)O)=C2	D79613
CC1=NC(N)=C(S(C)(=O)=O)C=N1	AT18402
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)OCC2=CC=CC=C2)[C@H](N)C1	D79641
CC1=NC=C2C(Cl)=NC(Cl)=CN21	D79650
FC1=CN2N=CC=C2N=C1Cl	D79654
COCC1CC(C(=O)O)C1	D79662
CO[C@@H]1CCNC[C@@H]1F.Cl	D79663
C[C@]1(N)C[C@@H](N)C1.Cl.Cl	D79664
CC(C)(C)OC(=O)NC1(C2=CC=CC(Br)=C2)COC1	D79665
CN1C=C2C=CC=C(O)C2=N1	D79666
CC(C)(C)OC(=O)N1CC2(CNC[C@@H]2CF)C1	D79689
COC(=O)[C@H]1CNCC[C@@H]1C.Cl	D79695
COC1=C(S(=O)(=O)Cl)C=C(Cl)C=N1	AT18443
COC(=O)C1=CC2=C(C=C1)N=S1(=O)CCCC21	AT18507
BrC1=C(I)C=C(I)C=C1	AT18539
C[C@@H]1CNC[C@H](CO)O1	AT18640
O=S(=O)(Cl)N1CC(F)C1	AT18657
CN1CCC([B-](F)(F)F)=CC1=O.[K+]	AT18658
C#CCCCCCCC(=O)O	AT18741
OCC1=NN=CO1	AT18766
O=C(O)[C@@H]1CC2=C(C=CC(F)=C2)CN1	AT18811
O=C1C[C@H](CO)N1	AT19035
O=C1C[C@H](CO)N1	AT19036
OCCOCCOCCOCCOCCCCCCCl	AT19197
CN1C(=O)C=CC=C1C=O	AT19298
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	AT19370
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N	AT19371
N[C@H](C(=O)O)C1(O)CC1	AT19391
NS(=O)(=O)C1=CC=C(N2N=C(C(F)(F)F)C=C2C2=CC=C(F)C=C2)C=C1	AT19475
C=CC1=NC=CC(C(=O)O)=C1	AT19513
N#CC1=NC(C(=O)O)=CS1	AT19518
N[C@@H](CC(F)F)C(=O)O	AT19556
Cl.Cl.NC1=CC=C(C2(N)CC2)C=C1	AT19618
N#CC1=CC=C(C(=O)C(F)(F)F)C=C1	AT19632
COC1=CC=C2C(=C1)C=C(O)N=C2Cl	AT19765
Cl.OC1C2CNCC12	AT19819
BrC1=NN2CCNCC2=N1	AT19831
CCOC(=O)C1=C(C(F)F)C=C(N)C(Br)=N1	AT19844
COC(=O)C1=C(C(F)F)C=C(N)C(Br)=N1	AT19845
FC1=CN=C(Br)C(C(F)(F)F)=C1	AT19874
CC(F)(F)C1=CN=CC(Cl)=N1	AT19882
COC(=O)CC12CC(N)(C1)C2.Cl	AT19889
CC(C)(F)C1=CN=CC(Cl)=N1	AT19890
CC1(C)OB(C2(B3OC(C)(C)C(C)(C)O3)CC2)OC1(C)C	AT19922
CC(C)(O)C1=CN=CC(Cl)=N1	AT19941
O=C1NC2=C(C=CC=N2)C(=O)O1	AT20002
O=C1CNC2=C(C=CC=N2)CN1	AT20015
N#CC1=C(Cl)C=C(Cl)N=C1Cl	AT20026
CC1=CNC2=C(C#N)C=C(Br)C=C12	AT20065
OC[C@H]1CC[C@@H]1CO	AT20082
O=C(O)C12CC(CO1)C2	AT20089
CC(C)(C)OC(=O)NCC12CC(N)(CO1)C2	AT20113
CC(C)(C)OC(=O)NCC12CC(C(=O)O)(CO1)C2	AT20118
O=C(O)C12CCC(CO)(CC1)C2	AT20202
CCOC(=O)CC1(N)CC1.Cl	AT20149
CC1=CNC(=O)N1C	AT20167
COC(=O)C12CC(C(C)=O)(C1)C2	AT20381
COC(=O)C12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2	AT20383
COC(=O)C12CC([B-](F)(F)F)(C1)C2.[K+]	AT20384
OCC12CCC(C(F)(F)F)(CC1)CC2	AT20216
ICC12CCC(CC1)CO2	AT20276
CC(=O)C12CCC(CC1)CC2	AT20230
Cl.NCC12CC(C1)C2	AT20358
O=S(=O)(Cl)C12CC(Cl)(C1)C2	AT20338
F[B-](F)(F)C12CC(C1)C2.[K+]	AT20390
COC(=O)C12CC(C(N)=O)(C1)C2	AT20376
COC(=O)C12CC(CBr)(C1)C2	AT20429
CCCC12CC(C(=O)O)(C1)C2	AT20445
CC(C)C12CC(C(=O)O)(C1)C2	AT20446
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1O	AT20585
CC(C)(C)OC(=O)N1CCN2N=CC(O)=C2C1	AT20544
C[C@H](O)C1COC1	AT20599
C[C@H](O)C1COC1	AT20601
O=C(ON1C(=O)C2=C(C=CC=C2)C1=O)C1CCCCC1	AT20652
COC(=O)/C=C/CN.O=C(O)C(F)(F)F	AT20735
CC1=CC=C([C@H](C)N)O1.Cl	AT20911
COC(=O)C1=CC=CC(CBr)=C1F	AT21057
FC(F)(F)C1=CC=C(Cl)N=C1Br	AT21058
OCC1=NSC=C1	AT21123
O[C@H]1CCOC2=NC=CC=C21	AT21149
Cl.NC1=CC=CC(S)=C1Cl	AT21188
O=C(O)C1=C2C=NNC2=C(F)C=C1	AT21285
CC1=C(B(O)O)C=CC2=C1C=NN2C	D79747
CC1=C2C(=CN=C1)C=CC=C2C(=O)O	D79750
BrC1=NC=CC2=NC=CN=C12	D79741
Cl.NCC1=CN=C(Cl)C(Cl)=C1	D79849
O=C(O)C1=C(Cl)C=C(C(F)(F)F)N=C1	D79851
COC(=O)C1=C(Cl)C=C(C(F)(F)F)N=C1	D79854
CN(C[C@H]1CCNC1)C(=O)OC(C)(C)C	AT21427
CCCC[Sn](CCCC)(CCCC)C1=NC=CC=C1C(F)(F)F	D79756
NC1=C(C(=O)C(F)(F)F)C=C(Br)C=C1	D79761
NC12COC(CO)(C1)C2	AT21436
O=C(NC12COC(CO)(C1)C2)OCC1=CC=CC=C1	AT21437
CN(C[C@H]1CCNC1)C(=O)OC(C)(C)C	AT21446
NC(=S)C1=CC=NC2=CC=CC=C21	D79707
Br.BrCC1=CC2=CN=CC=C2C=C1	D79717
CC1=NC(C(N)=S)=CO1	D79721
CC1=C(C(=O)O)C=NC(N)=N1	D79723
CN1N=C(N)C2=C1C=C(F)C=C2	D79725
O=CC1=CC2=C(C=NC=C2)S1	D79728
Cl.Cl.NN[C@H]1CCCNC1	D79855
OCC1=CC=C2C=CN=C(Cl)C2=C1	D79857
NC1=C2C=C(CO)C=CC2=CC=N1	D79858
CSC1=CC(C)=CN=C1Br	D79859
CCCC[Sn](CCCC)(CCCC)C1=NC=C(C(F)(F)F)C=C1	D79762
NC(=O)C1=CC(Cl)=CN=C1	D79763
ClC1=C2C=NC(Br)=CC2=CC=C1	D79764
CC1=NC(CN)=C(F)C=C1.Cl	D79767
Cl.NN[C@H]1CCCNC1	D79875
Cl.NNC1CCNCC1	D79876
N#CC1=C(Cl)C=C(C(F)(F)F)N=C1	D79877
CC(=O)C1=C(N)N=CC(Cl)=N1	D79879
CC1=CC(C(F)(F)F)=NC=C1C(=O)O	D79883
CC1=C(C=O)C=CC2=C1N=NN2C	D80064
COC(=O)C1=NC(Br)=CN2C=CN=C12	D79771
O=CC1=C2OCOC2=CC(Br)=C1	D79774
COC(=O)C1=C(Br)C=C(C)C=N1	D79779
BrC1=CC2=NNC(Br)=C2N=C1	D79785
ClC1=CC=NC2=NNC(Br)=C12	D79787
CC(C)(C)OC(=O)NC1=C(C=O)C=CN=C1Cl	D79792
CSC1=CC(F)=CN=C1Br	D79793
C#CC1=NC=C(C(F)(F)F)C=C1	D79798
C[C@H](O)CC1CCNCC1	D79799
C#CC1=CC(C)=NC=C1	D79801
NC1=CC=C2C=NC(Cl)=CC2=C1	D79802
CN1C=CC2=C(C=CC=C2C#N)C1=O	D79808
CN1C=CC2=C(C=CC(C(=O)O)=C2)C1=O	D79809
CCOC(=O)[C@H](CC)N1C=C(Br)C=N1	D79813
NC1=C2C=CC(CO)=CC2=CC=N1	D79821
CC1=C2C(Br)=CC=CC2=CC=N1	D79824
CC1=NC=C2C(C#N)=CC=CC2=C1	D79827
O=C1NC2=C(C=C(Br)C=C2)N1C1CC1	D79831
CC(=O)C1=C([N+](=O)[O-])C=C(C)C=N1	D79834
CNC(=O)C1=CC=C(C=O)C=C1	D79835
O=C(O)C1=C(Cl)C(OC(F)F)=CC=N1	D80036
OCC1=CC(OC(F)F)=C(Cl)C=N1	D80037
O=CC1=CC2=C(C=CN=C2)O1	D79839
OCC1=CC(C(F)F)=NC=C1	D79844
O=C1NN=C2C=CC(C(F)(F)F)=CN12	D79847
CC1=CN=C(Cl)C=C1NC(=O)OC(C)(C)C	D79864
CC(=O)C1=NC=C(Br)C=C1Cl	D79869
NCC1=C(OCCO)C=NC=C1	D79890
COC(=O)C1=CC=NC(SC)=N1	D79892
CC1=CCCC(=O)C1	D79894
CC1=CC(Br)=CC([C@@H]2CNCCO2)=C1	D79904
CO/N=C/C1=C(N)C=CC=C1	D79908
CN(C1CC1)S(=O)(=O)C1=CC=C(C2=NC(C3=CC4=C(C=C3)C(=O)NCC4)=C(N)N=C2)C=C1	D79912
O/N=C(\Cl)C1=CC=C(C(F)F)C=C1	D79913
COC(=O)C1=C(NS(C)(=O)=O)C=CC=C1	D79926
O=C(CBr)NC1=C(C(=O)C2=NC=CC=C2)C=C(Br)C=C1	D79929
C1CN(C23CC(C2)C3)CCN1	D79942
OC1=CC=C(C23CC(C2)C3)C=C1	D79948
FC1=C(C#CBr)C=CC=C1	D79955
CN1C=CC2=C(Br)C=C(C(=O)O)C=C21	D79960
O=C(O)CCC1=C2B(O)OCC2=CC=C1	D79971
CCC1=CN=C(C(=O)O)C=N1	D79974
BrC1=CN2C=CN=C2C(C2=CC=CC=C2)=N1	D79980
IC1=CN2C=CN=C2C(C2=CC=CC=C2)=N1	D79981
CC(C)C1=CC(Br)=CC([C@H](C)N)=C1.Cl	D79982
CC1=CC(Br)=CC([C@H](C)N)=C1.Cl	D79983
FC1=C(C=C(Br)Br)C=CC(Cl)=C1	D79987
FC1=C(C=C(Br)Br)C=C(Cl)C=C1	D79989
CN/C=N/C1=C(C)C=C(C)C=C1.Cl	D80007
NC1=CC2=C(C=C1)C=C(C1=NC3=C(C=CC=C3)N1)C(=O)O2	D80014
O=CC1=C(O)C=C(C2(C(F)(F)F)N=N2)C=C1	D80016
CC1=CC(C(=O)C(F)(F)F)=CN=C1Cl	D80018
O=C(C1=CN=C(Cl)C(F)=C1)C(F)(F)F	D80019
CC1=CC(Br)=CN=C1C(=O)C(F)(F)F	D80024
FC1=CC(Br)=C(F)C2=C(Cl)C=CN=C12	D80164
CC1=CC=C2C(Cl)=CC=C(C)C2=N1	D80147
CNC1=NC(Cl)=CC2=CC=CC=C21	D80083
CC1=C2C=CC=C(Br)C2=CC(Cl)=N1	D80086
N#CC1=C(F)C=CC2=CN=CC=C21	D80087
O=C(O)C1=C(F)C=CC2=CN=CC=C21	D80088
NC1=C(F)C=CC2=CN=CC=C21	D80089
C[C@H](Br)C1=NC=C(C(F)(F)F)C=C1	D80259
NC1=C(Br)C=C(O)C(F)=C1	D80092
N#CC1=CC=C(F)C2=CC=NC=C12	D80097
CC1=CC2=CN=CN2C(C)=C1	D80106
CC1=CN2C=NC=C2C(C)=C1	D80107
FC1=CN2C=NC=C2C(Cl)=C1	D80110
ClC1=CC(Br)=CN2C=NC=C12	D80111
CC1=CC2=CN=CN2C=C1	D80112
CC(C)(C)C1=CC(O)=NC(C2CC2)=N1	D80163
Cl.N[C@@H](C(=O)O)C1=CC(F)=C(F)C=C1	D85210
Cl.N[C@@H](C(=O)O)C1=CC=C(C(=O)O)C=C1	D85211
Cl.Cl.N[C@@H](CC(=O)O)C1=CC=NC=C1	D85212
CC1=CC([C@@H](N)CC(=O)O)=C(C)C=C1.Cl	D85213
Cl.N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1Cl	D85214
CC1=CC(F)=C([C@@H](N)C(=O)O)C=C1.Cl	D85216
CC(C)CC1=CC=C([C@H](C)N)C=C1	D85217
CC1=CC=C([C@@H]2CCCN2)C=C1.Cl	D85218
O[C@H]1C[C@@H](C2=CC=C(C(F)(F)F)C=C2)C1	AT12568
CC1=C([C@@H](N)C(=O)O)C=C(Br)C=C1.Cl	D85219
Br.CC1=C(Br)C=NN=C1	AT12789
CC(=O)O.CC(=O)O.COC(=O)C1=CC=C([C@@H]2CNCCN2)C=C1	AT13080
N#CC1=CC=C(Br)N=C1Br	D80196
Br.CC1=C(CBr)C=CN=C1	D80203
CC1=CC(NC(=O)OC(C)(C)C)=C(I)C=C1Br	AT13285
OC[C@H]1COC2=C(C=C(Br)C=C2)O1	D80205
CC1(C)OB(C2=CC(OC(F)F)=C(F)C=C2)OC1(C)C	D80228
Cl.N[C@@H](CO)C1=CC2=CC=CC=C2C=C1	D85221
CN(C)C1=CC(Br)=NC=N1	D80235
CC(=O)C1=NC(N)=CC=C1.Cl.Cl	D85223
O=C(O)C1=C(OC(F)F)N=C(Cl)C=C1	D80265
COC(=O)C1=C(OC(F)F)N=C(Cl)C=C1	D80274
ClC1=C2C=CC(Br)=CC2=NN=C1	D80371
O=S(=O)(C1=CC=CC2=CN=CC=C21)N1CCNCC1	D80372
C[C@H](N)C1=NC=CC=N1.Cl.Cl	AT18259
CN(C)CCCN(CC[C@@H](N)C(=O)O)C[C@@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H](O)[C@H]1O.O=C(O)C(F)(F)F	D80311
COC1=CC(C#N)=NC(OC)=N1	D80315
O=C(O)C1=CC=C(C2=CC3=C(C=CC(O)=C3)S2)N1	D80325
CC1=CC=C(C2=CCC(C)(C)C3=C2C=C(C#CC2=CC=C(C(=O)O)C=C2)C=C3)C=C1	D80330
COC1=CC(F)=C([C@@H](N)C(=O)O)C=C1.Cl	D85239
OC[C@@H]1O[C@H](N2C=NC3=C(N[C@H]4CCOC4)N=CN=C32)[C@@H](O)[C@H]1O	D80368
COC(=O)C1=C([C@@H](N)CO)C=CC=C1.Cl	D85240
COC1=CC=CC(C(=O)C(=O)O)=C1	D84500
CC(C)(C)OC(=O)COC1=CC=C(O)C=C1	D84501
CC1=CN=C(N)C(C)=C1C	D80400
CCCC[C@H](N)CC(=O)O.Cl	D85242
OC1=CC=CC2=C1CC[C@H](NCCC1=CC=CS1)C2	D80436
CC(CN1C=CN=N1)(C(N)C(=O)O)S(=O)O	D80442
O=C1NC2=NC=CC(Cl)=C2N1	D80455
CC1=C(Br)C=NC([N+](=O)[O-])=C1	D84499
CC(C)(C)OC(=O)NC1=C([N+](=O)[O-])C=C(C2=CC=CC=C2)C=C1	D84502
CCCC[C@H](N)CC(=O)O.Cl	D85241
CC(C)(C)OC(=O)NCCCN(CCCCN(CCCN(CCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	D80516
N#C/C(=C\C1=CC(O)=C(O)C=C1)C(=O)OCCC1=CC=CS1	D80520
CC1=CC(C)=CC([C@@H](N)CC(C)C)=C1.Cl	D85243
CC[C@@H](CO)NC1=NC(NCC2=CC=C(C3=NC=CC=C3)C=C2)=C2N=CN(C(C)C)C2=N1	D80545
Cl.N[C@@H](CC1=CC=CC(C(=O)O)=C1)C(=O)O	D85244
COC1=CC(Br)=NC(C(N)=O)=C1	AT21502
Cl.N[C@H]1CCOC2=C1C=C(OC(F)(F)F)C=C2	D85245
CC(=O)OC[C@H](CO)CCN1C=NC2=CN=C(N)N=C21	D80603
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N(CC)C(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C	D80623
CN1C=CC2=C1C=CC(NC(=O)NC1=CN=CC=C1)=C2.Cl	D80628
Cl.Cl.Cl.NCCCCN1CCC(NC2=NC3=C(C=CC=C3)N2CC2=CC=C(F)C=C2)CC1	AT21499
COC1=CC(C2=CC=CC(C#C[C@]3(O)CCN(C)C3=O)=C2)=NC(C(N)=O)=C1	AT21503
CC1=NC=C(CN2CC=C(C3=CC=CC=C3)CC2)C(N)=N1.Cl.Cl	D80673
CNC1=NC(C2=NC=CC=C2)=CC(NCC2=C(Cl)C=C(NS(C)(=O)=O)C=C2)=N1	D80682
CCC[C@H]1CCCN1.Cl	D85246
Cl.N[C@@H](CO)C1CCC1	D85247
CC(C)(C)NCC1=C(O)C=C(NC2=C3C=CC(Cl)=CC3=NC=C2)C=C1.Cl.Cl	D80744
C[C@H](N)C1=CC(O)=NC=C1.Cl.Cl	D85248
O=C(O)C1=C(NC(=O)C2=C(Cl)C=CC(S(=O)(=O)C3=CC=CC=C3)=C2)C=CC=C1	D80904
C=CC(=O)NC1=C(F)C=CC(NC(=O)C2=CN(C3=C(F)C=CC=C3)N=C2)=C1	D80862
BrC1=CC=C(NC2=NC(C3=CC=CC=C3)=CS2)C=C1	D80809
CC1=CC(S(C)(=O)=O)=C(S(C)(=O)=O)C=C1C(=O)NC(=N)N	D80911
COC1=CC(C)=C2C(=N1)C(N[C@@H](C)CCCN)=CC(OC)=C2OC1=CC=CC(C(F)(F)F)=C1.O=C(O)CCC(=O)O	D80913
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C	D80917
COC(=O)C1=CC2=C(C=C1)NC=C2C(C)C	D80878
CCN1C(=O)N(C2=CC(O[C@@H](C)C(F)(F)F)=C(C(=O)NC3=C(Cl)C=CC=C3F)C=C2F)N=C1CO	D80981
CCN1C=NC2=C1N=C(C#N)N=C2NC1=CC(F)=CC(F)=C1	D80998
CCCCCCCCCCC1=CC=C(O)C=C1	D81091
CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(C(C)(C)C)=C(O)C=C1	D80962
COC1=CC=CC(OC)=C1C1=CC=CC2=C1P(C(C)(C)C)[C@@H]([C@H]1OC3=CC=CC(C4=C(OC)C=CC=C4OC)=C3P1C(C)(C)C)O2	D80983
CC(=O)/C=C(\C)N(C)C	D80987
O=C1OC(Cl)=C(Cl)C2=C1C=CC=C2	D81013
CC(=O)N1C=NC2=C1N=CNC2=O	D81018
CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1	D81019
O=C(NCCC1=CC=C(O)C=C1)[C@@H]1CCC2=NC3=C(C=C(Br)C=C3)CN21	D81032
CC(=O)NC1=C(C2=C3NC4=C(C=CC=C4)C3=CC=C2)C=CC=C1	D81049
CC1=CC=NN1C1=CC=C(C(=O)N2CCN(S(=O)(=O)C3=CC(C(F)(F)F)=C(Cl)C=C3)CC2)C=C1	D81064
CN1C=C(C2=C(C3=C4C[C@@H](CN)CCN4C4=C3C=CC=C4)C(=O)NC2=O)C2=C1C=CC=C2.Cl	D81072
NS(=O)(=O)C1=CC=C(NC2=NC(C3=CC(C4=CC=CC=C4)=CC=C3)=C3NC=NC3=N2)C=C1	D81073
O=C1NC(OC2=CN(CC3=CC=CC=C3)N=C2)=NC2=C1C=CN=C2	D81086
CC1=C(C)C=C(NC2=C(C(N)=O)C=NC3=CC(C4=CC=NC=C4)=CC=C32)C=C1	D81106
CCOC(=O)CN1C=CC=C1C1=NC(C2=CC=C(OC)C=C2)=C(C2=CC=C(OC)C=C2)S1	D81142
COC1=C(OC)C(=O)C2=C(C=CC=C2)C1=O	D81157
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C.O=C(O)C(F)(F)F	D81199
COC1=CC2=NC(NC3CC3)=NC(NC3CCN(C(C)C)CC3)=C2C=C1OC	D81209
FC1=CC=C(C(CCCNC[C@H]2CCC3=C(C2)C2=C(C=CC(F)=C2)N3)C2=CC=C(F)C=C2)C=C1	D81326
Cl.OC1C2CNCC1COC2	D81393
CCCCCCCCCCCCCCCC(=O)N(CCO)CCO	D81526
COC1=CC2=C(C=C1OC)CN1CCC3=CC4=C(C=C3[C@@H]1C2)OCO4	D81542
COC1=CC=CC([C@@H](O)C2CCN(CCC3=CC=C(F)C=C3)CC2)=C1OC	D81434
CN1N=C(CC(=O)NC2=CC=C(CN3CCN(C(=O)OC(C)(C)C)CC3)C=C2)C2=C(C=CC=C2)C1=O	D81469
COC1=CC=CC(NC2=NC3=CC=CC=C3C(NC[C@H]3CCCO3)=N2)=C1	D81483
COC(=O)/C(C#N)=C/C1=CC=C(C2=CC=C(S(N)(=O)=O)C=C2)O1	D81511
C=CC[C@H]1CCCCN1.Cl	D81549
CC(C)(C)NC(=O)[C@@H](C1=CN=CC=C1)N(C(=O)C1=CC=CO1)C1=CC=C(C(C)(C)C)C=C1	D81553
C[C@H](N)C1=C(F)C=CC(Cl)=C1F	D81558
COC(=O)C1=C(S(=O)(=O)NC(=O)NC2=NC(C)=NC(=O)N2)C=CS1	D81564
C[C@H](N)C1=COC=C1.Cl	D81573
C[C@H]1OCC2(CCN(C3=CN=C(SC4=CC=NC(N)=C4Cl)C(N)=N3)CC2)[C@H]1N	D81634
NCCNC(=O)CC1=CC=C(NC(=O)CC2=CC=C(NC3=NC=NC4=C3N=CN4[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C=C2)C=C1	D81776
O=C1CC2=C(NC3=C2C=C([N+](=O)[O-])C=C3)C2=C(C=CC=C2)N1	D81786
COC1=CC=C(C[C@@H](N)C(=O)N[C@@H]2[C@H](O)[C@@H](N3C=NC4=C(N(C)C)N=CN=C43)O[C@H]2CO)C=C1.Cl.Cl	D82055
CC1=C(Br)N(C)N=N1	D82136
CC1=C(C)C(O)=CC(=O)O1	D82138
CN1CCNC(=O)C1(C)C	D82321
COC1=C(F)C=CN=C1N	D82404
CCCCCCCCCCCCCCCCCCC1=CC=C(O)C=C1	D82244
CCCCCCCCCCCCCCC1=CC=C(O)C=C1	D82380
CCCC1=CC=CC(O)=C1O	D82476
C[C@H]1CNCC2=CC(Br)=CN=C21	D82650
NCC1=C2N=CC=NC2=CC=C1	D82746
FC1=CC2=CC=CC=C2C=N1	D82691
CC(=O)C1=C(Br)C(C)=CC=C1	D82779
O=C(O)C1=CN=CC(C(F)(F)F)=N1	D82843
CCCCN(CCCC)C(=O)CN1C[C@@H](C2=CC3=C(C=C2)OCO3)[C@H](C(=O)O)[C@H]1C1=CC=C(OC)C=C1.Cl	D82853
NC1=C(N)C=C(OC(F)F)C=C1	D82953
CS(=O)(=O)C1=CN=CC(CN)=C1	D82974
CN1CCC2=C(C1)C1=C(C=CC=C1)N2CC1=CC=C(C(=O)NO)C=C1.O=C(O)C(F)(F)F	D82920
O=C(O)C1CSSC1	D82957
COC(=O)C1=C(N)N=C(C)C=C1	D82960
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C	D83129
Cl.Cl.N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O	D83072
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C	D83121
O=C(O)C1=C(Br)C=C(C(F)(F)F)N=C1	D83141
N#CC1=C(Br)N=CS1	D83163
OC1=CC=C2C=CC(F)=C(F)C2=C1	D83178
COP(=O)(OC)O[C@H](C1=CC=C(Cl)C=C1)P(=O)(OC)OC	D83230
COC(=O)C1=CNC2=CC(Cl)=NC=C21	D83267
NC1=C(F)C(C(F)F)=CC=N1	D83272
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O	D83282
O=C(ON1C(=O)CCC1=O)C1=CC=C(C2(C(F)(F)F)N=N2)C=C1	D83318
CC(C)NC[C@H](O)COC1=C2C(=CC=C1)CCCN2C(=O)C1=CN=CC=C1	D83374
CSC1=C(N)N=CC=C1	D83379
CC(C)(C)C1=CC=CN=C1C#N	D83511
NC(=O)C1=CN=C(N)O1	D83519
CC(C)C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=CC=C3)N2N=C1.Cl	D83425
CN1C=C(C2=C3C=NNC(=O)C4=C3C(=CC(NC(=O)[C@@H](N)C3CCCCC3)=C4)N2)C=N1	D83426
Cl.NC1=CC(NC2=CC=C(S(N)(=O)=O)C=C2)=NC=N1	D83492
COC1=NC(N)=C(CO)C=N1	D83536
Cl.N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)(F)F	D83645
ClC1=CC=CC2=C1N=C(Br)N2	D83594
CC(=O)NC1=C(OCC(=O)O)C=CC=C1	D83604
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C1=CN=CC=C1)C(=O)O	D83656
CCN(C/C=C/C#CC(C)(C)C)CC1=CC=CC(OCC2=CC(C3=CSC=C3)=CS2)=C1	D83658
CC1=C(CCC(=O)O)C2=C(C=C1)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)CC2	D83664
CS(=O)(=O)C1=C2C(=C(OC3=CC(F)=CC(C#N)=C3)C=C1)CC(F)(F)[C@@H]2O	D83665
C[C@H]1CN(CC2=CC=C(F)C=C2)CCN1C(=O)COC1=C(NC(N)=O)C=C(Cl)C=C1.Cl	D83669
CCC1=NC2=C(C=C(C)N=C2C)N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1	D83673
OC1=C(SSC2=C(O)C=CC3=CC=CC=C32)C2=CC=CC=C2C=C1	D83674
NC1=NC=CC(OC(F)F)=C1	D83936
N#CC1=C(N)C=CC(C(F)(F)F)=N1	D83942
O=C1C=CC(C2=CC=CC=C2)(C2=CC=CC=C2)O1	D83809
O=C(O)C1=CC2=CC=C(C3=CC(C45CC6CC(CC(C6)C4)C5)=C(O)C=C3)C=C2C=C1	D83837
CC(=O)C1=CC(N)=C([N+](=O)[O-])C=C1	D83872
CC(C)C1=C(C2=CC=CC=C2)NC2=C(C#N)C=NN2C1=O.Cl	D84063
CC1=CC=C(S(=O)(=O)OCCC2(C)N=N2)C=C1	D84064
NC(=O)CC1=NNC2=C1C=C(Cl)C=C2	D83919
O=C1CCCC2=C(C=CC=C2)O1	D83922
CC(=O)C1=CC(C(F)(F)F)=CN=C1	D83923
CCOC(=O)C1=C(O)C=CC(C(F)(F)F)=C1	D83931
NCC1=C2C=C(Br)C=CC2=NC=C1	D83933
NC1=NC=C(Br)C=C1N1CCNCC1	D83945
N#CC1=C(Br)C=C(O)C=N1	D83960
CN(C)CCCCCN.Cl.Cl	D83961
CCC1=C(C(=O)OC)C=CC=N1	D83965
CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1CO	D84006
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2.Cl.Cl.O	D84035
COCCCC1=C(C(=O)NC2=C(C3=NC4=CC(CN5CCCC5)=CN=C4S3)C=CC=C2)N=C(C2=CC=CC=C2)S1.Cl	D84040
CN(CCOC1=C(C(C)(C)C)C=C(C2=CC3=C(C=C2)OCO3)C=C1)CC(=O)O.Cl	D84043
CCN1C2=CC(OC3=CC=CC(NC(=O)C4=CC=C(OCCN5CCOCC5)C=C4)=C3)=NC=C2N=C1C1=NON=C1N.Cl	D84058
COC1=CC=CC(C(=O)NC2=CC(C3=CC=NN3C)=C(OCCN3CCOCC3)C=C2)=C1	D84074
Cl.FC1=CC2=C(C=C1)CNCCC2	D84084
O=C1C=C2NC(=O)N(C3=CC=CC(OCC4=CN=CS4)=C3)CC2=CN1CC1=CC=CC=C1	D84102
COC1=CC=C(N2C(=O)N(O)C(=O)C3=C2C=CC=C3)C=C1	D84105
CN1[C@H]2CC[C@H]1CC(OC(=O)C1=CC(Cl)=CC(Cl)=C1)C2	D84206
Cl.NC1=NN2C=CC=CC2=C1	D96321
C[C@H](N)C1=CC=CC(O)=C1.Cl	D85250
CC(C)(C)OC(=O)N[C@@H](CO)C1CC1	AT21539
Cl.N[C@@H](CC(=O)O)C1=CSC=C1	D85252
O=CC1=C2C=C(Cl)N=CC2=CC=C1	D84718
Cl.NC1C2=C(C=CC=C2)CCC1O	D84305
ClC1=CNC2=C1C(Cl)=NC=C2	D84307
Cl.Cl.N[C@@H](CC(=O)O)C1=NC=CC=C1	D85249
Cl.N[C@@H](CC(=O)O)C1=CC=C(OC(F)(F)F)C=C1	D85251
O=CC1=CC(F)=CN=C1O	AT21536
CC(C)(C)OC(=O)N1CC[C@H](C2=C(Br)C=CC=C2)C1	AT21559
Cl.O[C@H]1CNCC12CC2	AT21566
CC(C)(C)OC(=O)N1C[C@@H](N)CCC1=O	D84878
CC(C)(C)OC(=O)N1CC[C@H]1C(N)=O	AT21621
Cl.O=C(O)C1=CC=C([C@@H]2CCCN2)C=C1	D85253
BrCC1=CC2=NC=CC=C2C=C1	D84719
O=CC1=CC=CC2=C1C=CNC2=O	D84724
BrCC1CCSCC1	D84726
CC1=C2C(C=O)=CC=CC2=CC=N1	D84727
CC1=NC=C2C(C=O)=CC=CC2=C1	D84728
BrC1=CC2=NSC=C2C=C1	D84732
COC1=CC(C2(C(F)(F)F)N=N2)=C(C=O)C=C1	D84781
CC1=C(C(=O)O)SC2=NC=CC=C21	D84760
CC1(C)CC(=O)C2=C(C1)NC1=CC=CN=C12	D84761
CC1(C)CC(=O)C2=C(C1)NC1=C2C=CC(Br)=C1	D84762
C=CC[C@H](C)N.Cl	D84793
CC1=CC(O)=C2C=NN(C)C2=N1	D84820
CC(C)(C)OC(=O)N1CCO[C@H](C2=CC=C(Br)C=C2)C1	D84864
NC1=C(F)C(Cl)=NC2=CC=NN21	D84865
O=C(N[C@H]1CC[C@@H]1C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D84866
O=C(N[C@@H]1CCC[C@H](O)C1)OCC1=CC=CC=C1	D84871
C=CC(=O)N1CCN(C2=C3C=C(Cl)C(C4=C5N=C(N)SC5=C(F)C=C4)=C(F)C3=NC=N2)CC1	D84872
COC(=O)C1=C(N)SC(CC(F)(F)F)=C1	D84873
BrC1=CC2=C(C=CN=C2)N1	D84807
C1COC[C@@]2(C1)CCNC2.C1COC[C@@]2(C1)CCNC2.O=C(O)C(=O)O	D84808
NC1CCC2CCCN2C1	D84809
OCC1=CC(Br)=C2OC(F)=CC2=C1	D84810
O=C(O)[C@H]1N(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)CC12CC2	D84811
CC1(C)CC(NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)(C(=O)O)C1	D84812
BrC1=CN2C=NN=C2C=N1	D84813
COC1=CN=CC(Br)=C1N	D84818
CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O.CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O.O=C(O)C(=O)O	D84848
CN(C)C12CC(N)(C1)C2.Cl.Cl	D84849
N[C@H]1CC12CCCCC2	D84852
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CC(C)(C)OC(=O)N1CCN2N=CC(N)=C2C1	D84830
CC1=NN(C)C2=CC(F)=C(Br)C=C21	D84833
CCOC(=O)C1C2OC3=C(C=C(O)C=C3)C21	D84834
OC[C@@H]1COC2(CCC2)C1	D84839
COC(=O)[C@H]1C[C@@H](CN)C1.Cl	D84841
CC1=CC(C2(O)CNC2)=C(F)C=C1.Cl	D84843
OCC[C@H]1CCO1	D84844
O=[N+]([O-])C1=CC2=C(NN=C2I)C(F)=C1	D84874
CC(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2	D84884
CN1N=NC(I)=C1I	D84885
COC(=O)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C	D84888
C[C@H]1CNC2=C([N+](=O)[O-])C=CC=C21	D84891
ClC1=CC=C(Br)N2N=CC=C12	D84892
FC1(F)CCC2=C1N=C(Cl)C=C2	D84855
C[C@]1(O)CCC[C@@H]1N	D84856
BrC1=NC=C(C2CC2)N1	D84858
CN(C)[C@H]1C[C@H](O)C1	D84895
CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H](N)C1	D84897
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC(F)(F)C1	D84898
CC(C)(C)OC(=O)N1CC(F)(F)C2(CCNCC2)C1	D84899
Cl.O=S1(=O)CCCC12CNC2	D84900
C1CCC2(CCOCC2)NC1.Cl	D84901
CC(C)(C)OC(=O)N[C@H]1COC2=C(Br)C=CC=C21	D84902
C[C@H]1C[C@H](C)N1.Cl	D84904
CC(C)(C)OC(=O)N1CC2(CNC[C@H]2C(F)F)C1	D84912
C[C@@H]1NCCC12CN(C(=O)OC(C)(C)C)C2	D84913
CN1[C@@H]2COC[C@H]1CC(N)C2.Cl.Cl	D96495
CC(C)(C)OC(=O)N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	D85254
Cl.N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	D85255
CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CC[C@]2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)[C@@]3(C)C(O)C[C@@]12C	D84934
C/C=C1/CN2CCC3=C(NC4=C3C=CC=C4)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC	D85033
CS(=O)CCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	D85181
Cl.N[C@@H](CC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)O	D85256
COC1=C(Cl)C=C([C@@H](N)C(=O)O)C=C1.Cl	D85257
Cl.N[C@@H](CC1=NC=CS1)C(=O)O	D85258
COC1=CC(Cl)=C([C@@H](N)C(=O)O)C=C1.Cl	D85260
Cl.Cl.N[C@@H](CO)C1=CN=C(Br)C=C1	D85262
Cl.Cl.N[C@@H](CO)C1=CN=C(C(F)(F)F)C=C1	D85263
Cl.N[C@H]1CCCC2=C(O)C=CC=C21	D85264
CC(C)(C)OC(=O)N1CCOC[C@]2(CNC(=O)CO2)C1	D85265
O=C1CCN(CC2=CC=CC=C2)C2(CCC2)C1	D85267
CC(C)C1=NC(C2=C(F)C=C(O)C=C2F)=NO1	D96119
NC1=C(F)C=CC2=NC=CC=C21	D87188
C[C@H](N)C1=CC=CC(C(F)F)=C1F.Cl	D96324
OC1=CC=C2C(Br)=CC=NC2=C1	D87193
NNC(=O)CN1CCOCC1	D96327
CC1=CC(C)=NC(C)=C1[N+](=O)[O-]	D96328
O=C(CCl)C1=C(F)C(F)=CC=C1	D96329
CCOC(=O)NC1=NC=CC=C1	D96330
Br.NCC1=CC=CC(O)=C1O	D96331
CCOC(=O)C[C@@H](O)CC	D96332
CC1=CC=CC2=C1C(=O)C=CN2	D96337
CN1N=C(C(F)F)C=C1C(=O)O	D96338
COC1=C(F)C=CC=C1CCC(=O)O	D96339
CC1(C)OB(C2=CN=C(N3CCOCC3)C=N2)OC1(C)C	AT21786
O=C(O)CC1=COC=C1	D96340
O=C(O)CCCCCCCCCCCCCBr	D85273
CC1=CC(B(O)O)=C(C)C=C1C#N	D96343
CC1=CC(C)=C2C(=O)NSC2=N1	D96344
N#CC1=CN=C(Br)C(Cl)=C1	D96345
O=C(C[C@@H](CSC1=CC=CC=C1)C(=O)O)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1	AT21806
COC1=C(OC)C=C2C(=C1)CCN1C[C@H](CC(C)C)[C@@H](O)C[C@@H]21	AT21672
CC(C)(C)OC(=O)[C@H]1CCCNC1.Cl	AT21702
CN1CCC2=C(Br)C=CC=C2C1=O	AT21746
CC[C@@]1(O)C(=O)OCC2=C1C=C1C3=C(CN1C2=O)C1=C2C(=N3)C=C(F)C(C)=C2CC[C@@H]1N.CS(=O)(=O)O	AT21796
CN(C)C1=CC=CC(C(=O)O)=N1	AT21864
N#CC1=CC2=C(C=C(Br)C=C2)N1	D96347
CC1(C)OC2=C(C=C(CCC(=O)O)C=C2)O1	D96348
CC1=NC2=C(CCNCC2)N1.Cl	D85458
CC(C)(C)OC(=O)N1CC[C@@H]2NS(=O)(=O)C3=C(C=CC=C3)O[C@H]2CC1	D85295
O=C(O)C1=C(Br)C2=CC=CN=C2C=C1	D85327
CC(C)(C)OC(=O)N1CC[C@H]2C(C(=O)O)=NO[C@H]2C1	D85286
CC(C)(C)OC(=O)N1CCC2NC(=O)C2C1	D85287
C1=CC=C(CN2CCC3CCCOC3C2)C=C1	D85289
O=C1C2CCCCC1CN(CC1=CC=CC=C1)C2	D85308
NC1C2CCCC1CN(CC1=CC=CC=C1)C2	D85309
COC1=CC=C2N=C3C=C(Cl)C=CC3=C(N)C2=C1	D85361
CCOC(=O)C1=C2CN(C(=O)OC(C)(C)C)CCCN2N=N1	D85449
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](C(=O)O)C1	D85450
CC(C)(C)OC(=O)N1CC2=CC=CN2C[C@H](CO)C1	D85451
COC(=O)C1=CC2=C(CCN(C(=O)OC(C)(C)C)CC2)N=C1OS(=O)(=O)C(F)(F)F	D85452
Cl.O=C(O)C1=CN=C2CCNCCC2=C1	D85454
CCOC(=O)C1=C2CNCCN2N=C1	D85456
CC(C)(C)OC(=O)N1CC2=CN=CN2[C@H](C(=O)O)C1	D85461
O=C(O)C1=CC2=NC(Cl)=NC(N3CCOCC3)=C2S1	D85339
CCOC(=O)C1=CC=C2N=C(C)C=C(Cl)C2=C1	D85436
CCOC(=O)C1=CN2C(Cl)=NC3=C(C=CS3)C2=N1	D85441
O=CC1=COC2=C(Cl)C=CC=C2C1=O	D85352
COC1=C(OC2CCN(C(=O)OC(C)(C)C)CC2)C=C2C(=C1)N=CN=C2Cl	D85353
O=C(O)C1=NC(Cl)=CC2=CC=CC=C21	D85356
CCOC(=O)C1=C2N=C(Cl)C=CN2N=C1C	D85358
CCOC(=O)C1=C2C=CC=CN2C=C1	D85395
NC1=NC2=C(CCCN2)C(Cl)=N1	D85473
Cl.Cl.NC1=C(C2=C(F)C=CC=C2)NN=C1	D85538
CNC(=O)C1=CC(F)=C(C=O)C(F)=C1	D85707
CC1=C(C)C2=C(C=C1O)C(=O)CC2	D85480
CN([C@@H]1C2=C(C=CC(OCCCC(F)(F)F)=C2)OC(C)(C)[C@H]1O)S(C)(=O)=O	D85486
NC(=O)C1=CN=C(Cl)C=C1NC1=C(Cl)C=CC=C1	D85622
CC(C)(C)OC(=O)N1CC2=C(C3=COC=C3)N=NN2C[C@@H]1CO	D85495
CCC(CC)[C@@H](C1=CC=C(NC2=NC3=C(C=CC=C3)S2)C=C1)N1C=NC=N1	D85497
Cl.NC1CC1C1=C(F)C=CC=C1	D85587
O=C1NCCN(CC2=CC=CC=C2)[C@H]1C1=CC=CC=C1	D85589
O=C1NCCN(CC2=CC=CC=C2)[C@H]1C1=CC=CC=C1	D85590
CCOC(=O)C1=C(N)N=C(C)C=C1	D85758
O=C(O)C1=C(O)C=CC=C1/C=C/C1=CC=C(OCC2=CC=CC=C2)C=C1	D85668
O=C(NC1CCCCC1)C1=CC=CC=C1	D85671
OCC1CCC(CO)O1	D85677
C[C@H]1CCCC(=O)N1	D85681
COC1=CC(OC)=C(CNC(=S)NC(=O)OC(C)(C)C)C=C1	D85684
CC(C)(C)OC(=O)NC1CCC(N(CC2=CC=C(C(=O)O)N2)C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)CC1	D85696
N#C/C(=C\C1=CC=C(Br)C=C1)C(=O)O	D85720
O=C(O)[C@@H]1C[C@H](CP(=O)(O)O)CCN1	D85721
CCC1=CC(=O)NC=C1Br	D85725
CCOC(=O)C1=NC=C(C(=O)OC(C)(C)C)N1	D85894
CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)C1	D85896
CCOC(=O)C1=CC(Cl)=CC(C(=O)OCC)=N1	D85985
CC1=C(C)N=C(CN)C=C1	D85900
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1	D85935
CCCCC1=CC=CC(C(=O)O)=C1	D85937
CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(C)(C)C	D85950
CC1=C(Br)C=CC(Br)=C1C=O	D85952
C[C@H]1CC[C@H](C)N1.Cl	D85954
Cl.N[C@@H](CC1=C(F)C=C(O)C=C1)C(=O)O	D85955
C[C@H](NC(=O)OC(C)(C)C)C1=CC(C(=O)O)=CC=C1	D85956
C[C@H](NC(=O)OC(C)(C)C)C1=CC(C(=O)O)=CC=C1	D85958
O=C(O)[C@H]1C[C@@H]1C(=O)OCC1=CC=CC=C1	D85960
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1O.Cl	D85961
CC1(C)[C@H](N)C(=O)N1OS(=O)(=O)O	D86056
CC(C)(C)OC(=O)CCN1C=C(N)C=N1	D86058
C=C[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C	D85962
C=C[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C	D85963
COC1=CC=C([C@@H](N)C(F)(F)F)C=C1.Cl	D85967
COC(=O)C1=NC=C(C(C)(C)C)C=C1	D85975
O=C(N[C@H]1CCCC[C@H]1C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D85976
Cl.N[C@H]1CCCC[C@@H]1C(=O)O	D85978
O=C1CCS(=O)CC1	D86028
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)C(C)C.Cl	D86230
O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2	D86238
Cl.N[C@H]1CC2=C(C=CC=C2)N(O)C1=O	D86144
Cl.N[C@@H]1C(=O)NCCC2=C1C=CC=C2	D86155
COC(=O)C1=CC2=C(C=C1)N(C)C(=O)C=C2	D86158
CC(C)(C)OC(=O)N[C@@H]1C(=O)NCCC2=C1C=CC=C2	D86159
CCCCNC(=O)CCC	D86376
CC1=C(Br)C=CC2=C(C(=O)O)NN=C12	D86196
CC(C)(C)OC(=O)NC/C(=C\F)CBr	D86203
CCOC(=O)C1=C(C)N(C)C=N1	D86220
O=C1C=CC(Br)=CO1	D86222
CCCCC1=CC(C)=C(/N=C/NO)C=C1	D86262
CC12CC3(C)CC(C)(C1)CC(O)(C2)C3	D86263
CCCOC(=O)C(C)(C)N.Cl	D86266
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1	D86277
O=C(O)C1=C2C=CC=CN2C=C1C1=CC=CC=C1	D86298
C1=C2CNCCC2=NO1.Cl	D86309
C1=CC(C2=NOC3=C2CNCC3)=CC=N1	D86310
O=C(O)C1=NN2C=CC=CC2=N1	D86312
O=C1NC(=O)C2(N1)C1=C(C=CC(F)=C1)C1=C2C=C(F)C=C1	D86321
C[N+](C)(C)CCCCC(=O)[O-]	D86328
CC(C)(O)C1=CC=C(CN)C=C1	D86357
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C	D86366
CCOC(=O)[C@@H]1CCCN[C@@H]1C1=CC=C(NC(=O)OC(C)(C)C)C=C1	D86418
CC(=O)C1=CC(CS(C)(=O)=O)=C(OCC2=CC=CC=C2)C=C1	D86419
O=C(O)CC1=C(OC2=C(CC(=O)O)C=CC=C2)C=CC=C1	D86439
CC1=CC=C(C(=O)C/C(=N\C2=CC=C(S(N)(=O)=O)C=C2)C(F)(F)F)C=C1	D86453
Cl.N[C@H]1CC[C@H](C2=CC(Cl)=C(Cl)C=C2)C2=C1C=CC=C2	D86454
FC1=CC=C(C2=NC=C(Br)C=C2)C=C1	D86672
Cl.Cl.N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O	D86702
Cl.O=C1CCC2=C1C=NC=C2	D86734
C[C@H](NC(=O)/C(C#N)=C/C1=CC(O)=C(O)C=C1)C1=CC=CC=C1	D86748
CC(C)(C(=O)O)C1=C(F)C=CC=C1F	D86768
COC1=C(O)C=CC(C[C@H](NC(C)=O)C(=O)O)=C1	D86780
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1	D86877
COC1=CC(C(=O)O)=CC(C(F)(F)F)=N1	D86797
COC(=O)C1=CC(C(F)(F)F)=NC(OC)=C1	D86798
CN1CCC2(CC1)OC(C)(C)C1=C2C=CC=C1	D86799
CC1=CC2=C(C=CC(OCC3=CC=CC=C3)=C2F)N1	D86815
O=C1CCC2=C(C=C([N+](=O)[O-])C=C2)N1	D86902
CC(=O)[C@H]1CC2=C(C=C(F)C=C2)C1	D86830
FC1=CC=C(/C=C2/CCN(CC3=CC=CC=C3)CC2(F)F)C=C1	D86887
CC(C)(C)OC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F	D86888
CCCCCC(=O)N[C@H]1CCOC1=O	D86946
CCCCCCC/C=C\C(=O)O	D86947
CCCCCCCCC/C=C\C(=O)O	D86951
C=C1C(CC)(N2C(=O)C3=C(C=CC=C3)C2=O)C(=C)C(CC)(N2C(=O)C3=C(C=CC=C3)C2=O)C(=C)C1(CC)N1C(=O)C2=C(C=CC=C2)C1=O	D96349
O=[N+]([O-])C1=CC(C2=CC=NC=C2)=CC=C1	D96350
CN(C)C(=O)CC(C)(C)N	D96351
CCOC(=O)C1=C(C)C(=O)N(C)N1	D96352
O=C1CCC2=C1C1=C(C=CC=C1)N2	D96353
OC1=C(Br)C2=CC=CC=C2N=C1C1=CC=CC=C1	D92856
CC(C)(C)OC(=O)N1CCC[C@H]1C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1	D87112
CO[C@@H](C)C1=C(C(=O)O)C=NC2=CC(F)=NN21	D87114
C[C@H](O)C1=C(C2=CC(F)=CC=C2)C(=O)C2=C(F)C=CC=C2O1	D87116
CC(C)(C)OC(=O)N[C@@H](CC=O)C(=O)OC(C)(C)C	D87120
CC(C)(C)OC(=O)N1CC2CCC(C1)NC2	D87122
C=C[C@@H](N)CCC(=O)O.Cl	D87124
CN1CCN(C(=O)C2=CC3=CC=C(CCNC4=NC=NC5=CC=C(C#N)C=C54)C=C3C=C2)CC1	D87130
CC1=CC2=C(C=C3CCCC3=C2)C1	D96355
CC1=NC=C(CCO)S1	D96356
CC[C@H]1CCCC(=O)N1	D96357
CCOC(=O)C1=C(C(F)F)NN=C1	D96360
N#CC1=CC=C(N)C(I)=N1	D96362
C[C@@]12CCCN1CC1=NNC(=O)C3=C4C(=CC(F)=C3)NC2=C14	D87155
COC1=CC([N+](=O)[O-])=C(Cl)C(C)=C1	D96363
C1=CN2NCCCC2=N1	D96364
CC1(C)OB(C2=CC=C(C=O)C3=CC=CC=C23)OC1(C)C	D96365
C[C@H](N)C1=CC=C(C(C)(C)C)C=C1	D96366
O=P1(O)OC2=C(C3=CC=CC=C3C=C2[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C2=C(O1)C([Si](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=CC1=CC=CC=C12	D87601
CCCN1CCNCC1	D87901
CSC1=C([C@@H](N)CO)C=CC=C1	D96367
CC(=O)C1=CC2=CC=C(O)C=C2C=C1	D88173
O=C1N(O)C(=O)N(O)C(=O)N1O	D88003
CC1=C(Cl)C=CC(C=O)=N1	D88030
CC(=O)N[C@@H]1[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)O[C@@H](CO)[C@H](O)[C@H]1O	D88458
O=[N+]([O-])C1=CC=C(N2CC[C@H](N=C=S)C2)C2=NON=C12	D88585
CC(C)(C)C1=CC(/C=N/[C@H]2C[C@@H]3C[C@H]2C[C@@H]3/N=C/C2=C(O)C(C(C)(C)C)=CC(C(C)(C)C)=C2)=C(O)C(C(C)(C)C)=C1	D88946
NC1=CC=C2C=CC3=CC=C(N)C4=CC=C1C2=C34	D90004
C1=CC=C([C@@H]2CC[C@@H](C3=CC=CC=C3)N2)C=C1	D90151
C1CNCCNCCNCCNCCNCCN1	D91002
CC1=CC2=C3C=CC=CC3=CC=C2C=C1	D91348
COC(=O)C[C@@H](C)CCCCCCCCCCCCC1=CC=CC=C1	D91497
CC1=CC=C(S(=O)(=O)OC[C@@H]2O[C@H]3O[C@H]4[C@H](CO)O[C@@H](O[C@H]5[C@H](CO)O[C@@H](O[C@H]6[C@H](CO)O[C@@H](O[C@H]7[C@H](CO)O[C@@H](O[C@H]8[C@H](CO)O[C@@H](O[C@H]9[C@H](CO)O[C@@H](O[C@@H]2[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)C=C1	D91493
O=C(CCCCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O	D92276
O=C([O-])[C@H](CC1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1=O.O=C([O-])[C@H](CC1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1=O.O=C([O-])[C@H](CC1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1=O.O=C([O-])[C@H](CC1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1=O.[Rh+2][Rh+2]	D92484
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	D92524
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO	D92607
NC1=CC=C2CCOC2=N1	AT22072
O=C(O)C12CCC(CC1)C2	AT22106
CC(C)(C)OC(=O)N1CCC[C@H]1C1=C(Br)C=CC=C1	AT22169
Cl.O=C(Cl)C1=CC=C(OCCN2CCCCC2)C=C1	AT22331
COC1=CC2=CC=CC=C2C(C(=O)O)=C1	AT22270
COC(=O)[C@@H]1CC[C@H](O)C1	AT22316
COC1=C(C2(N3C[C@H](O)C[C@H]3C(=O)N(C)C)C(=O)NC3=C2C=C(Cl)C=C3)C=CC=C1	AT22444
O=C(O)[C@H]1C[C@@H]1C1=CC=CS1	AT22395
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1O	AT22409
C[C@H](O)CN(C)C	AT22519
BrC1=COC=N1	AT22646
C[C@H]1NCC[C@@H]1O.Cl	AT22501
FC1=C([C@@H]2COCCN2)C=CC=C1	AT22504
ClC1=NC=C2C=C(Br)C=NC2=C1	AT22563
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	AT22568
CC(C)(C)OC(=O)N1CCNC[C@@H]1CC#N	AT22572
CC1(C)C(=O)NC2=C1C=C(B1OC(C)(C)C(C)(C)O1)C=C2	AT22595
COC(=O)C1=C2N=CNC2=CC(Br)=C1	AT22705
Cl.N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O	AT22619
CC1=CNC2=C1C=C([N+](=O)[O-])C=C2	AT22651
C1=CN=C(SSC2=NC=CC=N2)N=C1	AT22667
FC1=CC2=C(C=C1)SC(Br)=N2	AT22785
C#CC(OCC)(OCC)OCC	AT22875
CC(C)(C)OC(=O)COC1CNC1.Cl	AT22970
CC(C)(C)OC(=O)N1C2CC(C2)[C@H]1C(=O)O	AT22906
CC1=CC=C(S(=O)(=O)O)C=C1.CC1=CC=C(S(=O)(=O)O)C=C1.NC1CN(CCCF)C1	AT22917
CC(C)(C)OC(=O)N1OCC[C@H]1C(=O)O	AT22925
BrC1=CC2=C(C=C1)N(C1CCCCO1)C=N2.BrC1=CC2=C(C=C1)N=CN2C1CCCCO1	AT23102
CC(C)(C)[C@@H]1CNCCN1.Cl.Cl	AT23138
CCOC(=O)C1=C(Br)C=CC(C2CC2)=N1	AT23354
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	AT23239
CC(=O)N1CC2(CC(N)C2)C1.Cl	AT23372
COC(=O)C1=CC(CO)=NN1C	AT23466
Cl.N[C@@H](C1CCC1)C(F)(F)F	AT23479
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=C(O)C1=C(C2=NC=CC=N2)C=CC(F)=C1	AT23427
COC(=O)C1=C(I)C=CC(C(F)(F)F)=C1	AT23434
CN1CCC(B(O)O)=CC1=O	AT23445
COC1=CC=C([C@@H]2SC3=C(C=CC=C3)NC(=O)[C@H]2O)C=C1	AT23455
CC(C)C(=O)CN.Cl	AT23528
COC1=C(C2=NC=CC(COC3=C(C[C@H](OC4=C5C(=NC=N4)SC(C4=CC=C(F)C=C4)=C5C4=C(C)C(Cl)=C(OCCN5CCN(C)CC5)C=C4)C(=O)O)C=CC=C3)=N2)C=CC=C1	AT23541
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
O=S(=O)(Cl)C1=NC(Cl)=NC(Cl)=C1	
CC(C)(C)OC(=O)NC1(C(=O)O)CC(=O)C1	AT23630
C[C@H](N)C1=CC(C(F)(F)F)=CC([N+](=O)[O-])=C1	AT23774
Cl.N[C@H]1CC[C@H]2[C@@H](C1)C2(F)F	AT23728
OC1CCC2(CC1)CC2(F)F	AT23759
Cl.O=C(O)[C@@H](C1=CC=CC=C1)[C@@H]1CCCCN1	D92883
COC(=O)C1=C(O)C=C(C(F)(F)F)C=C1	AT23903
BrC1=CC=C([C@@H]2CCO2)C=C1	AT23935
CC(C)(O)[C@@H]1CCCN1CC1=CC=CC=C1	D96370
CC1=CC(C)=NC2=C1C(=O)N(C(=O)C1=CC=C(Cl)C=C1)S2	D96371
ClC1=CC2=NC=C(I)N2N=C1	D92885
COC1=CC(C2=CC=NN2C)=CC=C1	D92894
CC(C)(C)OC(=O)N1CC[C@@H](C2CCCCC2)[C@H]1C(=O)O	D92895
COC(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1	D92827
CNC1CN(C2=C3OC4=C(CCC4)C3=NC(N)=N2)C1	D92836
COC1=CC2=C(C=C1)[C@@H](O)CNCC2	D92841
COC1=C(OC)C=C2C(=C1)N=C(N1CCN(C(=O)OCC3=CC=CC=C3)[C@H](C(=O)NC(C)(C)C)C1)N=C2N	D92950
CCCCCCCC[C@H](CC)CO	D92959
O=C1C2=C(C=CC=C2)SC2=C1C(NCCN1CCCCC1)=CC=C2CO	D92906
N[C@@H](CCC(=O)N[C@@H](CSC1=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1)C(=O)NCC(=O)O)C(=O)O	D92971
OC1=C2C=CC(Cl)=NC2=NC(C2=CC=CC=C2)=C1	D92979
NC(=O)CC1=CC(=O)OC2=C1C=CC(N)=C2	D92983
CC(C)CCCCCCCCCCCCCCC(=O)O	D92986
CCOCC1=NC2=C(C3=CC=CC=C3N=C2N)N1CCCN	D93007
C[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1	D93048
CC(C)CCCCCCC1=C(O)C=CC=C1	D93052
CCOC(=O)C1=C(C)NC(=O)N[C@H]1C1=CC(O)=CC=C1	D93118
O=C1C=CN(CC(=O)NC2=CC(O)=C(C(=O)O)C=C2)C(=O)N1	D93177
O=C=NC1=CN=C(OC2CCOCC2)C=C1	D93199
NC1=NN=CC(Cl)=C1N	D93204
O=C(O)C1=CNC2=CC(Cl)=C(F)C=C2C1=O	D93206
CCCCC1=NC2=C(C3=CC=CC=C3N=C2N)N1CC1=CC=C(CN)C=C1.Cl.Cl	D93129
COC1=CC(OC)=NC(N(C(N)=O)C2=C(C(F)(F)F)C=CC=N2)=N1	D93145
C=CCC[C@@H](O)CCC	D93149
COC(=O)C1=C(C2=CC=CS2)NN=C1C	D93152
C=CC(=O)NCCCCCNC(=O)CBr	D93223
CC(C)(O)CCOC(C)(C)C	D93320
O=C(O)C1=CC2=C(C=C1)NC1=C(C=CC=C1)S2	D93243
O=C(O)CN1CC2(CCCCC2)CC1=O	D93267
C[C@@H](CC1=CC=C(O)C=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	D93304
COC1=C(OC)C=C(CCN(C)CCCOC2=CC=C(S(=O)(=O)C3=C4C=CC=CN4C=C3C(C)C)C=C2)C=C1	D93346
CN1C=NC2=C1C(=O)N(C[C@H](O)CO)C(=O)N2C	D93355
NC1=NC=CC(I)=C1C(F)(F)F	D93368
C[C@@H](COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1.Cl	D93378
CCNC(=S)NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	D93383
C1=CC=C2C=C3C(=CC2=C1)OC1=CC2=CC=CC=C2C=C13	D93401
C1=CC=C2C(=C1)C=CC1=C2OC2=C1C=CC1=CC=CC=C12	D93402
O=C(O)C1=CC=CC(C2=CC=CC(NCCNC[C@H](O)C3=CC=CC(Cl)=C3)=C2)=C1	D93408
CC(C)(C)C1=C(C[C@H](N)C(=O)O)C(OCP(=O)(O)O)=NO1	D93409
C=C(C)C(=O)O[C@@H](C)CO	D93504
CC(C)[C@@H]1C2=C(C=C(F)C=C2)CC[C@]1(CCN(C)CCCC1=NC2=C(C=CC=C2)N1)OC(=O)C1CC1.Cl.Cl	D93437
COC1=CC(N(C)C)=CC(CN(C)CCC2=CC=C([N+](=O)[O-])C=C2)=C1O	D93454
CCOC(=O)[C@H](C)C1=CC=C(CCl)C=C1	D93480
N=C(N)NC1=CC=C(C(=O)OC2=CC=C(CC(=O)O)C=C2)C=C1	D93554
O=C1C2=C(C=CC=C2)C=CN1CCO	D93559
COC1=CC2=C(C=C1)C1=CC=NC3=C1N2C(=O)C=C3	D93564
CC[C@@H](C(=O)O)C1=CC=C(C=O)C=C1	D93493
O=C1CCCCCCCCC(=O)OCCO1	D93500
CCC[C@@H](CC(=O)O)C(=O)O	D93521
CC(=O)CC1=CC2=C(C=CC=C2)N1	D93534
CCOCCOC1=NN(C2=CC=C(NC(=O)C3=CC=CC([N+](=O)[O-])=C3)C=C2)C(C2=CC(OC)=CC=C2)=N1	D93644
CN(CCC1=CC(Cl)=C(Cl)C=C1)C[C@H](O)COC1=CC=C(NS(C)(=O)=O)C=C1.Cl	D93841
COC1=CC(Cl)=C(OC)C=C1NC(=O)C1=CC2=CC=CC=C2C(/N=N/C2=C(OC)C=CC(C(=O)NC3=CC=CC=C3)=C2)=C1O	D93848
CC1(C)CC(NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1	D93879
CC1=C(C2=CN=C(NCC3=C(F)C=CC4=C3CCO4)N3C=NN=C23)C=CC=N1	D93894
C=CC(=O)N[C@@H]1C=C(C)C2=C(C3=CC4=CC=CC=C4N=C3)C3=C(N)N=CN=C3N2C1	D93895
CC1=CC(C(N)=O)=CN=C1C(F)F	D93982
COC1=C(OC)C([C@H](C)NC2=C(S(C)(=O)=O)C=CC(N3CCNCC3)=C2)=CC(Cl)=C1.Cl	D93986
O=C(CCl)C1=CC(O)=CC(O)=C1	D94022
NCC1=C(CCC2=CC=CC=C2)C=CC=C1	D94052
COC1=CC(N2CCC(O)CC2)=C(F)C=C1N	D94370
CO[C@@H](CCC1=CC=CC=C1)CC(=O)C1=CC=CC=C1	D94309
COC(=O)C1=C2N=C(C3=C(O)C=CC=C3)OC2=CC=C1	D94313
CCCCC1=CC(=O)CCC1	D94147
COC(=O)C1=NC(C)=C(Br)C=N1	D94148
CCOC(=O)C1=C(Br)N=C(C)S1	D94151
COC1=C(NC(=O)NC(C)(C)C)C=CC(B2OC(C)(C)C(C)(C)O2)=C1	D94162
CCN1C(C2=NON=C2N)=NC2=C1C(CNC1CCNCC1)=CN=C2.Cl.Cl.Cl.Cl	D94224
CCCCN(CCCC)C1=NC(=O)NC(=O)N1	D94301
O=NN(CCN(CC(=O)O)N=O)CC(=O)O	D94305
CN1CCC(C2=NC=C(C3=CN=C(N)C(OCC4=CC(C#CC(C)(C)O)=CC=C4)=C3)S2)CC1	D94418
O=C1OCCOCCOC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C2=CC=C1C=C2	D94336
NC1=C2CCNC(=O)C2=NN1	D94339
CC(C)(C)OC(=O)NC1=NC2=C(B(O)O)C=CC(F)=C2S1	D94348
OC1CNCCC1C(F)(F)F	D94356
COC1=CC(N2CCC(N(C)C)CC2)=C(F)C=C1N	D94368
O=S(=O)(NC1=CC=CC2=CC=CN=C21)C1=C(F)C=C(F)C=C1	D94379
O=C(O)C1=C(Cl)C=CC(S(=O)(=O)NC2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)=C1	D94404
CC1=C(NC(=O)C2=C(Cl)C=CC(S(=O)(=O)NC3=NC=CC=C3)=C2)C=CC=C1	D94406
COC1=NN(C)C(C)=C1	D94422
O=C(O)C1=C(O)C(F)=NC=C1	D94423
NC(=O)C1=C(O)C=CC(S(=O)(=O)NC2=CC=CC(Br)=C2)=C1	D94429
CC1=CC(=C(C#N)C#N)C2=C(C=CC=C2)O1	D94524
COC1=CC2=C(C=C1)N(O)C(=O)[C@@H](O)O2	D94538
CC1=CC(C)=C(S(=O)(=O)NC2=CC(C(F)(F)F)=CC=C2)C(C)=C1	D94594
CC1=C(NC(=O)C2=CC=CC(NC(=O)NC3=CC=CC(C(=O)NC4=C(C)C=CC(C(=O)NC5=C6C(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=CC6=C(S(=O)(=O)[O-])C=C5)=C4)=C3)=C2)C=C(C(=O)NC2=CC=C(S(=O)(=O)[O-])C3=CC(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=C23)C=C1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]	D94781
CC(O)C(O)C1C=NC2=C(N=C(N)N=C2O)N1	D94803
NCCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	D94870
O=C(O)CCCCN(CCC1=C(OCC2=CC=C(CCC3=CC=CC=C3)C=C2)C=CC=C1)CC1=CC=C(C(=O)O)C=C1	D94958
Cl.O=C(O)C1=C(S)C=CC=N1	D94966
IC1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(N(C3=CC=CC=C3)C3=CC=CC=C3)=N2)=CC=C1	D94981
CC1=CC(N2CCOCC2)=CC2=C1N=C(C1=C(NC[C@H](O)C3=CC=CC(Cl)=C3)C=CNC1=O)N2	D94990
CC(C)(C)OC(=O)N1CCC12CCC(O)CC2	D95208
CC(=O)N1C[C@@H]2C[C@H]1CN2	D95210
CC(=O)C12CC1CN(C(=O)OC(C)(C)C)C2	D95212
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O	D95120
NCC(=O)N1C[C@H](NC(=O)C2=CC=CC=C2)C[C@H]1C(=O)O	D95155
NC(=O)C1=C(Cl)N=C(Cl)N=C1N	D95167
CC(C)(C)OC(=O)NCC1=C(C#N)C=CC=C1	D95180
NC1=C(Cl)C=C([N+](=O)[O-])C(F)=C1	D95187
O[C@H]1CCOC2=CC(F)=CC(F)=C21	D95193
CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)O)C1	D95194
O=C(O)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	D95195
OC1CC2(CC2)C1	D95196
O=C(O)C1CCC(C(F)(F)F)C1	D95197
CC1=CC(Cl)=C2C=NN(C)C2=N1	D95200
C[C@]1(O)CCCCNC1	D95213
CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CO	D95215
CC(C)(C)OC(=O)NC[C@]1(F)CCCNC1	D95219
CC1(NC(=O)OC(C)(C)C)CC(O)C1	D95225
CC(C)(C)OC(=O)N[C@]1(C)C[C@@H](O)C1	D95226
NC1=C(Cl)C=CN=N1	D95227
C[N+]1=CC=C(C2=CC=CC=C2)C=C1.[I-]	D95477
CC1=NC2=C(C=CC=C2O)C(=O)N1	D95563
C1=CN2CCNCCC2=N1	D95483
O=C(NC12CNCC[C@@H]1C2)OCC1=CC=CC=C1	D95500
C=CCN1C[C@@H](C2=CC=C(Br)C=C2)[C@H]1C#N	D95502
CC1(C)COC(C2=C(Cl)C=C(Br)C=C2)=N1	D95504
O[C@H]1CCC[C@H](N(CC2=CC=CC=C2)CC2=CC=CC=C2)[C@@H]1O	D95511
CC1=NC(COC2=CC=C(C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3CO3)C=C2)=CS1	D95518
O=C1C[C@H](C2(C3=CC4=C(C=C3)OCO4)SCCCS2)CO1	D95519
CC1=CC=C(S(=O)(=O)[O-])C=C1.COC1=CC=C(C2=CN=C(C3=CC=[N+](CCOC4=CC=C(N=C=S)C=C4)C=C3)O2)C=C1	D95870
CCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N1CCOCCOCCOCCN(C(=O)COCC(=O)NCCCCCCCCCCCCCCCCCC)CCOCCOCC1	D95876
COC1=C(OC)C=C(C[C@H](C)O)C=C1	D95877
CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@@H](C)[C@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC	D96064
O=[N+]([O-])C1=CC2=NC(C3=CC=CC=C3)=C3C=C([N+](=O)[O-])C=CC3=C2C=C1	D95983
CCCCN(CCCC)C(=S)COCCOCC(=S)N(CCCC)CCCC	D95985
O=C(O)CCCCCCCCCCCNC1=CC=C([N+](=O)[O-])C2=NON=C12	D95992
C1=CC=C(CCN2CCCC2)C=C1	D95994
CC1=CC=C(C2=NNC(=O)CC2)C=C1	D96027
CC[C@H](N)C1=CC=CC(C#N)=C1	D96377
OC1=C(I)C=C(I)C(O)=C1I	D96030
C[C@H](N)CC1=C(F)C=CC=C1.Cl	D96033
CN(C)C1=C2C=CC(C(=O)N[C@@H](CS(=O)(=O)NS(=O)(=O)C3=CC=CC4=C(N(C)C)C=CC=C34)NCCN)=CC2=CC=C1	D96047
N#CCN1CCCC2=C1C=CC=C2	D96075
O=C(O)CC1=C(OC(F)(F)F)C=C(F)C=C1	D96293
COC1=C(C(CC(=O)O)CC(=O)O)C=CC=C1	D96372
OC1=CC(F)=CC(Br)=C1F	D96236
C[C@H](N)C1=CC=C(C2=CC=CC=C2)C=C1	D96378
CC(C)C1=CC=C([C@H](C)N)C=C1	D96379
N#CC1=CC=C2C=C(O)C=CC2=N1	D96381
CCOC(=O)C1=C(O)C2=CC=CN=C2N=C1	D96382
FC(F)C1=CC=CC(Br)=C1CBr	D96258
BrC1=NN2CCCNC2=C1	D96492
COC(=O)C1=CC2=C(N=CS2)N=C1	D96402
O=CC1=C2C=CNC2=CN=C1	D96535
Cl.Cl.NCCC1=CC2=C(C=C1)NN=C2	D96525
CC(C)(C)OC(=O)N1CC2C(Br)C2C1	D96527
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](F)C1	D96530
CC1(CBr)CC1	D96531
N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O	D96533
COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C	D96537
COC(=O)[C@]1(OC)C[C@H](N)C1.Cl	D96538
COC(=O)[C@]1(OC)C[C@@H](N)C1.Cl	D96539
CO[C@H]1CCC[C@H](N)C1	D96542
CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)O	D96544
OC[C@H]1CC2=C(C=CC(F)=C2)CN1	D96580
CC(C)C1=C([C@@H](N)CO)C=CC=C1	D96380
CC[C@H](N)C1=CN=C(OC)C=C1.Cl.Cl	D96415
CC(C)[C@H](N)C1=CC=C(C(F)(F)F)C=C1	D96417
C[C@H](N)C1=CC=C(OC(F)F)C=C1	D96420
Cl.N[C@H]1CCOC2=C1C=C(Cl)C=C2	D96421
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1=C(C(F)(F)F)C=CC=C1	D96424
CC1=CC([C@@H](N)C(=O)O)=C(F)C=C1.Cl	D96425
O=C(O)[C@@H](C1=CC=CC=C1)N1CC2=C(C=CC=C2)C1=O	D96428
COC1=CC(N2CCN(C)CC2)=CC=C1	D96429
CCOC(=O)C1=C(Cl)C2=C(F)C=C(F)C=C2N=C1	D96430
CC(C)OC1=CC=C([C@H](C)N)C=C1	D96432
C[C@H]1CNC2=C(C=CC=N2)O1	D96433
C[C@H](N)C1=CC2=C(C=C1)CCCC2.Cl	D96436
C[C@H](N)C1=CN=C(Cl)C=C1.Cl.Cl	D96437
CC(C)(C)OC(=O)N[C@@H](CC1=CC(N)=CC=C1)C(=O)O	D96445
C#CC1=C(N)C=CC([N+](=O)[O-])=C1	D96446
CC(C)(C)OC(=O)NNC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D96447
COC(=O)C1=COC2=C1C=CC(O)=C2	D96448
C[C@H](N)C1=CC2=C(C=C1)CCCC2	D96449
CC1=C([C@@H](N)C2=CC=NC=C2)C=CC=C1	D96453
CC1=NC=C([C@H](C)N)C=C1	D96455
C[C@H](N)C1=CC(C(F)(F)F)=NC=C1	D96456
COC1=C(F)C=CC([C@@H](N)CO)=C1	D96458
CC1=CC(C)=C([C@@H](N)CO)C(C)=C1.Cl	D96384
CCC1=CN=C(Cl)C(CO)=C1	D96385
CCOC(OCC)N1C=NC(C)=C1	D96386
CC1CC2=C(C=C3CCCC3=C2)C1O	D96387
O=S(=O)(O)C1=CC2=CC=CC=C2C(O)=C1	D96388
NC1=CC=CN=C1CC(=O)O	D96389
C[C@H](N)CC1=CC=CC(Cl)=C1	D96393
CC1=CC([C@@H](N)CO)=C(F)C=C1	D96394
O=C(NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1)C1=CC=CC=C1	D96395
O=C1CNC(=O)[C@H](C2=CC=C(Cl)C=C2)N1	D96397
CC1(C)C=NC2=CC=CC(C(=O)O)=C21	D96398
CCOC(=O)CC1=NC2=C(C=CC(C(F)(F)F)=C2)S1	D96399
COC(=O)C1=C2C(Br)=C(C)C=CN2N=C1	D96400
COC(=O)C1=C2C=C(C)C(Br)=CN2N=C1	D96401
CC(C)(C)OC(=O)NC1=C(C(N)=O)N=CC=C1	D96403
CC1=CC=CC(NC(=O)OC(C)(C)C)=C1[N+](=O)[O-]	D96404
C[C@H](N)C1=CC(Br)=CN=C1	D96410
C=CC(=O)OC1=C(C2=C(OC(=O)C=C)C=CC3=CC=CC=C32)C2=CC=CC=C2C=C1	D96413
FC(F)C1=CC=C([C@@H]2CCCCN2)C=C1	D96467
FC(F)C1=CC=C([C@@H]2CCCCN2)C=C1	D96468
C[C@H](N)C1=C(OCC(F)(F)F)C=CC(F)=C1.Cl	D96470
CCOC(=O)C1=NC(C2=CC=CC=C2)=CC=C1	D96471
COC(=O)C1=C([C@@H]2CCCN2)C=C(F)C=C1.Cl	D96473
CC(C)C[C@H](O)CC(=O)O	D96477
OC[C@H]1C[C@H]2[C@@H](C1)C2(F)F	D96503
FC(F)(F)C1=NNC2=C1N=C(Cl)C=C2	D96501
OC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F	D96502
COC(=O)C1CCC(C(N)=O)CC1	D96547
O=C(O)C1=C(F)C(Cl)=NC=N1	D96548
CC(C)(C)OC(=O)N1CC[C@@H]2NC[C@@H]21	D96553
CC(=O)C1=CN=C(N2C=C(F)C=N2)C=C1	D96554
NC1=CC(I)=NC=C1	D96556
CC(C)(C)OC(=O)N1CCC[C@H](O)CC1	D96511
CC(=O)NC12CC(C(C)(C)C)(C1)C2	D96514
CNC12CC(C(F)(F)F)(C1)C2.Cl	D96515
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1N.Cl	D96518
N#CC1=CNC2=CC(F)=CN=C12	D96523
CCOC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C	D96524
COC(=O)CC1[C@@H]2CN(C3=CC(C(F)(F)F)=NC(Cl)=N3)C[C@H]12	D96585
COC(=O)CC1[C@@H]2CN(C3=CC(C(F)(F)F)=NC(N4CC[C@@H]4C)=N3)C[C@H]12	D96586
BrC1=CC=C([C@@H]2CNCCO2)C=C1.Cl	D96641
COC(=O)CC12CC(CCO)(C1)C2	D96729
OC1CCC2(CCO2)CC1	D96732
O=C(N[C@H]1CC[C@@H]1C(=O)O)OCC1=CC=CC=C1	D96733
CC(C)(C)OC(=O)N[C@H]1C[C@@](O)(C(F)(F)F)C1	D96735
Cl.OCCCC1CNC1	D96736
CC(C)(C)OC(=O)N1CC2(CC[C@@H]2N)C1.Cl	D96737
BrC1=C(I)C2=C(N=C1)NC=C2	D96742
CC(C)(C)OC(=O)NC1[C@@H]2CNC[C@H]1C2	D96743
Cl.NC1CC(C2=CC=CC=C2)C1	D96745
Cl.N[C@H]1C[C@@H](C2=CC=CC=C2)C1	D96746
CC(=O)C1=CC2=C(C=C1)CCN(C(=O)OC(C)(C)C)CC2	D96747
O=C1COC[C@@H](C2=CC=C(C(F)(F)F)C=C2)N1	D96645
O=C1COC[C@@H](C2=CC=C(C(F)(F)F)C=C2)N1	D96647
CO[C@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12	D96589
Cl.O=C1CC2(CCCNC2)C1	D96593
CC(C)(C)OC(=O)NC1=C(F)C=C(N)C(F)=C1	D96595
NC1=C(Br)C=NC(C(F)(F)F)=C1	D96557
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC(F)(F)C1	D96559
COC(=O)N[C@@H]1COC2=C(F)C=C(F)C=C2C1	D96563
O=C(N[C@@H]1CCC[C@H](O)C1)OCC1=CC=CC=C1	D96565
CN1C2COCC1CC(N)C2.Cl.Cl	D96568
N#CC1=CC(OC2=C(C(F)F)C3=C(C=C2)S(=O)(=O)C(F)(F)[C@@H]3O)=CC(F)=C1	D96570
O[C@H]1CC[C@@H]2C[C@H]12	D96571
CC1=NC(Cl)=CC(Br)=C1N	D96573
OC1CC(C2=CC=CC=C2)N2N=C(Br)N=C12	D96574
CC1=NN(C(C)(C)C#N)C=C1[N+](=O)[O-]	D96575
OCC1=CC(Br)=CC(Br)=N1	D96598
O=[N+]([O-])C1=CN=C2CCC3(CC2=C1)OCCO3	D96599
CC1=C([N+](=O)[O-])C(O)=C(Br)C=N1	D96601
CC1=C([N+](=O)[O-])C(Cl)=C(Br)C=N1	D96602
NC1=CC=C(F)N=C1I	D96603
FCCOC1=NC=CC(Br)=C1	D96604
COC(=O)C1=C(C)C(=O)NC(=O)N1	D96606
O=C(N[C@@H](CC1=C2C=CNC2=CC=C1)C(=O)O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2	D96610
Cl.NC1CCCC(F)C1	D96615
O=C(O)[C@H]1CC[C@H](OC(F)(F)F)CC1	D96625
O=C(O)[C@H]1CC[C@@H](OC(F)(F)F)CC1	D96626
C#C[C@H]1CC[C@H](OC(F)(F)F)CC1	D96628
COC(=O)C1CNC(C)CN1C(=O)OC(C)(C)C	D96652
CS(=O)(=O)C1=C(C#N)C(C(F)F)=C(OC2=CC(F)=CC(C#N)=C2)C=C1	D96653
CC(C)(C)OC(=O)NCCCC(=O)C1=C(F)C=CC(F)=C1	D96829
Cl.Cl.Cl.N[C@@H]1C2=CC=CN=C2CC12CCNCC2	D96837
C[C@H]1C[C@@H](C(=O)O)N1	D96843
C1=CN=C([C@H]2CCCNC2)C=C1.Cl.Cl	D96846
O=C(O)C12CCC(CC1)O2	D96759
CC(C)(C)OC(=O)N1C2CCC1(C(=O)O)COC2	D96760
O=C1CC2(CCCCC2C(=O)O)CCN1	D96855
N#CC1=CC(OC2=C(C(F)F)C3=C(C=C2)S(=O)(=O)CC3=O)=CC(F)=C1	D96654
N#CC1=CC(OC2=C(C(F)F)C3=C(C=C2)S(=O)(=O)C(F)(F)[C@@H]3O)=CC(F)=C1	D96655
O=C(O)C1(C2=CC=C(C(F)(F)F)C=C2)COC1	D96661
CC(C)(C)OC(=O)N[C@H]1CCC12CC(N)C2	D96664
O=C1COC12CCC2	D96666
O[C@H]1COC12CCC2	D96667
COC(=O)C1=C(Br)C=CN1N	D96668
O=C1COCC2=C1C=CC(C(F)(F)F)=C2	D96670
O=C1CC2=C(N=CC=C2O)N1	D96675
O=C(O)[C@H]1C[C@H](C(F)F)C1	D96682
COCC12CC(N)(C1)C2.Cl	D96683
COC(=O)C1=CNC2=C1C=C(OC)N=C2	D96684
COC1=C2OCCCC2=C(Br)C=C1	D96685
COC1=C2OCCC2=C(Br)C=C1	D96686
CC1(O)CCC(NC(=O)OC(C)(C)C)C1	D96688
CN[C@H]1CCCOC1.Cl	D96690
O=CC1=CC=C2C(Cl)=NC(Cl)=NN12	D96694
O=C1CC[C@H](OCC2=CC=CC=C2)C1	D96699
COC(=O)C1=CC2=C(N=C(C)C=C2)N1	D96700
O[C@H]1CCOC2=CC(F)=CC(F)=C21	D96701
COC(=O)C1=NC=C(C)C=C1N	D96703
OCC1C2(CC2)C12CC2	D96704
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2=CC=CC=C2)C[C@H](C(=O)O)C1	D96706
O=C1CCC2=NC=C([N+](=O)[O-])C=C2C1	D96707
C[C@H]1CC2=C(C=CC=C2)CN1	D96708
C[C@H](N)C1=CN=C(N2C=C(F)C=N2)C=C1.Cl	D96710
O=C(O)[C@H]1OCC12CNC2	D96711
CC(C)(C)OC(=O)N1CC(C(C)(C)CN)C1	D96713
COC1(CBr)COC1	D96716
Cl.O=C1COC2(CNC2)C1	D96719
CC(C)(C)OC(=O)N[C@@H]1COC2(CNC2)C1	D96720
OC[C@@H]1COC2(COC2)C1	D96721
CC(C)(C)OC(=O)N1CC2(C[C@@H](N)CCO2)C1	D96722
CN(C)C1(C(=O)O)COC1	D96724
CC(C)(C)OC(=O)[C@H]1C[C@@H](C(=O)O)C1	D96750
C[C@H]1CCC(=O)CN1C(=O)OC(C)(C)C	D96752
CC(C)C1=NC=C(N)S1	D96767
CC(=O)OCC12CC(CO)(CO1)C2	D96768
OC1CCC(C(F)(F)F)C1	D96771
C1C[C@H]2CN[C@@H]1CO2.Cl	D96774
C1C[C@H]2CN[C@@H]1CO2.Cl	D96775
CC[Si](C#CC1=CCCCC1)(CC)CC	D96877
CC(C)(C)OC(=O)N1C2CC1CN(C1=NC=C(B3OC(C)(C)C(C)(C)O3)C=C1)C2	D96962
O=S(=O)(Cl)CCC(F)F	D96788
Cl.FC(F)(F)C[C@H]1CCNC1	D96789
O=C(O)C12CCCC1C2	D96790
COC(=O)[C@@H]1CCCCS1	D96792
CC1CCC1C(=O)O	D96793
Cl.N#CC1=CC=CC([C@@H]2CNCCO2)=C1	D96794
Cl.OC12CNCCC1C2	D96795
Cl.Cl.NCC1(N)CCC1	D96796
ClC1=NN2C=CC(Br)=C2C=N1	D96798
ClC1=NC2=C(CCCC2)N=C1Cl	D96801
FC1=C(C2CNC2)C=CC=C1	D96803
CN1CC(C)(N)C1	D96804
CN1CC2(CNC2)OC1=O	D96805
CNS(=O)(=O)[C@H]1CCNC1.Cl	D96807
Cl.NCC[C@H]1CCOC1	D96809
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(F)(F)O2	D96813
CC(C)(C)OC(=O)N1CC[C@H](C2CNC2)C1	D96814
CC(C)N1CCC[C@H]1C(=O)O	D96817
COC1(C(=O)O)CCC1	D96819
N[C@@H]1COC2=C(F)C=C(F)C=C2C1.O=C(O)[C@@H](O)[C@H](O)C(=O)O	D96825
O=C(OCC1=CC=CC=C1)N1CC[C@H](Br)C1	D96826
CC(C)(C)OC(=O)N1CCO[C@H](C2=CC=C(Br)C=C2)C1	D96858
Cl.Cl.N[C@H]1CC[C@H](N)C1	D96861
C#CC1(O)CCC1	D96869
Cl.NNC1=C(C(=O)O)C=C(F)C=C1	D96915
O=C(OCC1=CC=CC=C1)N1C[C@H]2C=C[C@@H]1C2	D96916
COC1=CC(Br)=C2C(=O)CCCC2=C1	D96918
ClC1=CC2=C(C=N1)C(I)=NN2[C@@H]1CCCCO1	D96920
BrC1CCCC1Br	D96921
CC(C)(O)C1=CC2=NN(CCS(C)(=O)=O)C=C2C=C1NC(=O)C1=NC(C(F)(F)F)=CC=C1	D96922
CSC1=C(O)C=CC(C2=CC=C(O)C=C2)=C1	D96923
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O	D96870
O=C(O)C[C@H]1CCCN(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C1	D96874
O=C(O)C[C@H]1CCCN(C(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C1	D96875
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN[C@H]1C2	D96964
O=C(OCC1=CC=CC=C1)N1C[C@@H]2C(CO)[C@@H]2C1	D96999
COC(=O)C12CC(N)(CO1)C2	D97005
OCC12COC(C1)C2	D97007
CC(C)(C)OC(=O)N1C2CCC1CSC2	D97012
CCC1=CC(O)=C(F)C=C1C1=CC(F)=C2C(=C1)NN=C2C1=NC2=C(CNCC2)N1.Cl.Cl	D96878
NC1=CC=C(N2CC3(COC3)C2)C=C1	D96880
C/N=C(/NC#N)NCCSCC1=C(CO)N=CN1	D96882
COC(=O)C1=CC=C([C@@H]2CC(=O)CCN2C(=O)OCC2=CC=CC=C2)C=C1	D96972
CC1=CC(Br)=C(C=O)C2=C1N(C(=O)OC(C)(C)C)C=C2	D96973
COC(=O)C1=C2C=CC(O)=C(F)C2=CC=C1	D96974
CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H](O)C1	D96977
O=C(O)[C@@H]1CC2(CCOCC2)CN1	D96981
C[C@H]1NCCC[C@@H]1O	D96985
C[C@H]1NCCC[C@@H]1O	D96986
CN1C=C(Br)C(N2CCCC2)=N1	D97033
CC(C)C1=NC=C(C#N)O1	D96889
N#CC1=CC(OC2=C(C(F)F)C3=C(C=C2)S(=O)(=O)C(F)(F)[C@@H]3O)=CC(F)=C1	D96890
Cl.NC[C@H]1C[C@@H]1C1=CC=CC(F)=C1	D96892
CC(C)(C)OC(=O)N1CCN[C@H](C2CCC2)C1	D96896
O[C@H]1CNCC12CC2	D96898
O[C@H]1CNCC12CC2	D96899
CC1CNC(=O)C1(C#N)C1CC1	D96901
CC(C)(C)OC(=O)N1CC[C@H]1C1CNC1	D96909
COC(=O)[C@@H]1CCO1	D96911
FC1=CC=C(Br)C(I)=N1	D96928
O=CC1=C([N+](=O)[O-])C=CC(F)=C1Br	D96929
N#C[C@]1(C2COC2)CCNC1=O	D96931
CC(=O)CC(=O)O[C@H]1CCCN(CC2=CC=CC=C2)C1	D96932
CC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1	D97058
CC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1	D97059
O=C1NCCC2=C(Cl)N=C(Cl)N=C12	D97062
Cl.Cl.O=C(O)[C@@H]1CN2CCN1CC2	D97063
BrCC1CC2(COC2)C1	D97064
CC1=C(B2OC(C)(C)C(C)(C)O2)C2=C(C=C1)C=NN2C	D96939
O=CC1=CN=C(C(F)(F)F)C=C1O	D96940
CN[C@H]1C[C@H](NC(=O)OCC2=CC=CC=C2)C1	D96941
CC1=C(Br)C2=CN=CN2C=C1	D96943
CC1=C(Br)N2C=NC=C2C=C1	D96946
ClC1=NC=C(Br)N2C=NN=C12	D96948
CCOC(=O)C1=NC2=C(C(Cl)=N1)N(C)C=C2	D96950
N#CC1=CC=CC2=C1C=C(C(=O)O)S2	D96952
O=[N+]([O-])C1=CC(OC2CC2)=C(Br)C=C1	D96955
O=C1NN=CO1	D96956
COC(=O)C1=CN=C(F)C=C1N	D96958
Cl.O[C@H]1CNCC1(F)F	D96959
NC1=C(Cl)C(CO)=CC=C1	D96960
CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@H](C2=CC=C(C(=O)O)C=C2)C1	D96971
CC(C)(C)OC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1	D97037
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@@H]1O	D97038
CC1=C(Br)C2=NN(C)C=C2C=C1	D97040
CC1=CC2=C(C=NN2)C(Br)=C1Cl	D97041
C[C@@H]1[C@@H](N)CCCN1C(=O)OC(C)(C)C	D97111
CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N	D97113
OC[C@H]1CC1(F)F	D97114
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C	D97115
COC1(C#N)CNC1.Cl	D97116
O=C(O)C1=NNC2=C1C=CC(Cl)=N2	D97118
COC(=O)C1=C(NC(=O)C2=CC=CC(C(F)(F)F)=N2)C=C2C=NNC2=C1	D97013
CC(C)(C)OC(=O)N1C2CC=C(C(=O)O)C1CC2	D97014
N#CCC1(C#N)CC1	D97019
Cl.NC[C@H]1C[C@@H]1C1=CC=CC(F)=C1	D97020
O[C@H]1CCCC1(F)F	D97023
F[C@@H]1C[C@@H](C2=CC=CC=C2)N2N=C(Br)N=C12	D97025
CC1(C)OB(C2=CN(CCOCC3=CC=CC=C3)N=C2)OC1(C)C	D97030
FC1=NC2=C(C=C1)NN=C2	D97051
CC1=C(Br)C=CN2N=CC=C12	D97052
Cl.NC(=O)[C@@H]1CC[C@@H](N)CO1	D97069
OC12CCC(F)(CC1)CC2	D97070
COC(=O)C1=CC=CN2N=CN=C12	D97134
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CN	D97135
CC(C)(C)OC(=O)N1CC2(CCC(CC(=O)O)CC2)C1	D97136
COC(=O)[C@H]1CCC12CN(C(=O)OC(C)(C)C)C2	D97137
CC(C)(C)OC(=O)N1CC2(CC[C@@H]2C(=O)O)C1	D97138
Cl.O=S1(=O)CCCC2(CNC2)C1	D97078
CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)O)C2)C1	D97080
O=C(O)[C@@H]1CC[C@H](O)C1	D97082
O=C(O)[C@H]1OCCC1(F)F	D97083
CN1CC[C@H](N)[C@@H](F)C1.Cl.Cl	D97090
CC(C)(C)OC(=O)N1CC2COCC(C1)C2CN	D97092
CN1C=C([C@@H](NC(=O)OC(C)(C)C)C(=O)O)C=N1	D97094
CC(C)(C)OC(=O)N1[C@@H](CN)C[C@H]2C[C@H]21	D97096
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CN	D97097
OC[C@H]1C[C@@H]1C1=CC=C(Cl)C=C1	D97098
FC1(F)C[C@H]2CNCCN2C1	D97100
CC(C)(C)OC(=O)N1CCOC2(CC(=O)C2)C1	D97108
CN1C2CNCC1COC2.Cl.Cl	D97119
CNC1CC(C(F)(F)F)C1.Cl	D97121
CC1=C(C)C2=NC(Cl)=NC(Cl)=C2N1	D97122
CN1CCNC2(COC2)C1	D97123
COC(=O)C12CC(C3=CC=CC=C3)(C1)C2	D97125
CCOC(=O)C12CC(N)(C1)C2.Cl	D97126
CC12CC(C(N)=O)(C1)C2	D97129
C[C@]1(CO)C[C@@H](N)C1.Cl	D97130
CC(C)C1=NC(N(C)S(C)(=O)=O)=NC(C2=CC=C(F)C=C2)=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	D97190
C[C@]1(O)CCCNC1.Cl	D97149
COC(=O)C1CC2CC1CN2	D97154
CCOC(=O)CC12CC(N)(C1)C2	D97155
NC1=CC(O)=CC2=CC=CC=C12	D97229
C1CCC(=NN=C2CCCCC2)CC1	D97244
Cl.NCC1=CC2=C(C=C1)C(=O)N([C@H]1CCC(=O)NC1=O)C2	D97252
O=[N+]([O-])C1=CC2=C(C=C1)NC=C2C(F)(F)F	D97258
CC(=O)N1CCC2CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C3=CC=CC=C3)C3=CC=CC=C3)N2C(=O)[C@@H](NC(=O)C2=CC3=C(C=CC(C(F)(F)P(=O)(O)O)=C3)N2)C1	D97268
NC(=O)CC[C@H](NC(=O)[C@@H]1CCC2CCN(C(=O)CCCCCC#CC3=C4CN(C5CCC(=O)NC5=O)C(=O)C4=CC=C3)C[C@H](NC(=O)C3=CC4=C(C=CC(C(F)F)=C4)N3)C(=O)N21)C(=O)NC(C1=CC=CC=C1)C1=CC=C(P(=O)(O)O)C=C1	D97269
CN(C)C1=CN=C(Cl)C=C1Cl	D97275
N#CC1=CNC2=C(Br)C=NC=C12	D97297
C[Si](C)(C)C#CC1=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C1C#C[Si](C)(C)C	D97749
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]	D97754
NC(=S)CF	E70025
O=C1C=C(Br)C2=C(C=CC=C2)O1	E70006
BrC1=CC=C(CCCCCCCC2=CC=C(Br)C=C2)C=C1	E70009
O=C([O-])C1=C/C(=N/NC2=CC(S(=O)(=O)[O-])=C(C3=C(S(=O)(=O)[O-])C=C(N/N=C4\C=CC(=O)C(C(=O)[O-])=C4)C=C3)C=C2)C=CC1=O.[Na+].[Na+].[Na+].[Na+]	E70091
CC(C)(C)OC(=O)N1CCN(CCCOC2=CC=C3N=CC=C(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)C3=C2)CC1	E70123
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)OCC3=CC=C([N+](=O)[O-])C=C3)=C(OP(=O)(OC3=CC=CC=C3)OC3=CC=CC=C3)[C@@H](C)[C@H]12	E70125
COC(=O)C1=CC2=NC(N)=CC=C2C=C1	E70147
C1=CC(C[C@H]2CCCNC2)=CO1	E70161
CC(C)C1=CC(C2=C3C=CC=CC3=CC3=CC=CC=C32)=CC(C(C)C)=C1Br	E70164
CC[C@@](O)(C1=CC([N+](=O)[O-])=CC=C1)C(F)(F)F	E70172
NC1(C2CCNCC2)CC1	E70177
CC(=O)C1=C(Br)CCCC1	E70182
COC1=C(C)C=CC(OC2=CC=C(N)C=C2)=C1	E70183
CC1=CC=C(OC2=C(F)C=C(N)C=C2)C=C1	E70187
COCC1=C(Br)CCCC1	E70189
C[C@@](O)(C1=C(N)C=CC=C1)C(F)(F)F	E70192
COC1=C(N)C=CC(N2CCC(C(F)(F)F)CC2)=C1	E70196
CN1C(=O)C=CC(B2OC(C)(C)C(C)(C)O2)=C1Cl	E70200
COC(=O)[C@H](N)C1=C(C)C(C)=CC=C1	E70207
CC1=CC=CC(CCl)=C1F	E70216
ClC1=NC=C(I)C2=NC=CN12	E70228
CC1=CC2=C(N)C=CC=C2N=C1	E70238
COC1=CC(/C=C/C2=CC=C(N)C=C2)=CC(OC)=C1OC	E70241
CC1=C(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)C=CC=C1	E70243
N#CCC1(N)CC1	E70249
COC1=CC(CO)=C(C(=O)O)C=C1	E70274
CC(C)(CO)CC1CCNCC1	E70277
COC(=O)CC1=CC(C)=C(Br)C=C1F	E70282
N#CC=C1CCSCC1	E70285
O=C(OCCOC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CC=C1)C1=CC(C(=O)C2=CC=CC=C2)=CC=C1	E70289
COC(=O)C1=CC2=C(C=C1)CCC1=C(C=C(C(=O)OC)C=C1)CC2	E70290
COC(=O)[C@H]1C=C[C@@H](N)C1.Cl	E70292
O=C(O)C1(C(=O)NC2=C(F)C=CC=C2)CC1	E70296
Cl.ClC1=CN=C2CNCC2=C1	E70352
CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)NCCN	E70310
C[C@]1(O)CCC[C@@H]1NCC1=CC=CC=C1	E70325
NC1=CC=C(C(C2=CC=C(N)C=C2)C2=CC=C(O)C=C2)C=C1	E70326
O=C(O)[C@@H]1CC(C2=CC=CC(Cl)=C2F)=NO1	E70327
O=C(O)C1=CC=C2C(Cl)=NC(Cl)=NN12	E70336
CS(=O)(=O)C1=CC(C[C@H](N)C(=O)O)=CC=C1	E70370
[N-]=[N+]=NC[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)O	E70383
C=CC[C@@H]1O[C@H](C[C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O	E70401
CC(=O)C1=CC2=C(C=C1)C(=O)NC=N2	E70414
CCC1=CNC(C(=O)O)=C1	E70419
CC1=NC(CC(=O)O)=CO1	E70433
ClC1=NC2=C(N=C1)C1=C(C=CC3=CC=CC=C31)O2	E70438
C#CC1=CN(CC2CCOCC2)N=C1	AT24089
COC(=O)C1=NNC2=CC(Cl)=NC=C21	AT24072
FCC1(CBr)COC1	AT24081
O=C(O)C1(C(F)(F)F)CC(F)(F)C1	AT24199
O=C(O)C1=CC(F)=C(C(F)(F)F)N=C1	AT24234
O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2	AT24389
C#CCOC1=C(O)C=CC(C(=O)O)=C1	AT24390
CC(C)(C)OC(=O)N1CCN[C@H](C(C)(C)C)C1	AT24400
OC[C@H]1CN(CC2=CC=CC=C2)CCN1CC1=CC=CC=C1	AT24329
C#CCOC1=C(C(=O)O)C=CC(O)=C1	AT24379
CC(C)(C)OC(=O)N1CC2CC1C2C(=O)O	AT24455
C[C@H](O)C1=CC=CC(S(C)(=O)=O)=C1	AT24461
Cl.Cl.ClC[C@H]1CN(CC2=CC=CC=C2)CCN1CC1=CC=CC=C1	AT24472
N#CC1CCN1.N#CC1CCN1.O=C(O)C(=O)O	AT24531
O=C(O)C1=C(OC(F)(F)F)C=CC=N1	AT24643
O=CC1=NN(CC2=CC=CC=C2)C=C1	AT24690
CC(C)(C)OC(=O)N1CCC2=C(C1)C(B1OC(C)(C)C(C)(C)O1)=CC=C2	AT24706
C[C@H]1[C@@H](O)CN1C(C1=CC=CC=C1)C1=CC=CC=C1	AT24719
C[C@@H]1NC[C@@H]1F.Cl	AT24721
OC[C@H]1COC2=CC=CC(Br)=C2O1	AT24804
OC[C@H]1COC2=CC=CC(Br)=C2O1	AT24805
CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1	AT24846
O=C(O)C1=C2CCCN2N=N1	AT24859
COC1=C(I)C(I)=C(O[C@@H]2CCCCO2)C=N1	AT24865
COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C	AT24872
COC(=O)C1=C(Br)C=C(C)N=C1	AT25160
CN(C(=O)C1=CC=CC=C1)C1=CC=CC(C(=O)NC2=C(Br)C=C(C(F)(C(F)(F)F)C(F)(F)F)C=C2C(F)(F)F)=C1F	AT25214
CCOC(=O)[C@@H]1CCON1.Cl	AT25326
O=C(O)C1=CC=C(C2=NC=CO2)C=C1	AT25328
BrC1=C(Br)C(Br)=C(I)C=C1	AT25272
CC1=COC(C(=O)[O-])=N1.[Na+]	AT25441
CN[C@H]1CC[C@@H](N)CC1	AT25392
CC1=CC(F)=C(C=O)N=C1	AT25473
O=S1(=O)CC[C@H](O)C2=C1C=CC=C2	AT25658
C[C@H](N)C1=CN=CN=C1.Cl.Cl	AT25776
C[C@@H]1CN([C@H]2CC[C@](C#N)(C3=CC=C(F)C=C3)CC2)CC[C@]1(C(=O)O)C1=CC=CC=C1.Cl	AT25912
O=C(O)CCCCC1=CC=NC=C1	AT26198
COC1=CC(B(O)O)=C(C(=O)O)C=C1	AT25989
C#CC1(N)CCOCC1.O=C(O)C(F)(F)F	AT26006
CC1=CC=C(C2(C3=C(F)C=C(O)C=C3)COC2)O1	AT26034
CC(C)N1CCNC[C@@H]1C.Cl.Cl	AT26058
CC(C)(C)OC(=O)CN1CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1	AT26059
CON1CCNCC1	AT26084
CC(=O)[C@H]1CC[C@H](N)CC1.Cl	AT26085
CC(C)(C)OC(=O)N1CC(=O)C2=C(C=C(Br)C=C2)C1	AT26210
C[C@H](N)C1=NNC=C1.Cl	AT26569
CN1C[C@@H](N)CCC1=O.Cl	AT26867
C[Si](C)(C)C[C@H](N)C(=O)O	AT26519
CCN1N=CC=C1O	AT26527
OC1=C(C2=CSC(N3CCOCC3)=N2)C=CC(F)=C1F	AT26770
C#CC1=CN(C2CCN(C(=O)OC(C)(C)C)CC2)N=C1	AT26706
COC(=O)C1=CC2=C(C=C1)CCNC2=O	AT26880
Cl.N[C@H]1C[C@@H](C(F)(F)F)C1	AT26785
O=C(O)[C@@H](O)CC1CC1	AT26814
CC(C)(N)CC(=O)N1CCOCC1.Cl	E71887