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CC(C)CN1CC[C@]2(C1)CCCN(C2)C(=O)C3=CC=NC=C3	0
[O-]S(=O)(=O)C(F)(F)F.CCCCCC[N+]1=CC=CC=C1	0
BrC(Br)C(Br)(Br)Br	0
C1=CC(=C(C(=C1)F)C(NC2=NN=CS2)NC3=NN=CS3)F	0
OC(=O)CCCCCCCCCC(O)=O	0
CCCCC\C=C\C=C\C=O	0
C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2)C(=O)/C=C/C4=CC=CC=C4	1
C1=CC=NC(=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br	1
C1CN(CCC12CN(C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)F	0
CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl	0
CC1CCC2=C3N1C4=C(C=C(C(=C4)C#N)C#N)OC3=CC=C2	1
CC1=C(C(=NO1)C)C2=CN=CN=C2N(C)CC3=CC=CO3	1
CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N	0
CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C	0
CCOP(=O)(OCC)SCCSCC	0
COC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)N)N)OC	0
C1=CC=C(C=C1)C(=O)NC2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)C(F)(F)F	1
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O	0
NCCNCCNCCNCCN	1
OC1=CC(Cl)=CC(Cl)=C1	0
CN1C=NC2=C1C(=O)N(C)C(=O)N2C	1
COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=C(C=C3OC)OC	0
C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)O)O3	0
NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl	0
CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC4=C(C=C3)OCO4	1
CN(C)[C@@]2([H])C(O)=C(C(=O)[C@@]3(O)C(O)=C1C(=O)C=4C(C(=C)[C@@]1([H])[C@@](O)([H])[C@@]23[H])=C([Cl])C=CC=4O)C(N)=O	0
C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl	0
COC(=O)/C=C\\C1=C(C=CC(=C1)O)O	1
CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)Cl	1
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\\C#N)/S(=O)(=O)C4=CC=C(C=C4)C	1
CCOC(=O)CC	1
COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)Cl)CCC#N	0
CCN1CCN(CC1)CC(=O)N2C(CC3=CC=CC=C32)C.C(=O)(C(=O)O)O	0
CCCCOC1=CC=C(C=C1)C(=O)NCC2=CC=CO2	1
CC[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	0
CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	0
[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O	1
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Br	1
COC1=CC=CC=C1N	0
CC(=NNC1=NC=NC2=C1NC=N2)C	0
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O	0
C[C@@H](C1=CN(N=N1)[C@@H](CC2=CC=CC=C2)CO)O/N=C\\C[C@@H]3C=C[C@@H]([C@@H](O3)COC(=O)C)OC(=O)C	0
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-])C	1
CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)N)[N+](=O)[O-])F	1
CC1=CC(=C(C=C1)C)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C	1
CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O	0
CC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@H]2COC(=O)NCC3=CC=CC4=CC=CC=C43)CC=C	1
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCCCC1	1
CC(C)NC(=O)C1=C(N)C=CC=C1	0
CC1=CC(=C(C=C1)C)/C(=N\\N=C(N)N)/C2CC2	0
CC(=O)C1=C(CC2C1C2(C)C)NC(=O)C3=CC=C(C=C3)F	1
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](/C=N\\OC[C@@H](C)[C@@H](C(C)C)OCC2=CC=CC=C2)[C@H](C)/C=C\\CC(=O)OC	1
C1=CC=C(C=C1)C(=C(CC(=O)O)C#N)C2=CC=CC=C2	0
C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN	0
CCOCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=CC=C2)Br	1
CC(OC(C)=O)OC(=O)C(C)C1=CC=C(C(F)=C1)C1=CC=CC=C1	1
CC1=NC2=CN=C(N=C2N(C1=O)C3=CC=CC=C3)N(C)C	0
CN1C=CC=C1C(=O)N2CCC3(CCN(CC3)C4=CC=CC(=C4)C5=CC=CC=C5)CC2	0
NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1	1
S=C1SCN(CC2=CC=CC=C2)CN1CC1=CC=CC=C1	0
C1CC(C1)CN2CC[C@@]34[C@@H]5[C@H](CC[C@@]3([C@@H]2CC6=C4C(=C(C=C6)O)O5)O)O	0
COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O	0
COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC=C3)NC4=CC(=CC=C4)OC	0
COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1	1
CO/C1=C/C(=CC(OC)=C1OC)C(=O)N2CCOCC2	1
COC1=CC=C(C=C1)CSC2=C(C(=O)NC3(S2)CCCCC3)C#N	0
COC1=CC=C(C=C1)NC(=O)N2CC3(C2)CCN(CC3)C(=O)C4=CC=CO4	0
CCCCC1=C2CCCCC2=C(C(=O)N1)C#N	0
FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1	0
CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1	0
Cl.NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1	0
CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F	0
NC1=CC=C(OC2=CC=C(N)C(N)=C2)C=C1	0
OC(=O)CNC(=O)C1=CC=CC=C1	1
C[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C([C@@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	0
NC1=NC(NC2CC2)=NC(N)=N1	0
CN=C(N)NCCC[C@@H](C(=O)O)N	0
CCCOCC(C)OCC(C)O	0
O[C@@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCCN=C1\C=C\C1=C(C)C=CS1	1
C[C@@H](CC1=CC(=CC=C1)C(F)(F)F)NCCCC2=CC=CC=C2	1
COCC(=O)N1CCC[C@]2(C1)CCN(C2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	0
C[C@@H]1[C@H]2CC[C@H]3[C@@]2(CC[C@@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C	0
[Cl-].[Cl-].C[N+](C)(C)CC[N+]1(C)CC2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2C1	0
COC1=CC=CC=C1N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4	1
COC1=CC(C)=C2C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C(NC(C)CCCN)C2=N1	1
C[C@@H](O)[C@H](N)C(O)=O	1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=N4)CC5=C(C=C(C=C5)Cl)Cl	1
OCCCCCCO	1
CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)NCCCOC(C)C	1
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)NC(=O)[C@@H](O)CCN)OC[C@]1(C)O	1
CC1=CC[C@H](CC=O)C1(C)C	1
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1	0
NC(=O)CC1=C(N)C(=CC=C1)C(=O)C1=CC=CC=C1	1
CSC1=NC(=CC(=N1)Cl)N(CCO)CCO	0
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C21F	0
CC1=CC(=NC(=C1C(=O)N)NC(=O)NC2=CC=CC=C2)C	0
CN1CCC2=C([C@@H]1C3=CC=CC=C3F)C4=C(N2C)CCN([C@H]4C5=CC=CC=C5F)C.Cl	0
CC1=NC2=CN=C(N=C2N(C1=O)C3=CC=CC=C3)N4CCN(CC4)C	0
CC(C)C1=CC=CC(C(C)C)=C1N	0
C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42	1
COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)CC(=O)NNC(=O)C4=CC=C(C=C4)Cl	1
C1=CC(=CC=C1[C@@H](C(=O)O)N)C(=O)O	0
CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl	0
CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CS3)C4=CC=CC=C4	0
[Br-].CCCCCCCCCCN1C=C[N+](C)=C1	0
C1COCCN1C(C#N)(C2=CC=CC=C2F)C3=C(C=C(C=N3)C(F)(F)F)Cl	1
C[C@]12CN(C[C@@]1([C@@H]3CC[C@@H]2O3)C)CC[N+](C)(C)C	0
CN(C)C1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CC=C3)CC4=CC=CS4	0
COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O	1
CC1=NN2C3=CC=CC=C3C(=O)NC2=C1	0
CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1	1
COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1	0
CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]	0
CN1C2=C(C=C(C=C2)/C=N/N3C=NN=C3)N(C1=O)C	1
CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC4=C(S3)CCCC4	1
COCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)O	1
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=C)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O	1
CC(=CCC/C(=C/CO/N=C\\1/C[C@H]([C@H]([C@H]2[C@@H]1CC[C@H]3[C@H]2C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)O)O)/C)C	0
CC\C=C/C#N	1
CC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OC	1
OC(=O)C1=C(C[S][C@@]2([H])N1C(=O)[C@@]2([H])NC(=O)C/C3=C/C=C[S]3)C[S]C=4N=CNN=4	0
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2	0
CCC(=O)N(/C1=C/C=C(/[Cl])C([Cl])=C1)[C@@]2([H])CCC[C@@]2([H])N(C)C	1
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)Cl.[Na+]	0
CN1CCC(CC1)=C3C2=CC=CC=C2CCC=4[S]C=CC3=4	1
CCCCCC(O)\C=C\C=O	1
CCOC(=O)CSCC(C(=O)OCC)NC(=O)OC(C)(C)C	1
CC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C4=CC=CC=C4C=C3)O	0
CON/C=C(\\C=NC1=CC=CC=C1)/C2=C(C=C(C=N2)C(F)(F)F)Cl	1
CC1(C)CCC(CC1)NC(=O)[C@@H](N)CCC(O)=O	1
CCCCNC(=S)NNC(=O)C1=C(C=CS1)C	1
CCCC(=O)OC	0
CCCCCCCCCCCCCC=O	0
OC1=C(C=CC2=C1C=CC=C2)C(=O)OC1=CC=CC=C1	0
C[C@@]([H])(NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2	1
COC1=C(OC)C=C(CNCC(O)COC2=CC=C3NC(=O)C=CC3=C2)C=C1	1
CC1=C(C=CC(=C1)Cl)OCC(=O)N/N=C/2\\CCCC3=CC=CC=C32	0
COC(=O)CCCCCCCCC(=O)OC	1
BrC1=CC=C(OC2=CC=CC=C2)C=C1	0
CCN(CC)C[C@H](C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O	0
CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCOC	1
COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1	0
CN1CC[C@]2(C1)CCCN(C2)C(=O)C3=CC=CO3	0
COC(=O)CC(C)(C)C=C	1
C1CSC2=NC=C(C(=O)N21)C(=O)NCC3=CC=CC=C3	1
C=CCOC1=CC=CC(=C1)/C=N/NC(=O)C(=O)NCC2=CC=CO2	0
CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCOCC3	0
CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	0
C[C@@](CC1=CC=C(C=C1)O)(C(=O)O)N	0
C[C@@H]([C@@H](C1=CC2=C(C=C1)OCO2)OCC(C)C)Br	1
FC(F)(F)C1=CC(CC#N)=CC=C1	1
FAIL	0
[Na+].CCC1(CC)C(=O)NC([O-])=NC1=O	1
C1C[C@@H]2[C@@H]([C@@H]3[C@H]1/C(=N\\NC(=O)OCC4=CC=CC=C4)/C[C@H]([C@H]3O)O)C(=O)N(C2=O)C5=C(C=C(C=C5)F)F	0
CCCC/C1=N/C([Cl])=C(CO)N1C/C2=C/C=C(C=C2)C3=CC=C/C=C3/C4=N/N=NN4	0
CCSCC	0
CC1=CC(=CC=C1)NC(=S)N	0
[Cl]C=3C=NN(CCCCN1CCN(CC1)C2=NC=CC=N2)C=3	1
CC(C)NC(=O)N1CC2(C1)CCN(CC2)C(=O)C3=CC=NC=C3	0
COC1=C(C=C(C=C1Cl)Cl)CNCCNCCO.Cl	0
CCCCCCCCN1C=C(C(=O)NC1=O)C(=O)C	1
OC1=C(C=C(C=C1C1CCCCC1)[N+]([O-])=O)[N+]([O-])=O	0
CC(C)C1=CC=C(O)C=C1	0
CCC(=O)O[C@@]1(CCN(C)C[C@@]1(C)[H])C2=CC=CC=C2	1
C1COCCN1CCC(=O)NC2=CC=CC=C2	1
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl)N4C=CC=C4	1
C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1	0
NCCCNCCSP(O)(O)=O	0
C/C=C\\C1=C([C@@H]([C@@H]2[C@H]([C@@H]1O)O2)O)CO	0
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC	1
CCOC(OCC)P(=O)(CCCNCC1=CC(=C(C=C1)Cl)Cl)O	0
CC(=O)NC1=CC=C(C=C1)C(=O)CCl	0
C(CC1=CC=NC=C1)CC1=CC=NC=C1	0
N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1	0
COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]	0
CC(C)C1=C(NC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC	1
CC[C@@]([H])(O/C1=C/C=CC=C1)C(=O)N[C@@]2([H])C(=O)N3[C@@]2([H])[S]C(C)(C)[C@@]3([H])C(O)=O	0
C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4)C(=O)N	0
CC(C)(C)NC[C@@](O)([H])C1=CC=C/C=C1/[F]	1
OCC1(CO)COC([H])(OC1)C([Cl])([Cl])[Cl]	1
C1CN(CCN1C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4	1
NC1=C(N)C=C(C=C1)[N+]([O-])=O	0
CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)Cl)C#N	1
CCOP(=S)(OCC)OC1=CC=C(C=C1)S(C)=O	0
CC1=C(C(=CC=C1)C)OC[C@H](C)N	0
CC1=CC=CC(C)=C1NC(=O)C1=CC=C(N)C=C1	1
CN1CCN(CC1)C2=NC=NC3=C2C=C(C=C3)C4=COC=C4	0
CN1CCCC2(C1)CCN(CC2)C(=O)OC3=CC=CC=C3	0
CCCCCCCCCCCCCC(=O)OCC	1
C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N	0
C[C@H]1COC(=O)[C@H](NC(=O)C/C=C\\[C@@H]([C@@H](COC1=O)OC)C)C	0
COC1=NC=C2C(=N1)N(C(=O)C(=N2)CCC3=CC=CC=C3)CCC4=CC=CC=C4	1
C1CCC2=NN=NN2CC1	0
COC(=O)[C@]1([C@H]2C(=C)C(=O)C=C2CN1C(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)F	1
COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O	0
CCN(CCN)C1=CC(C)=CC=C1	0
CCN1CCC[C@@]1([H])CNC(=O)C2=CC(=C/C=C2/OC)[S](N)(=O)=O	1
CC(=O)N1CCC2(CCN(CC2)CC3=NC=CS3)CC1	0
CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO	1
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C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCC(=O)O)C(F)(F)F	0
Cl.CC1(C)OC[C@@H](COC(=O)CCC2=CC=C(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)C=C2)O1	1
Cl.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O	0
CCOC(=O)C1CCCN(C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-]	1
C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O	0
CN1CCC2=C[C@@H]([C@H]3[C@H]([C@H]21)C4=CC5=C(C=C4C(=O)O3)OCO5)OC	0
S=C1NCCN1	0
CC(C)CC(C)=NO	0
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3	0
ClCCOCOCCCl	0
CC1=CC=CC=C1C2=CN=CN=C2NCCC3=CNC4=C3C=C(C=C4)OC	1
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCCN2CCN(CCO)CC2)C=C1	0
COC1=CC=C(C=C1)N2C3=NC=NC=C3N=C(C2=O)C4=CC=C(C=C4)F	0
CC(=O)\C=C\C1C(C)=CCCC1(C)C	0
CC1=CC=C(C=C1)N2C=NC(=O)C3=C2N=CC=C3	0
C1COCCN1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCOCC4	0
CC(C)[C@@H](C1=NN=C(O1)SCC2=CC=C(C=C2)Cl)N.Cl	1
COC(=O)N1CCC2(CC1)CN(C2)C(=O)NC3=CC(=CC=C3)F	0
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3	0
COC1=CC=C(C=C1)C2=N[N+](=C(C=C2)N)CCCC(=O)O	0
COC1=CC=CC(=C1)C2C3(C2(C(N=C3N)(OC)OC)C#N)C#N	1
CCN(CC)CCC[C@@](C)([H])N/C1=C/C=NC2=CC([Cl])=CC=C12	0
[F]/C1=C/C=C(C=C1)C(=O)CCCN2CCN(CC2)C4=CC3=CC=CC=C3C=N4	1
CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O	1
COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCC4=CC(=C(C=C4)O)O)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=C(C=C7)F	1
CCN1C(=C(C(=N1)C(=O)NC2=CC=CC=C2C)Cl)Cl	0
CC(=O)O[C@@]6([H])C(=O)[C@@]2(C)[C@@](O)([H])C[C@@]1([H])OC[C@@]1(OC(C)=O)[C@@]2([H])[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@@]7(O)C[C@@]([H])(OC(=O)[C@@](O)([H])[C@@]([H])(NC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C(C)=C6C7(C)C	0
C([C@H](C(=O)O)N)C(=O)O	0
C=COC=C	1
CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC	0
OC(=O)CCC=C	1
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3	0
C1COCCN1C2=C(C=CC=N2)[N+](=O)[O-]	0
C=CCN1CC[C@]23[C@H]4C(=O)CC[C@@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O	0
CCOC1=CC=C(NC(=S)NC2=CC=C(OCC)C=C2)C=C1	1
C1CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)F)CN(C1)C4=CC=CC=C4	1
C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC4=C3N=CC=C4	1
CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C	0
CCCCCCCCCCCCSC#N	0
C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2	0
OCCN(CCO)C1=CC(Cl)=CC=C1	0
OC1OCCOC1O	1
CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3CCCC3	1
CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC=C1[N+](C)(C)C)C(=O)OC2=CC=CC=C2[N+](C)(C)C	0
CCC(C)(O)C#C	0
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.C(CNC1=NC2=CC=CC=C2S1)COC1=CC(CN2CCCCC2)=CC=C1	0
CS(O)(=O)=O.CC1=CC=C2N3CCNC4CCCC(=C34)C2=C1	0
C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O	1
C1C[C@@]2(CCN(C2)C3=CC=NC=C3)CN(C1)C(=O)C4=CSN=N4	0
CC(C)NC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O	0
CC(C)([H])CCC[C@@](C)([H])[C@@]3([H])CC[C@@]4([H])[C@@]2([H])C[C@@]([Br])([H])[C@@]1([Br])C[C@@]([H])(CC[C@@]1(C)[C@@]2([H])CC[C@@]34C)OC(C)=O	1
CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4N(C3=O)CC(=O)O)C(=C(O2)N)C#N	0
COC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CS3	1
COC1=C(C=O)C=CC=C1	0
CC(C1=CC=NN1S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC=C3	1
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O	0
CC1=CC=C(C=C1)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)N	1
CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl	0
O=NN1CCOCC1	0
CC[S](=O)(=O)C(C)(C)[S](=O)(=O)CC	1
CS(=O)(=O)OCCCCOS(C)(=O)=O	0
O[C@@H]1COC(O)[C@H](O)[C@H]1O	0
CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3	1
COC1=CC=C(\C=C\C(=O)NC2=C(C=CC=C2)C(O)=O)C=C1OC	0
COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC=CO3	1
Cl.NCCCC(N)(C(F)F)C(O)=O	1
CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)OC	1
COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3CC3	0
C1=CC(=CC=C1CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O	0
CC(C)(C)CC1(CC=C)C(=O)NC(=O)NC1=O	1
CC(C)(C1=CC=C(OC2=CC3=C(C=C2)C(=O)OC3=O)C=C1)C1=CC=C(OC2=CC3=C(C=C2)C(=O)OC3=O)C=C1	1
CN(C/C2=C/N=C1/N=C(/N)N=C(N)C1=N2)C3=CC=C(C=C3)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O	0
[Ni++].[CH-]1C=CC=C1.[CH-]1C=CC=C1	0
C1CC2(CCN(CC2)C(=O)C3=CC(=CC=C3)F)CN(C1)C4=CC=NC=C4	1
COC1=C(C2=C(C=C1)C(=CN=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53)O	1
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C	0
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)/C=C\\C4=CC=CC=C4)O)O	0
CC(=CC1=CC=CC=C1)[N+]([O-])=O	0
CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3	0
CN1CC[C@@H]2CN3CCC4=C3C(=CC=C4)[C@H]2C1	0
CN1CC[C@]2(C1)CCCN(C2)S(=O)(=O)C3=CC=CC=C3	0
CCNC(=S)NNC(=O)CC1=CC=CC=C1	0
CC(C)CC(=O)NC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCC4=CC=CC=C4C3	1
CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)NCC4=CC=CO4	1
CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O	0
CC(=O)[C@@]4([H])CC[C@@]5([H])[C@@]3([H])C[C@@](O)([H])[C@@]12C[C@@]1([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]45C	1
C1=C(ONC1=O)CN	0
CCOC1=CC=C(C=C1)/C=C/C2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)CSC4=NNC(=N4)N	1
COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C4	0
CCCCOC(=O)C1=CC=CC=C1N	0
CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F	0
ClC\C=C\CCl	0
CCOC(=O)OC1=C(OC)C=C(C=C1OC)C(=O)O[C@@H]1C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC	0
CCCCCCCCCCCC=C	1
C[C@H](C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O	0
CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C\\C(=O)O	0
CC(=C)CC(C)(C)C	1
COC1=CC=CC=C1CNC2=NC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5	1
[C@@H]1([C@H]([C@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O	0
C1C[C@@]2(CCN(C2)CC3=NC=CS3)CN(C1)S(=O)(=O)C4=CC=CC=C4	1
CC(=NCC1=CC=CC(=C1)CN)N	0
CCOCCO	0
CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=C(F)C=CC=C1	0
[H][C@@](C)(O)[C@]([H])(CC)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@]2([H])CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1	0
CC1=C2C=C3C=CC4=C5C(C=CC(C2=CC=C1)=C35)=CC=C4	0
CO/C2=C/C=1OC(=O)C(C)=C(C)C=1/C=C2/OCCCN3CCN(CC3)C4=CC=C/C=C4/OC	1
CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C	0
C1=CC=C2C(=C1)N3C=CC=C3[C@H](N2C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CN=CC=C5	0
CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)C1=CC=CC(OC)=C1	0
C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CN=CC=C4	0
CC1=CC2=C(C=C1)N=C(N2)/C(=C\\C3=CC=C(C=C3)OC(=O)C4=CC=CS4)/C#N	1
C1=CC=C(C=C1)C(=O)N/C(=N/C(=O)N)/N	0
C(OC1=CC=C(C=C1)C(C(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1)C1CO1	0
CC1=CC2=C(CCCCN2CC/C(=N/OC)/C)N=C1C	0
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C	1
CC1=CC2=C(CCCCN2C[C@H](C)O/N=C\\[C@H]([C@H](C)/C=C\\CC(=O)OC)OC)N=C1C	0
COC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)Br	0
CC1=CC2=C(CCCN2CC/C(=N/OC)/C)N=C1C	0
CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1	0
C1=CC=C(C=C1)CCN2C(=O)C=NC3=CN=C(N=C32)OC4=CC=CC=C4	1
C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O	1
CSC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O	0
CCN(CC)C(=O)N[C@@]2([H])CN(C)[C@@]1([H])CC3=CNC4=CC=CC(C1=C2)=C34	1
C1CC2(CCN(CC2)C(=O)C3=CC=NC=C3)CN(C1)C(C4=CC=CC=C4)C5=CC=CC=C5	1
C[C@H]1COC(=O)C/C=C\\[C@@H]([C@H](COC(=O)C/C=C\\[C@@H]([C@H](COC1=O)OC)C)OC)C	0
CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C(\\C(F)(F)F)/OC(=O)C)/C4=O)C)C	0
CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCOC)N5CCOCC5	0
CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2	0
CO[C@@]3([H])O[C@@]2([H])O[C@@]4(CN1CCCCC1)[C@@](O)([H])C[C@@]([H])([C@@]2(C)[H])[C@@]34[H]	1
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC	0
CC3(C)[S][C@@]1([H])N(C(=O)[C@@]1([H])NC(=O)[C@@](N)([H])C2=C/C=C(/O)C=C2)[C@@]3([H])C(O)=O	0
CC1=CC(C)=C(C)C=C1	0
FAIL	0
C[C@@H]1OC[C@H]2[C@@H](O1)[C@H]([C@@H]([C@H](O2)O[C@H]3[C@@H]4COC(=O)[C@@H]4[C@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	0
CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O/N=C\\2/C[C@H]([C@H]([C@H]3[C@@H]2CC[C@H]4[C@H]3C(=O)N(C4=O)C[C@@H]5CCCO5)O)O)OC(=O)C)OC(=O)C)OC(=O)C	0
COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC4=C3C=C(C=C4)C5=CN=CC=C5	1
CCCCN1C(=O)C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4	1
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N	0
CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3	1
CC(C)(C)CNCCO	0
CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2C(=O)O)C	0
CCOC(=O)C1=C(NC(=C([C@H]1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	1
COC(=O)N1CCC2(CC1)CN(C2)C(=O)NC3=CC=CC=C3	0
COCCN1CNC(=NC1)NC2=NC3=CC=CC=C3O2	0
C1CC2(CCN(CC2)C(=O)OC3=CC=CC=C3)CN(C1)C4=CC=CC=N4	1
COC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)OC)OC	1
C1=CC=C(C(=C1)C2=CN=CN=C2NCC3=CN=CC=C3)C(F)(F)F	1
CCCCCCCCCCCCCCSCC(=O)O	0
CS(C)(=O)=O	0
COC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4CCNCC4	1
CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C.C[C@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O	1
COC1=C(C=CC(=C1)CCN)O	0
CC(=C)[C@H]1[C@@H]2[C@@H]3[C@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C	0
COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1	0
O=C1NC(=O)C2=CC=CC=C2O1	1
C1CC(OC1)CNC(=O)CSCC2=C(C=CC=C2Cl)F	1
CCN(CC)CCN2C1=CC=CC=C1[S]C3=CC=CC=C23	1
ClC1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1)C2=O	0
COC1=CC=CC(=C1)C2=NC=CC(=N2)N3C=CN=C3	1
[Na+].CO[C@]1(NC(=O)CC2=CC=CS2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O	1
CCC1=CC=C(CC)C=C1	1
CC1=CC2=C(C=C1C)N=C(N2)CCN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC	1
CC1=CC(=CC=C1)NC(=S)C2=NC3=CC=CC=C3S2	1
O=C(N1CCOCC1)C2=CC=CN=C2	1
CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H]([C@H]([C@@H](O4)CO)O)O	0
CO/C1=C/C(=CC(OC)=C1OC)C(=O)OCCN5CCN(CCCN3C2=CC=CC=C2[S]C4=C/C=C(/[Cl])C=C34)CC5	1
COC1=CC=C(C=C1)COC(=O)N/N=C\\2/C[C@H]([C@H]([C@H]3[C@@H]2CC[C@H]4[C@H]3C(=O)N(C4=O)C5=CC(=CC=C5)OC6=CC=CC=C6)O)O	0
C1=CC=C(C=C1)C2=C(N=C(N=C2C3=NC(=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)N)N)C6=CC=CC=C6	0
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=C(C=C3)Cl)Cl	1
CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O	0
CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1	0
C1=CN=CC=C1C(=O)NN	0
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CC1=CC=CC=C1C(=O)NC(C)C2=CC3=C(CCCC3)C=C2	1
C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2F	1
C1CS(=O)(=O)CCN1C2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65	1
C1=CC(=CC(=C1)Cl)CN2C3=C(C(=O)NC(=N3)C(=O)NCC4=CC=CO4)N=N2	0
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=CC=C3Br	1
CCCCCOC(=O)CSC1=NN=C(C(=O)N1)C2=CC=CC=C2	1
CC(C)C(C(=O)NCCN1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3	1
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@]12C	0
[Na+].[Na+].[Na+].[O-]C(=O)C1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O	0
CN1C(=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)F)C4COC5=CC=CC=C5O4	1
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN	1
C1=CC(=C(C(=C1)Cl)CO[C@@H](CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	1
CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1	0
BrC(Br)Br	0
C1=CSC(=C1)CCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N	1
CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC=CC=C3OC	1
CC(=O)OCCN(CCOC(C)=O)C1=CC=C(C=C1)\N=N\C1=C(C=C(C=C1)[N+]([O-])=O)C#N	0
CCCN(CC1CC1)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O	0
CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=CC(=C2)C	1
CCCCCCCCCCCCCCC1CO1	1
C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C	0
CN1CC(=O)N=C1NC(=O)NC1=CC(Cl)=CC=C1	0
CCOC(=O)N/N=C/C1=CC=C(O1)C	0
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1	0
CCCCCCCCCC(=O)N(C)C	1
COC1=CC=C(C=C1)C(=O)N2CC3(C[C@H]2C(=O)NCC(=O)N)CC(=NO3)C4=CC=C(C=C4)Cl	0
CCC(C)C1=CC=C(O)C=C1	0
CC(C)([H])CC1(CC=C)C(=O)NC(=O)NC1=O	1
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1	0
C[C@H]/1COC(=O)[C@H](NC(=O)C/C=C\\[C@@H]([C@H](COC(=O)C/C=C1)OC)C)CCSC	0
CN(C)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC3=CC=CC=C3	1
CC(=O)NCCNC1=NC(=NC=C1)C2=CC=CC=C2C(F)(F)F	0
C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]	1
CC1=CC2=NC(=CN2C=C1)CSC3=CC=CC=C3N	1
COC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3N4CCOCC4	1
O=C2NC1=CC=CC=C1N2[C@@]4([H])CCN(CCO/C3=C/C=CC=C3)CC4	1
CC1=C(N)C(N)=CC=C1	0
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CCOCC2)C3=CC=C(C=C3)OC	1
CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2	0
C1CC(C2=CC=CC=C2C1)NC(=O)C3C4C=CC(C3C(=O)O)O4	0
COC1=CC=C(C=C1)N=[N+]([O-])C1=CC=C(OC)C=C1	0
OC(=O)CC(=C)C(O)=O	1
C=CCN1CCC2=C(C(=C(C=C2[C@@H](C1)C3=CC=CC=C3)O)O)Cl	0
CC(=O)N1C(=CC(=N1)[C@H]2CC[C@@H]3[C@]2(CC[C@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(F)(F)F	0
CCCCC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)OCC	1
CC(=O)CCC1=CC=C(OC(C)=O)C=C1	1
CC1=CC(=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC=CC=C5)C	1
CC1=CC=C(O1)C(O)=O	0
CCS(=O)(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3F	1
CC1=CC(=CC=C1)CN2C(=O)C(=C(C=N2)Cl)Cl	1
ClC(Cl)(Cl)C#N	1
[Br-].[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1	1
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O	0
CCOC(=O)/C=C\\1/N(C(=O)CS1)CC(=O)NC2=CC3=C(CCC3)C=C2	1
CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1	1
C1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CN(C1)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F	0
CN(C)C(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4OC	1
C1CN(CCC12CN(C2)CC3=CC=NC=C3)C(=O)C4=NC=CN=C4	0
C1CCO[C@@H](C1)N2C3=C(C=N2)C(=NC=N3)N4CC4	0
[Cl]/C4=C/C=C3N(CCOCC1([H])CC1)C(=O)C/N=C(/C2=C/C=CC=C2)C3=C4	1
COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl	1
Cl.COC1=CC(C[C@H](C)N)=C(OC)C=C1	1
COC1=CC=CC=C1C2=NOC(C2)COC(=O)C3=NC4=CC=CC=C4C=C3	1
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N)(C5=CC=CC=C5)C6=CC=CC=C6	0
CO/C3=C/C=C1C(CN(C)C[C@@]1([H])C2=C/C=C(/[Cl])C([Cl])=C2)=C3	1
CCCCC1=CN=C(C=C1)C(=O)O	0
CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1	0
CN\C(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O	0
C1CN(CCN1C(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=CC=C4	0
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=CC=C4OC	1
CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC=C(C=C4)OC)OC)OC	1
CC(=O)N(C1=CC=CC=C1)/N=C\\2/C(=O)C3=CC=CC=C3S2	1
C[C@H]/1COC(=O)[C@H](COC(=O)[C@@H](NC(=O)C/C=C1)CCSC)C	0
CCCC(=O)OCCC(C)CCC=C(C)C	0
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O	1
CC1(C2(CCC1(OC2=O)C(=O)NC3=C(C=CC(=C3)Cl)OC)C)C	1
[Cl]/C4=C/C=C3NC(=O)CN1CCO[C@@]1(/C2=C/C=C/C=C2/[Cl])C3=C4	1
CC1=C(C2=CC=CC=C2N1CCOC3=CC=C(C=C3)OC)/C=N/N4C=NN=C4	1
CCC/C=C(\\CCC)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2	1
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1	0
CN1C2=NC(=NC=C2N=C(C1=O)C3=CC=C(C=C3)F)OCC4=CC=CC=C4	0
CCC(=O)OC	0
CC1=CC2=C(C=C1C)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)N(CC4CCCO4)CC5=CC=CO5	1
OP(O)(O)=O.OP(O)(O)=O.COC1=CC2=CC=CN=C2C(NC(C)CCCN)=C1	0
ClCCCCBr	0
CC[C@H]1[C@@]([C@H]([C@H](C(=O)[C@H](C[C@@]([C@H]([C@H]([C@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@]([C@@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	0
CC(C)C1=CC2=CC=CN=C2C=C1	0
Cl.CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl	0
CCCCCCC(O)CCCCCCCCCCC(O)=O	0
[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	1
C/C(=C\\[C@H](C(=O)O)N)/CP(=O)(O)O	0
CC1=NC2=CN=C(N=C2N(C1=O)CC3=CC(=CC=C3)OC)N(C)C	1
CC1=CC=C(C=C1)S(=O)(=O)/N=C(\\C2=CC=C(C=C2)Cl)/N3CCOCC3	0
CCOC(=O)C(=CNC1=C(C=CC=N1)C)C(=O)OCC	1
Cl.CCC(=O)OC1(CCN(C)CC1)C1=CC=CC=C1	1
CCCC(C)C(O)=O	1
CCOC(OCC)P(=O)(CCCN)O	0
CC3(C)CN(CCN1CCN(C1=O)C2=CC=CC([Cl])=C2)C3	1
CC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC	1
O=NN1CCCCCCC1	0
C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SC2=NC(=S)NC(=O)N2	0
OC(=O)COC1=C(Cl)C(Cl)=C(C=C1)C(=O)C1=CC=CS1	1
CC(=O)OC1=CC=C(C=C)C=C1	0
CCNC1=CC=CC=C1	0
OOC1CCOP(=O)(N1)N(CCCl)CCCl	1
CCC1=C(OC2=C1C3=C(C=C2)C(=CC(=O)O3)C)C(C)O	1
C(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N	0
CC(C)([C@@H](C(=O)O)N)SCC1=CC=CC=C1	0
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC	1
CC#N	1
COC(=O)N1CCC[C@]2(C1)CCN(C2)C3=CC=CC=C3	1
O[P](O)(=O)CN1C(=O)NC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3	1
FC1=C(Br)C=C(C=O)C=C1	1
CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O	0
CC1=CSC(=N1)C2=C(CN(C2=N)CCC3=CC(=C(C=C3)OC)OC)O	1
CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=CC3=CC=CC=C32)C	1
C1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1N)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CN)O)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	0
[Na+].OC1=CC(=NC2=C1C1=NC3=C(OC1=CC2=O)C=CC=C3)C([O-])=O	0
COC1=CC=C(C=C1)C2=NC3=CN=CN=C3N(C2=O)C4=CC=CC=C4	0
CO[C@@]14N(C[C@@]2([H])N[C@@]12[H])C3=C(C(=O)C(N)=C(C)C3=O)[C@@]4([H])COC(N)=O	0
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O	1
CC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	1
CCCCCCCCCCCCCN1CC(C)OC(C)C1	0
CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1	0
FAIL	0
CC(C)CN1C2CCCC1CC(C2)NC(=O)C3=CC(=C(C=C3)OC)OC	0
CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\\Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	0
COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=C(C=C3)F)CCC#N	0
COC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CC=CS3)CC4=CC=C(C=C4)F	0
S=P(N1CC1)(N1CC1)N1CC1	0
C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CO3)O)C(=O)C4=CC=CS4	0
CO[C@@]2(NC(=O)[C@@]([H])(C(O)=O)C=1C=C[S]C=1)C(=O)N3[C@@]2([H])[S]C(C)(C)[C@@]3([H])C(O)=O	0
C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5	0
C1=CC(=CC=C1N=NC2=C(N=C(NC2=O)N)N)[As](=O)(O)O	0
OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O	1
C1=CC(=C(C=C1Cl)Cl)CSC2=NN=C(O2)CCCCCN.Cl	1
CC1=C(C2=C(N1)C=CC(=C2)O)CCN	1
NC[C@@]3([H])O[C@@]([H])(O[C@@]2([H])[C@@](N)([H])C[C@@](N)([H])[C@@]([H])(O[C@@]1([H])O[C@@]([H])(CO)[C@@](O)([H])[C@@](N)([H])[C@@]1(O)[H])[C@@]2(O)[H])[C@@](O)([H])[C@@](O)([H])[C@@]3(O)[H]	0
COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CC4=NC5=CC=CC=C5N4)C(=O)N6CCCC6)CN1C(=O)C7=CC=CC=C7)CC8=CC=CC=C8	1
C[C@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C	0
NC(=O)C1=CN=C(N)C=C1	0
FAIL	0
CCC(C)(C)C1CCCCC1OC(C)=O	0
CC(=O)N1CCN(CC1)C5=C/C=C(/OC[C@@]3([H])CO[C@@](CN2C=CN=C2)(O3)C4=C/C=C(/[Cl])C=C4[Cl])C=C5	0
CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1	0
C1=CC=C(C=C1)C2=NC3=NC=NC(=C3C(=C2)C4=CC=C(C=C4)F)N	1
C1CN=C(N1)CC2=CC=CC=C2	0
CC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC=C3	1
CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F	1
CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C	0
CCOC(=O)/C(=C\\N(C)C)/C#N	0
CC1=CC(=C(C(=C1)C)NC(=O)CS(=O)CC(=O)NCCCC2=CC=CC=C2)C	0
CC(C)=CCC\C(C)=C\CCC(C)(O)C=C	1
CC(=O)C1=CC=CC=C1N	1
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C	0
[C@H]([C@@H](C(=O)NN)O)(C(=O)NN)O	0
C(C[C@H](C(=O)O)N)CN	0
CC(N(C/C1=C/N=C(/C)N=C1N)C=O)=C(CCO[P](O)(O)=O)[S]C(=O)C2=CC=CC=C2	1
[C@H]1([C@H](C([C@H]([C@@H](C1O)N=C(N)N)O)O)O)N=C(N)N.OS(=O)(=O)O	0
CC(CN)CCCN	1
ClC1=C2C=CC=CC2=CC=C1	0
[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O	1
CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C	1
C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)CO	1
NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O	1
OC(=O)CS	0
C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]	1
CN(C)CN1CN(C(=S)SC1)CN(C)C	1
C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N	0
CN1CC[C@@]([H])(CC1)O[C@@]3([H])C2=CC=CC=C2CCC4=CC=CC=C34	1
CC1=CC(=CC=C1)CNC2=NC(=NC=C2)C3=COC=C3	1
CN(C)C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NCCC4=CNC5=C4C=C(C=C5)OC	1
CC(=O)NC1=CC2=CC=CC=C2OC1=O	0
CC1=CNC(=C(C1=O)CN2C3=C(C=C2C(=O)N4CCCC4)[C@H]5[C@@H](C3)CN([C@@]5(CC6=CC=CC=C6)C(=O)OC)C(=O)C7=CC=CC=C7)CO	1
C1C[C@H](NC1)C(=O)O	0
C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=C2NC=N3)N)Br	1
ClCCC(=O)NCC1=CC=CC=C1	1
CC1=NN=C(S1)SCC2=C(C=C(C=C2)F)Cl	1
COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=NC=CS3	1
COC1=CC=CC(=C1)[C@H]2[C@@H](C(=O)C3=C(O2)C=CC(=C3)Br)O	1
CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC	1
CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2	1
CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)OC	1
C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2	0
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