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CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,0,0,0,0,0,0,0,,0,,0,0
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CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1,0,0,0,0,1,1,0,0,0,,1,
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CC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O,0,0,0,0,,0,,,0,1,1,0
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C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
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CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O,0,,,,,0,,1,,,1,1
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CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O,0,0,0,0,,,,,0,,,0
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CCc1cc(C2=C(C(=O)[O-])N(c3ccccc3C(F)(F)F)S(=O)(=O)c3ccccc32)cc2c1OCO2,0,0,0,0,0,0,,,0,0,1,0
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CCCCC(CC)COC(=O)c1ccccc1O,,,,,,,,0,,0,,
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CCCCOCCO,0,0,0,0,0,0,0,0,0,0,0,0
[O-][n+]1ccccc1[S-],0,1,0,,,0,1,,1,1,1,
CCCN(CCC)C(=O)SCC,0,0,0,0,0,0,0,0,0,0,0,0
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C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,1,0,0,0,1,0,0,0,0,0,0,0
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CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,0,0,0,0,0,0,0,,0,,0,0
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CC(=O)C(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(c1ccccc1)c1ccc(O)cc1,0,0,0,,1,1,0,1,0,0,1,
Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,0,0,1,0,0,0,1,1,0,0,1,0
CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,0,0,0,,0,0,,,0,,0,0
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,0,0,0,0,1,1,0,0,0,0,0,0
C=Cc1ccc(S(=O)(=O)[O-])cc1,0,0,0,0,0,0,,1,0,0,,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,1,0,0,0,1,1,,,0,,0,1
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CC(=O)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,0,0,0,,0,0,0,0,0,0,0,0
CCO[Si](C)(CCCOCC1CO1)OCC,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-],,,,,,,,0,,0,,
Nc1cc(C(F)(F)F)ccc1S,,,,,,,,,,1,,
Cc1cccc(Cc2c[nH]cn2)c1C,0,,,,0,0,0,0,0,,0,0
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COc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC,0,0,0,0,0,0,0,,0,,0,0
COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl,0,1,,,0,,1,1,0,1,,1
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CCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1,0,0,0,0,0,0,0,1,0,,0,
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CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccccc1,0,0,0,0,0,0,0,1,0,0,0,0
CC(NN)c1ccccc1,0,0,,0,,0,0,0,0,0,0,0
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CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,0,0,0,0,0,0,0,0,0,0,0,0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0,,0,,,0,,,,,1,1
CCN(CC)C(C)C(=O)c1ccccc1,0,0,,0,0,0,0,0,0,0,0,0
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,0,0,0,0,0,0,0,,0,0,0,0
Cc1cccc(C(=O)O)c1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccccn1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)/C=C/C1C(C)=CCCC1(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,0,0,0,0,0,0,0,0,0,1,0,0
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CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1ccc(C(N)=O)cc1N,0,0,0,0,0,0,0,0,0,0,0,0
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CN1C(=O)CC(C)(c2ccccc2)C1=O,0,0,0,0,0,0,0,0,0,0,0,0
CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,,,,1,,0,,,,,1,0
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-],0,0,0,0,1,0,,0,0,0,,0
C[C@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccc1)c1ccccn1,,,,,,,,0,,0,,
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,0,0,0,0,0,0,0,0,0,0,,0
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CC(C)(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,,0,0,,0
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CCCCC,0,0,,0,0,0,0,0,0,,,0
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C[N+](C)(C)CC(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
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COc1ccc(C=O)cc1O,0,0,0,,0,0,0,0,0,0,,0
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CC1(C)C(=O)N(Cl)C(=O)N1Br,0,0,0,0,0,0,0,,0,0,0,0
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CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,0,,0,0,0,0,1,1,0,0,1,0
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CN(CCO)CCO,0,0,0,0,0,0,0,0,0,0,,0
CC1CCCC1,0,0,0,0,0,0,0,1,0,,,
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C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1,0,0,1,0,0,0,0,0,0,0,0,0
N#CSCSC#N,0,,0,,,1,1,,1,1,,1
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Cc1ccc(C(=O)c2ccccc2)cc1,0,0,,,1,0,0,0,0,0,0,0
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,0,,,,,,,,,,1,
CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0,0,,0,0,0,0,0,0,1,0
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C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,1,1,0,0,1,1,0,1,0,0,0,0
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NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-],0,0,0,0,1,0,0,,0,,0,0
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CCCC(C)(COC(N)=O)COC(=O)NC1CC1,0,0,,0,0,0,0,,0,,0,0
CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21,0,0,1,,0,0,0,,0,,0,1
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CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0,,0,0,0,0
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Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,0,0,0,0,1,0,0,0,0,0,0,0
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CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC,0,0,0,0,0,0,0,0,0,0,,0
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,0,0,0,,0,0,0,0,,0,0,
COC(=O)c1ccc(NC(C)=O)cc1OC,,,,,,,,0,,0,,
COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC,,,,,,,,0,,0,,
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CCOC(=O)c1ccc(O)c(O)c1,,,,,,,,0,,0,,
OC1(c2ccc(Cl)cc2)CCNCC1,,,,,,,,0,,0,,
Clc1ccccc1N1CCNCC1,,,,,,,,1,,0,,
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CC(=O)c1ccc(O)c(C(N)=O)c1,,,,,,,,0,,0,,
CCCC(=O)Nc1ccc(O)c(C(C)=O)c1,,,,,,,,0,,0,,
OC1(c2ccccc2)CCNCC1,,,,,,,,0,,0,,
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CC[Sn](Br)(CC)CC,0,1,0,,,1,1,,1,1,1,1
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Cc1cc(C)c(N)c(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(C)(C)C1CCC(O)CC1,0,0,0,0,,0,0,0,0,0,0,0
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CCC(CO)(CO)COCC(CC)(CO)CO,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1ccc(N(CCO)CCO)cc1,0,0,,0,0,0,0,0,0,0,0,0
CN(C)CCN(C)CCO,0,0,0,0,0,0,0,0,0,0,0,0
C(COCC1CO1)OCC1CO1,0,0,0,,0,0,0,1,0,,0,
CCC(=O)Nc1cccc(N)c1,0,0,0,0,0,0,0,0,0,0,0,0
S=C(Nc1ccccc1)Nc1ccccc1,0,0,0,0,0,0,0,,0,1,,0
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CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1,0,0,0,0,0,0,0,,0,,0,0
CCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2,0,0,0,0,0,0,0,,0,0,0,0
O=C(N[C@@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1,0,0,1,0,,0,0,,1,0,1,
CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1,0,0,0,0,0,0,0,0,0,0,0,
CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)OCC/C(SC(=O)OCC)=C(\C)N(C=O)Cc1cnc(C)nc1N,0,0,0,0,0,0,0,0,0,0,0,0
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0,,0,,,,,1,1,1,1,1
CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,0,0,1,,0,0,,,0,,,0
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=O)(OCC)OCC,0,0,1,0,0,0,0,0,0,0,0,0
Nc1ccc(F)cc1,0,0,,0,0,0,0,0,0,0,,0
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O,0,,0,,,0,0,0,,1,1,1
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O,0,0,1,0,0,0,0,0,0,0,0,0
CCOc1cc(OCC)c(C(C)=O)cc1OCC,0,0,,,,0,0,0,0,0,,0
CC(=O)OCCOCCOCCOC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)c1ccc2c(C)cc(=O)oc2c1,1,,1,,0,,,,0,,,1
CCN(CC)c1cccc(O)c1,0,0,1,0,1,,0,,0,0,,0
Oc1ccc2ccccc2c1/N=N/c1ccccc1,0,0,1,0,1,0,0,1,0,0,1,0
NC(=S)Nc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1c2ccccc2nc2ccccc12,0,,1,1,1,,,,0,,1,1
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1,0,0,0,0,0,0,0,,0,,0,0
CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl,0,0,0,,0,0,,1,0,0,0,0
CC(=O)NNc1ccccc1,0,0,0,0,0,0,,0,0,0,0,0
CC(=O)C1C(=O)C=C(C)OC1=O,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc(Nc2ccccc2)cc1,0,0,,0,0,0,0,1,0,0,0,
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,0,0,0,0,1,1,0,1,0,1,1,1
NNCCO,0,0,0,0,,0,0,0,0,0,0,0
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,0,0,0,0,0,0,0,0,0,0,0,0
CCOc1ccc(NC(=O)CC(C)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=S)(OCC)SCSCC,0,0,0,,1,0,0,0,0,0,0,0
C=CC(=O)OCCN(C)C,0,0,0,0,0,0,0,,0,0,0,0
Nc1ccc2cc3ccccc3cc2c1,0,,1,,1,,,,1,,1,1
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,0,0,0,0,0,0,0,,0,0,0,0
CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,0,0,0,0,0,0,0,0,0,0,,0
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,0,,0,0,,0,,,0,,0,
CCOCC(C)O,0,0,0,0,0,0,0,0,0,0,,0
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,,,,,,,,0,,0,,
CN(C)CCCN,0,0,0,0,0,0,0,0,0,0,0,0
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OC1CCCc2ccccc21,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc(N=NNc2ccccc2)cc1,0,0,1,,1,0,,1,0,0,,0
O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1,0,,1,,0,0,,1,1,0,,
COC(C)OC,0,0,0,0,0,0,0,0,0,0,,0
CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1,0,0,0,0,,0,0,0,0,0,1,0
CC(O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1,0,0,0,0,0,,0,0,0,0,,0
Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1,0,0,1,,1,0,0,0,1,0,0,0
CCOc1ccc(NC(N)=O)cc1,0,0,0,0,,0,0,0,0,0,0,0
CCOc1ccccc1C(N)=O,0,0,,0,0,0,0,0,0,1,0,0
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2,0,0,1,0,0,0,1,,0,,0,0
C=CC(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CN1CCCC1=O,0,0,0,0,0,0,0,0,0,0,0,0
CNc1ncnc2[nH]cnc12,0,0,,,0,0,0,1,1,0,1,0
CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1,0,0,1,,0,0,0,0,0,0,1,0
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,0,0,1,0,1,0,0,0,0,0,0,0
COc1cc(N)ccc1C,0,0,1,0,0,0,,,0,0,0,0
CC(=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,0,0,0,,,0,0,,0,1,1,1
Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,,,0,0,0,,0,0,1,0
CC(C)N(CCO)C(C)C,0,0,0,0,0,0,0,0,0,0,,0
CCC(C)=NO,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)CC,0,0,0,0,0,0,0,0,0,0,0,0
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,0,0,0,0,0,0,0,0,0,0,0,0
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CC(Oc1cc(Cl)ccc1Cl)C(=O)O,0,0,0,0,0,0,0,,0,0,,0
CC(Oc1ccc(Cl)cc1Cl)C(=O)O,0,0,0,,0,0,0,0,0,0,0,0
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CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,0,,0,,1,,0,1,0,1,1,
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CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O,0,,0,,0,0,,1,0,,1,
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Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0,0,0,0,,0
CCOC(=O)CC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
C1CCCNCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC,0,0,0,0,0,0,0,1,0,0,0,0
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,0,0,0,,0,0,0,0,0,0,,0
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CC(=O)[O-].CC(=O)[O-].[Mg+2],0,0,0,0,1,,0,0,0,0,0,0
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CCC(C)c1cccc(C(C)CC)c1O,0,0,0,,0,0,0,0,0,0,1,0
CCCC[N+](C)(CCCC)CCCC,0,0,0,0,0,0,0,0,0,0,0,0
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,0,0,0,0,,0,0,,0,0,0,0
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CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,0,0,0,,1,1,0,1,0,1,1,1
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CCCCC(CC)COC(=O)c1ccc(O)cc1,0,0,0,,1,1,0,0,0,,1,
CC(=O)c1ccc(Cl)c(Cl)c1Cl,0,0,,0,0,0,0,0,0,0,,
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COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,0,0,0,0,0,0,0,,0,,0,0
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CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,0,1,1,,,0,,,0,0,,1
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CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,0,0,0,0,0,0,,0,0,0,,0
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CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0,0,0,1,,0,0,1,0,0,1,0
FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl,0,,1,1,,0,,,,0,,
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CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2,0,0,0,0,0,0,0,,0,,0,0
C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2,0,0,0,0,0,0,0,,0,,0,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,0,0,,1,0,0,0,,0,0,0
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0,0,1,0,0,0,,,0,0,,0
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C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,1,1,0,0,0,0,0,1,0,0,0,0
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C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,0,0,0,,,0,,,0,,,0
Cc1cnc(C(=O)O)c[n+]1[O-],0,0,0,0,0,0,0,,0,,0,0
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CNC(=O)N(C)c1nnc(C(C)(C)C)s1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl,0,0,0,0,0,0,0,0,0,0,0,0
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CC(C)(C)OC(=O)c1ccccc1C(=O)O,0,0,0,,0,0,0,0,0,0,0,0
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Cc1ccc(C(C)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)cc1.OCCNCCO,,,,,,,,0,,0,,
CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O,,,,,,,,,,0,,
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Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl,,,,,,,,0,,0,,
NC(=O)NC1N=C(O[AlH3](O)O)NC1=O,,,,,,,,0,,0,,
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C#Cc1ccc(-c2ccccc2F)cc1,,,,,,,,0,,0,,
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,0,0,,1,,0,1,,0,0,1,
CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,0,0,1,,1,0,1,,1,0,0,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,1,0,,0,0,0,0,0,0,0,0
CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21,0,0,0,0,,0,,,0,,1,
CP(=O)([O-])OCCC[Si](O)(O)O,0,0,0,0,0,0,0,0,0,0,,0
N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1,0,0,0,0,0,0,0,0,0,0,,0
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CC(C)(O)C(=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
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COC(C=C(C)CCC=C(C)C)OC,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)OC(C)(C)C1CC=C(C)CC1,0,0,0,0,,0,0,0,0,0,0,0
C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C,0,0,0,,,0,0,0,0,0,0,0
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C/C=C(C(=C/C)/c1ccc(OC(C)=O)cc1)\c1ccc(OC(C)=O)cc1,,,,,,,,1,,1,,
Nc1ccc(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)cc1,,,,,,,,0,,0,,
CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,,0,,0,0,1,0,0,,0
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12,,,,,,,,,,0,,
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,,,,,,,,0,,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@@]21C,,,,,,,,1,,0,,
CCOC(=O)C(=O)CCCCCCl,,,,,,,,0,,0,,
Nc1ccc(Cl)cc1C(=O)c1ccccc1F,,,,,,,,1,,0,,
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,,,,,,,,1,,0,,
CC(C)(C)c1ccc(OCC2CO2)cc1,0,0,0,,1,0,0,0,0,0,0,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,1,1,0,0,0,0,0,1,0,0,0,0
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,0,0,0,0,0,0,0,0,0,0,0,0
C=CN1CCCC1=O,0,0,0,0,0,0,0,0,0,0,0,0
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0,0,0,0,1,0,0,0,0
C1CCCCCCCCCCC1,0,,0,0,0,0,0,0,0,0,0,0
Cc1cccc(C)c1,0,0,0,0,1,1,0,0,0,0,0,0
Cc1ccc(N)c(C)c1,0,0,1,0,0,0,0,0,0,0,0,0
Oc1cccc(Cl)c1,0,0,0,0,0,0,0,0,0,0,,0
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O,0,0,1,0,0,0,0,1,0,0,,0
CC(C)CCON=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)C(C)C,0,0,0,0,0,0,0,,0,0,0,0
O=Cc1ccccc1[N+](=O)[O-],0,0,,0,0,0,0,0,0,0,,1
O=Cc1ccc([N+](=O)[O-])cc1,0,0,,,1,0,0,0,0,0,0,0
COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,0,0,,,0,0,,0,,1,,
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,0,0,0,0,0,0,0,,0,,,
COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OP(=O)(O)O,0,0,0,0,1,0,0,,1,,0,1
C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21,,,,,,,,0,,0,,
CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].[Gd+3],,,,,,,,0,,0,,
Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+],0,0,0,0,0,0,0,,0,,0,0
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-],0,0,,,0,0,,0,0,0,1,0
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,0,0,0,0,0,0,,,0,,0,1
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,1,,1,,,0,0,,1,0,,0
COc1ccc(C(=O)N2CCCC2=O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,0,0,0,0,0,0,0,,0,,0,0
CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,,0
CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O,0,0,1,,,0,,1,0,0,,0
C=CCc1ccccc1OCC(O)CNC(C)C,0,0,0,0,0,0,0,0,0,0,,0
CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,0,0,0,0,0,0,0,1,0,0,1,0
Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O,1,0,1,,1,1,0,1,1,0,1,0
CCn1c2ccccc2c2cc(N)ccc21,0,0,1,1,0,1,0,1,0,1,1,1
CCOc1ccc(NC(C)=O)cc1N,0,0,1,,,0,0,0,0,,,0
Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O,0,0,1,0,0,0,0,,0,0,1,0
Nc1nnc(-c2ccc([N+](=O)[O-])o2)o1,0,0,0,,,0,0,1,0,0,,0
CCCCCCCCCCCCCCBr,0,0,0,0,0,0,0,,0,0,0,0
CCOCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F,0,,0,,,,,,0,1,1,1
Cn1cc(S(C)=O)c(=O)c2ccc(F)cc21,0,0,0,0,0,0,0,,0,0,0,0
c1ccc2c(CCC3CCNCC3)c[nH]c2c1,0,0,1,0,0,0,0,,0,,,0
CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1,0,0,,,1,0,0,0,0,0,0,
C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1,0,0,1,,1,0,0,0,1,0,0,0
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O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,,0,0,0,0
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)O[C@H]1[C@@H](N2CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C,0,0,0,0,0,0,0,,0,,0,0
COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,0,0,1,0,0,0,0,0,0,0,0,0
Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1,0,0,0,0,0,0,0,0,0,0,0,0
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,0,0,0,,,0,,,0,0,0,1
O=[Mo](=O)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=S)(S)OCC,0,0,0,0,0,0,0,0,0,0,0,0
c1nc[nH]n1,0,0,0,0,0,0,0,,0,0,0,0
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,0,,0,0,0,0,0,,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(N)=O,0,0,0,0,0,0,0,0,0,0,1,0
CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1,0,0,,0,,0,0,,0,0,0,0
Cc1cc(=O)[nH]c(=S)[nH]1,1,1,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,0,0,0,0,,0,,,0,,1,
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,1,,0,,0,0,0,1,0,,1,0
CCC(C)(C)c1ccc(O)cc1,0,0,0,0,1,1,0,0,0,0,1,0
Cc1c(N)cccc1Cl,0,0,,0,,0,0,0,0,0,0,0
Cc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1,0,0,0,0,1,1,,1,0,1,1,
Nc1ccc(Br)cc1,0,0,1,0,0,0,0,0,0,0,0,0
CCCCOC(=O)CCCCC(=O)OCCCC,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(O)c(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,0,0,,0,0,0,0,0,0,0,0,0
Cc1ccc(O)cc1,0,0,0,0,1,0,0,0,0,0,0,0
Cc1ccc(C)cc1,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@](O)(c3ccccc3Cl)[C@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1OC,0,0,0,0,0,0,0,0,0,0,0,0
O=[PH](Oc1ccccc1)Oc1ccccc1,0,0,0,0,1,0,0,0,0,0,0,0
C[NH+](C)CCC(c1ccc(Cl)cc1)c1ccccn1,0,0,0,0,0,0,0,0,0,0,0,0
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
C[N+](C)(C)CCO,0,0,0,0,0,0,0,0,0,0,0,0
O=[Cr]O[Cr]=O,0,0,0,0,0,0,0,0,0,0,0,0
[Cr+3],0,0,0,,0,0,0,0,0,0,0,0
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,0,0,0,0,1,0,0,1,0,0,1,0
CN/C(=N\C#N)NCCSCc1nc[nH]c1C,0,0,0,0,0,0,0,0,0,0,0,0
CCCCNS(=O)(=O)c1ccccc1,0,0,,,0,0,0,0,0,0,0,0
C=C(C)c1cccc(C(=C)C)c1,0,0,0,0,,0,0,0,0,0,0,0
CC=CC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC1OC(=O)C(C)OC1=O,0,0,0,0,,0,0,0,0,0,0,0
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O,0,0,1,,0,0,0,1,0,0,1,
CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O,0,0,1,,0,0,0,,0,0,,0
OCCCCCO,0,0,0,0,1,0,0,0,0,0,0,0
CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0,,0,,,0,,1,0,0,1,1
CNC(=N)NC(=O)Nc1c(C)cccc1C,0,0,0,0,0,0,0,0,0,0,0,0
CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,0,,1,0,0,0,1,,0,0,,
CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,0,0,0,0,0,0,1,0,0,0,0,0
CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12,0,0,0,,0,0,,,0,,0,0
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0,,,0,0,,,,1,,,1
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N/O)cc1)C1CCCCC1,0,0,0,0,0,0,0,,0,,0,0
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,0,,,,0,0,0,0,,0,0,
[NH3+]c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
NC(=S)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)c1ccc(S(=O)(=O)[O-])cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(=O)O,0,0,0,0,0,,,0,0,,0,
CCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21,0,0,0,0,0,0,0,0,0,0,0,0
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43,1,0,0,0,0,0,0,0,0,0,0,0
c1cc[n+]2c(c1)-c1cccc[n+]1CC2,0,0,0,0,,0,0,1,0,0,0,
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,0,0,0,,0,0,0,0,0,0,,0
COCCOCCOCCOC,0,0,0,0,0,0,0,0,0,0,0,0
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,1,1,0,1,1,1,0,,0,1,0,0
Cc1ccccc1Br,0,0,0,0,0,0,0,0,0,0,0,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,0,1,,1,1,1,,,1,0,1,1
CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1,0,0,0,0,0,0,0,0,0,0,,0
CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12,0,,,,,,,,,,,
COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl,0,,0,,,,,,,1,,
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,0,1,0,,0,0,0,1,0,0,0,0
CCOC(=O)COc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CC2,0,0,0,,0,0,0,0,0,0,,
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,0,0,0,0,0,0,0,,0,0,0,0
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,0,0,0,1,0,,,,0,,,0
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CNC(=O)Oc1cccc(C(C)C)c1,0,0,0,0,0,0,0,0,0,0,,0
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COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],0,0,,1,,,0,0,0,,,0
N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,,,,,,,,0,,,,
CCC(=O)Nc1ccc(O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)CCCN1c2ccccc2Sc2ccccc21,1,0,0,,0,0,0,0,0,0,,0
CC(=O)N1C[C@H](O)C[C@H]1C(=O)O,1,1,,0,1,,0,0,0,0,0,0
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,0,0,0,0,0,0,0,,0,,,0
C[C@@H](O)[C@H](N)C(=O)O,,,,,,,,0,,0,,
CN1C(=O)/C(=N/NC(N)=S)c2ccccc21,0,0,1,,0,0,1,,0,,1,0
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
CCNC(=O)/C=C/c1cccc(Br)c1,0,,,,,0,0,0,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc(Cl)cc1,0,0,0,0,,0,0,,0,0,,0
CN(C)c1ccc(SC#N)cc1,0,0,,,1,0,,0,0,1,,
Cc1cccc(OCC(O)CNC(C)(C)C)c1C,,,,,,,,0,,0,,
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1,0,0,0,1,,0,,,0,0,1,1
CCCCCCCCCCCCCCCC(=O)NCCO,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCC1CCCC(=O)O1,0,,0,0,0,0,,0,0,0,,0
CC(CC=O)c1ccccc1,0,0,0,0,0,0,0,0,0,,,0
C1CNCCN1,0,0,0,1,1,0,0,0,0,0,0,0
CCOC(=O)CCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)CC(=O)c1ccccc1,0,0,,0,,0,0,0,0,0,0,0
CCCCCC#CC(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C\CC1=C(C)CCC1=O,0,0,0,0,0,0,0,,0,0,,0
CCC(=O)OC(C)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc2nccnc12,0,0,0,,,0,0,0,0,0,0,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1CC(N2CCOC(OC)C2)C(O)C(C)O1,,,,,,,,,,0,,
C/C=C/C=C/C(=O)O,1,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)C(=S)[S-],0,0,0,,0,0,0,1,0,1,0,0
[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-],0,0,0,,,,,0,0,,1,1
Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br,0,0,0,0,0,0,0,0,0,0,,0
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,1,0,0,0,0,0,0,0,0,0,0,0
CCC(OCCCOC)OC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cscn1,0,0,0,0,0,0,0,0,0,0,,0
NC1CCCCC1N,0,0,0,0,0,0,0,0,0,0,0,0
O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,0,0,0,0,0,0,0,0,0,0,0,0
C[Sn](C)(Cl)Cl,0,0,0,,0,0,0,1,0,1,0,0
CCCCC(CC)C(=O)Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCOCCC(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,0,0,0,0,0,0,0,,0,,,1
CN(N=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=NN1CCOCC1,0,0,0,0,0,0,0,0,0,0,0,0
NC(=O)Nc1nc2ccccc2[nH]1,0,0,,,0,0,0,,0,0,,0
O=NN1CCNCC1,0,0,0,0,0,0,0,0,0,,0,0
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,0,0,0,0,0,0,0,0,0,0,,0
COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)CC2,0,0,,0,0,0,0,,0,,,0
COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC,0,0,,0,0,0,0,,0,,0,0
COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2,0,,,,,0,,,,,,
Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1,0,1,0,0,,,,0,1,0,,
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,0,0,0,,,0,,0,0,0,,1
CC(C)(C)NCC(O)c1ccccc1Cl,0,0,,0,0,0,0,0,0,0,0,0
CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0,,1,0,1,0,0,,0,,0,0
COC(=O)CC(C)CCC=C(C)C,0,0,0,0,0,0,0,,0,,0,0
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,0,0,0,0,0,0,0,,0,1,,0
O=S1OCCO1,0,0,0,0,0,0,0,0,0,0,0,0
OCC(O)CCl,0,0,0,0,0,0,0,0,0,0,0,0
COC(C)(C)CCO,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1,1,0,0,1,1,0,,0,0,0,1
OCC(O)CO,0,0,0,0,0,0,0,0,0,0,0,0
O=S(=O)(O)c1ccc(O)c2ncccc12,0,0,0,0,0,0,0,1,0,0,0,0
Cc1ccc(S(=O)(=O)O)cc1.O,0,0,,0,0,0,0,0,0,0,0,0
Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1,0,0,1,,1,1,0,,0,0,1,1
COC(OC)(C(=O)c1ccccc1)c1ccccc1,0,0,0,,1,1,0,0,0,0,0,0
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O,0,0,0,0,0,0,0,,0,,1,0
CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1,0,0,0,,1,,0,1,0,,1,1
O=S(=O)(O)O,0,0,0,0,0,0,0,,0,0,,0
O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O,0,0,1,1,1,1,0,,0,1,1,
[Fe+2],0,0,0,0,0,0,0,,0,0,0,0
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12,0,0,1,0,0,1,0,1,1,,0,1
Nc1ccc(O)c(N)c1,0,0,0,0,,0,0,0,0,0,1,0
Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,0,0,0,0,0,0,0,0,0,0,1,0
Cc1ccc(N)cc1N,0,0,1,0,0,0,0,,0,0,1,0
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,0,0,1,0,0,0,0,0,0,0,0,0
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,0,0,0,,,0,0,0,1,0,0,0
CC(C)(C)C(=O)O,0,0,0,0,0,0,0,0,0,0,,0
CC(C)(CO)[N+](=O)[O-],0,0,0,0,1,0,0,0,0,0,0,0
CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1,0,,0,,0,0,0,,0,0,0,0
CCCCCCCCCCCCS,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,0,,1,1,0,,0,0,0,1,,
CSC1=N[C@@](C)(c2ccccc2)C(=O)N1Nc1ccccc1,0,,0,1,,,,1,0,0,1,0
CCCCCCCCCCCCc1ccc(O)cc1,0,,0,,1,1,,,0,,1,
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,0,,0,0,0,0,0,0,0,0,0,0
CCC1(c2ccccc2)CCC(=O)NC1=O,,,,,,,,0,,0,,
CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0,,0,,0,0
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
OCCN(CCO)c1cccc(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl,0,0,0,1,,0,0,,0,0,0,0
O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1,1,,1,,1,0,0,,1,0,0,0
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1,0,0,0,0,0,0,0,0,0,0,,0
CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,0,0,,0,0,0,0,0,0,0,,0
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,0,,0,,,0,,,0,,,
COc1ccccc1NC(=O)CC(C)=O,0,0,1,0,0,0,0,1,0,0,0,0
Cn1cnc2c(=O)nc(N)[nH]c21,0,0,0,0,0,0,0,0,0,0,,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,1,0,,,0,,0,,0,0,,0
N=C(N)NC(=N)N1CCOCC1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,0,0,0,0,0,,,0,,,0
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1,0,0,0,,0,0,0,,0,0,0,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,1,1,,,0,,0,0,0,0,0,0
CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCc1cc2ccccc2c(OCCN(C)C)n1,0,,0,0,0,0,0,0,0,0,,0
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,0,,0,,0,0,0,0,0,0,,0
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C,0,0,0,0,0,0,0,0,0,0,,0
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F,0,,0,,,,,1,0,0,1,
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,,,,,,,,1,,0,,
Cc1ccc(C(C)C)c(O)c1,0,0,0,0,0,0,0,0,0,0,1,0
O=c1cc[nH]c(=S)[nH]1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc(Sc2ccc(N)cc2)cc1,0,0,1,,,1,0,,0,0,0,0
CC(=O)OCCOC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCCCCC(=O)OCCO,0,0,0,0,1,0,0,,0,,0,0
CCCCCCCC,0,0,0,,,,0,0,0,0,0,0
N=C1NC(=N)c2cc3ccccc3cc21,0,1,1,,,,,1,1,1,1,1
C1=CCCC=CCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccc(O)c2c(O)cccc12,0,0,1,0,0,0,0,,0,0,0,0
N#C[S-],0,0,0,0,0,0,0,0,0,0,0,0
CC(N)=S,0,0,,0,0,0,0,0,0,0,0,0
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C,0,,,,,,,,,1,1,
COc1ccccc1N1CCNCC1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccccc1Nc1ccccc1,0,,1,,0,,,1,0,1,,0
CCC[N+]1(C)CCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCCCI,0,0,0,0,0,0,0,0,0,0,0,0
O=[N+]([O-])c1ccc2[nH]ncc2c1,0,0,0,0,0,0,0,0,0,0,,0
CCC(C)(C)CC,0,0,0,0,0,0,0,0,0,,0,0
CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,0,0,1,,1,0,0,0,0,0,1,0
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[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,1,1,0,,0,0,0,,0,,,0
C=CCCC=C,0,0,0,0,0,0,0,0,0,0,,0
BrCCOc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0,,0,,0,0
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,0,,,1,,,,,,,1,1
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl,0,0,0,,1,0,0,,0,0,1,0
CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2,0,0,0,0,0,0,0,0,0,0,0,0
COP(N)(=S)Oc1ccccc1C(=O)OC(C)C,0,0,1,0,,0,0,0,0,0,0,0
CCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1.OCCN(CCO)CCO,0,0,0,0,,0,0,0,0,0,0,0
CC(C)CC(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCCSC(=O)N(CCC)CCC,0,0,0,0,0,0,0,0,0,0,0,0
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,0,0,0,,0,0,,,0,0,1,
COc1c(Cl)ccc(Cl)c1C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Brc1ccc(Oc2ccc(Br)cc2)cc1,0,0,0,0,0,0,0,0,0,0,1,0
ClC(Cl)(Br)Br,0,0,0,0,0,0,0,0,0,0,0,0
Brc1ccc(Br)cc1,0,0,0,0,0,0,0,0,0,0,0,0
OC1CCCCC1c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=S(=O)([O-])c1ccc2ccccc2c1,0,0,1,0,0,0,0,0,0,0,0,0
CCC(C)COC(=O)CC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccccc1OCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC=CC(=O)CCCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCC(CC)OC(=O)CCCOc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
Fc1c(F)c(F)c(Br)c(F)c1F,0,0,0,0,0,0,0,,0,0,0,0
CCCCc1ccc(O)cc1,0,0,0,,0,0,0,,0,,1,0
C/C=C(\C)C(=O)OCc1ccccc1,0,0,0,0,0,0,0,0,0,,0,0
CC(=O)Oc1ccc([N+](=O)[O-])cc1CCl,0,0,,0,0,0,0,0,0,0,1,
CSCCCN=C=S,0,0,0,0,0,,,1,,,1,1
CC1=NC(C)OC1C,0,0,0,,,0,,1,0,0,0,0
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1cccc(-c2cccc(C(=O)O)c2)c1O,,,,,,,,,,1,,
O=C(O)c1ccc(O)nc1,,,,,,,,0,,0,,
CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1,,,,,,,,0,,0,,
Cc1ccc2ccc(Cl)cc2n1,,,,,,,,0,,0,,
CC(C)(C)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=C1CCCC=CCCCCCCCCCC1,0,0,0,,0,0,1,0,0,,1,0
CCOC(=O)COc1ccc(C)cc1,0,0,0,0,0,0,0,0,0,1,0,0
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)COP(=O)([O-])[O-],1,1,0,,1,0,0,0,0,0,0,0
CC(C)(O)C#N,0,0,0,0,0,0,0,0,0,0,0,0
NO,0,0,0,0,0,0,0,0,0,0,,0
[NH3+]O.[NH3+]O,0,0,0,0,0,0,0,0,0,0,0,
NCCNCCO,0,0,0,0,0,0,0,0,0,0,0,0
N#CC(O)c1ccccc1,0,0,0,0,0,0,0,,0,0,0,0
O=C(NO)c1ccccc1,0,0,0,,0,0,0,,0,0,0,
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,0,0,,,1,1,0,1,0,1,1,0
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@@H](C(=O)O)C(C)C,0,0,0,0,0,0,0,,0,,0,0
CCCC(CCC)C(N)=O,0,0,0,0,0,0,0,,0,,0,0
Cl[V](Cl)(C1C=CC=C1)C1C=CC=C1,0,,0,,0,,,1,0,,0,
COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1,,,,,,,,0,,0,,
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H]1OC,,,,,,,,,,0,,
C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1,,,,,,,,,,1,,
NS(=O)(=O)c1cc(C(=O)NN2C[C@H]3[C@H]4CCC(C4)[C@H]3C2)ccc1Cl,,,,,,,,0,,0,,
Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1,,,,,,,,,,1,,
Nc1ccccc1C(=O)OCC(O)CO,,,,,,,,,,0,,
CCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C(=O)OCC,,,,,,,,,,0,,
CN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,,,,,,,,0,,0,,
CCCCCCCCCOCC1CO1,,0,0,1,,0,0,0,0,0,0,0
CCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC,,,,,,,,,,0,,
CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21,,,,,,,,0,,0,,
N#CCc1ccccc1[N+](=O)[O-],0,0,1,0,0,0,0,0,0,0,0,0
O=[N+]([O-])c1ccc(CCO)cc1,0,0,0,,0,0,0,0,0,0,,0
O=[N+]([O-])c1cccc(O)c1,0,0,0,0,1,0,0,1,0,0,1,0
Cc1ccc2ccccc2c1[N+](=O)[O-],0,0,0,,0,0,0,0,0,0,0,0
O=[N+]([O-])c1ccccc1CCO,0,0,,0,0,0,0,0,0,0,0,0
O=C1CCCC(=O)C1,0,0,0,0,,0,0,0,0,0,0,0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,0,0,,,1,0,1,1,0,1,1,1
CCOC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
NC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,0,0,0,0,0,0,0,0,0,0,0,0
O=c1cc[nH]c(=O)[nH]1,0,0,0,0,0,0,0,0,0,0,0,0
CCc1ccc(Br)cc1,0,0,,0,,0,0,0,0,0,0,0
CCCC[Sn](Cl)(Cl)Cl,0,0,0,,0,0,0,1,0,0,0,0
O=C(O)c1ccc2cc(C(=O)O)ccc2c1,0,0,0,0,0,0,0,0,0,0,0,0
CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1,0,0,0,,,0,,1,0,0,,
CCCOCC(C)O,1,0,0,0,0,0,0,0,0,0,0,0
C=CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl,0,0,,0,0,0,0,,0,0,0,0
CCCCCCC(CO)CCCC,0,0,0,0,0,0,0,0,0,0,0,0
O=C([O-])c1cc(C(=O)O)cc(S(=O)(=O)O)c1,0,0,0,0,0,0,0,0,0,0,,0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1,0,0,0,0,0,0,0,0,0,0,0,0
COC(C)CCO,0,0,0,0,0,0,0,0,0,0,,0
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)c1csc(N)n1,0,0,0,0,0,0,0,0,0,0,0,0
CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,0,0,,0,,0,0,,0,,,0
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O,0,0,0,0,0,0,0,,0,,0,0
C/C(=C(\CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N,0,0,0,0,,0,0,,0,,0,0
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O,0,0,0,0,1,,0,,0,,,0
CCCCOC(=O)CCCCCCCC(=O)OCCCC,0,0,0,0,0,0,0,0,0,0,0,0
C=CCBr,0,0,0,,0,0,0,0,0,0,0,0
CCC1(C2=NCCN2)Cc2ccccc2O1,0,,0,0,0,0,0,0,0,0,0,1
Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1,0,0,1,0,0,0,0,,0,0,1,0
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,0,0,0,0,,0,0,0,0,0,0,0
CN(C)CC/C=C1\c2ccccc2COc2ccccc21,0,0,0,0,0,0,0,0,0,0,,0
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,0,0,0,1,,0,0,,0,,0,
CN(C)CCOC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1,0,0,0,0,,0,0,0,1,0,0,0
N=C(N)NC(=N)NCCc1ccccc1,0,0,0,0,,0,0,1,0,0,0,0
C=CCOC(=O)CCCCCCCC,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc([N+](=O)[O-])ccc1N,0,0,0,,0,0,0,0,0,0,0,0
C=CCSSCCC,0,0,0,0,0,0,0,,0,0,0,0
C=CCNC(N)=S,0,0,0,0,0,0,0,0,0,0,0,0
C[Si](Cl)(c1ccccc1)c1ccccc1,0,0,0,,0,0,0,,0,0,1,0
CC(C)C(O)C(C)(C)CO,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,1,1,0,,1,1,0,,0,0,0,0
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,1,1,0,,1,1,0,0,0,0,0,0
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,1,1,0,0,1,1,0,1,0,0,0,0
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,0,0,0,0,0,0,0,0,0,0,0,0
Cl[Nd](Cl)Cl,0,0,0,,0,0,0,,0,0,0,0
CCO[Si](CCC1CCC2OC2C1)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)c1ccc(N(C)C)cc1,0,0,1,,1,0,0,0,0,0,0,0
CC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
OCCc1ccccn1,0,0,0,0,0,0,0,0,0,0,,0
CCNc1cccc(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc(Oc2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CNc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
N#Cc1ccccn1,0,0,0,0,0,0,0,0,0,0,0,0
ON=C1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)c1ccccc1C(=O)OCc1ccccc1,0,0,,,0,0,,0,0,0,0,0
COc1ccccc1NC(=O)c1cc2ccccc2cc1O,0,0,1,1,,0,,,0,,,
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COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,,0,1,,1,1,0,0,0,0,1,
CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,0,0,0,0,0,0,0,,0,0,0,0
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0,0,0,0,0,0,0,,0
COc1ccc(OC)c(OC)c1,0,0,0,0,,0,0,,0,0,0,0
CC(=O)/C=C/C1C(C)=CCCC1(C)C,0,0,0,0,,0,0,0,0,0,0,0
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COc1ccc(N)c(C)c1,0,0,0,0,,0,0,0,0,0,0,0
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,0,,,0,0,,,,1,,1,1
CC(=O)OCCC(C)CC(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
[Co+2],0,0,0,0,0,0,0,1,0,0,0,0
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,1,0,0,0,0,0,0,1,0,1,0,0
CCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,0,0,1,0,0,0,0,0,0,0,0,0
CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O,0,,0,,0,0,1,0,0,0,1,1
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],0,,,,,1,,,1,1,,0
CCCC[n+]1cccc(C)c1,0,0,0,0,0,0,0,1,0,0,0,0
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Cc1nc2ccccc2s1,0,0,0,0,0,0,0,0,0,0,0,0
N#Cc1c2ccccc2cc2ccccc12,0,,,,,,,,0,,1,1
O=CC=C(c1ccccc1)c1ccccc1,0,0,,,0,0,,1,0,,1,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1,0,,0,,0,,0,0,1,,,
CCC1(c2cnc[nH]2)Cc2ccccc2C1,0,,1,0,0,0,0,0,0,,,0
CCCn1cc[n+](C)c1,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,0,0,1,0,0,0,0,,0,,0,0
CCCCC=O,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)CCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,0,0,0,1,,0,0,,,0,0,0
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,0,0,,0,0,0,0,0,0,0,,0
O=C1OC2(c3cc(Br)c(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,0,0,,,0,0,,0,0,1,,
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-],1,1,0,0,0,0,0,,0,,0,0
CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)c1ccc(C(C)=O)cc1,0,0,0,0,,0,0,0,0,0,0,0
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)c1ccncc1,0,0,0,0,0,0,0,0,0,0,0,0
Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,0,,0,,,0,,,,,,
CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl,0,,0,,,,,1,0,1,,
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C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,0,0,0,0,1,1,0,1,0,0,0,0
C=C(C#N)C(=O)OCC,0,0,0,,0,0,0,0,1,0,0,0
Cc1c(-c2cccnc2)c2ccccc2n1CCCCC(=O)O,0,0,1,,0,0,0,0,0,0,,0
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Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1ccn2CCC(=O)O,0,0,0,,0,0,1,1,0,0,,
Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2,0,0,,,1,0,0,0,0,0,0,0
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N,0,0,0,0,0,0,0,0,0,0,0,0
NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c2cc(F)c(Cl)cc21,0,,1,,,0,,,0,,,1
NC(=O)N(O)[C@@H]1C=C[C@H](Oc2cccc(Oc3ccc(F)cc3)c2)C1,0,0,,,1,0,,1,0,0,0,0
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,0,0,0,0,0,0,0,0,0,0,0,0
CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C42OO3,0,0,0,0,0,0,0,,0,,0,0
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4,,,,,,,,,,0,,
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,0,0,0,0,0,0,0,0,0,0,,0
CC(C)C(Br)C(=O)NC(N)=O,0,0,0,0,0,0,0,1,0,0,0,0
CN1CCC[C@H]1c1cccnc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C,0,0,0,0,1,0,0,0,0,0,0,0
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C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,0,0,0,0,0,0,0,,0,,0,0
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0,,0,0,0,0,0,1,0,1,,
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,0,0,0,1,0,0,,1,,0,0,1
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C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,0,1,0,0,0,0,0,,0,,0,0
CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1,0,0,0,,0,0,0,0,0,0,,0
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,1,0,0,,0,0,0,0,0,0,,0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12,0,0,0,0,0,0,0,,0,0,0,0
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Cc1ccccc1S,0,0,0,0,0,0,0,0,0,,0,0
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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)COP(=O)([O-])[O-],1,1,,,0,0,0,0,0,0,0,0
CCC(=O)C1CC(C(C)C)CC=C1C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=CCOC(=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
COc1cc(CCC(C)=O)ccc1O,0,0,0,0,0,0,0,0,0,0,0,0
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,0,0
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COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,0,0,0,0,0,0,0,,0,,0,0
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CCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,1,1,0,0,,0,,1,0,0,0,
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Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)C2CCC3C2)c1,,,,,,,,,,0,,
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COc1ccc(/C=C/C(=O)O)cc1,0,0,0,0,0,0,0,,0,,0,0
CC(C)CCCC(C)NCCC(C)C,,,,,,,,0,,0,,
CCCCCCCCCCn1cc[n+](C)c1,0,,0,1,,,,1,0,0,1,
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O=[N+]([O-])c1ccc(Nc2ccccc2)cc1,0,0,0,,,0,0,0,0,0,1,
O=[N+]([O-])c1ccc([O-])cc1,0,0,0,,0,0,0,0,0,0,1,0
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c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1,0,,0,,,,,1,1,1,,1
CC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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c1ccc(CSCc2ccccc2)cc1,0,0,0,0,1,0,0,,0,0,,0
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CC(=O)C(Cl)C(=O)N(C)C,0,0,0,0,0,0,0,,0,0,0,0
N#CC1(N)CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
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CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1,0,0,0,0,0,0,0,0,0,0,0,0
COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O,1,0,0,,0,0,0,,0,,0,0
S=C(SSC(=S)N1CCCCC1)N1CCCCC1,0,,,,,1,0,,1,,0,0
COC(=O)CC#N,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCCCCN,0,0,0,0,0,0,0,0,0,0,0,0
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@@]21C,1,1,,,0,,,,0,,1,0
CC(C)NC(=O)NC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCC(Br)C(=O)O,0,0,0,0,0,,1,,0,,1,
C=CCOCC(O)CO,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCNc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
FC(F)(F)c1ccc(Cl)cc1Cl,0,0,0,,0,0,0,0,0,0,0,0
Oc1ccc(Sc2ccc(O)cc2)cc1,0,0,0,0,1,1,,1,0,0,1,
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Oc1ccc(Nc2ccccc2)cc1,0,0,,0,1,1,,,0,0,1,
C=CC(=O)OCCCCCCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCC(CC)COC(=O)CC#N,0,0,0,0,0,0,0,0,0,0,0,0
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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,,0,0,,,0,0,1,0,1,1,0
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COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-],,,,,,,,0,,0,,
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OC[C@H](O)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,0,0
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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,0,,0,0,0,0,,1,0,0,,0
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c1ccc2sc(SNC3CCCCC3)nc2c1,0,0,1,,,0,0,1,0,1,1,0
NC1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
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COc1ccc(C(=O)/C(Br)=C\C(=O)[O-])cc1,0,1,0,,0,0,1,1,1,,0,1
CN(C)N=Nc1nc[nH]c1C(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(O)C(Cl)(Cl)Cl,,,,,,,,0,,0,,
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CCC(C)CCCC(C)(C)O,0,0,0,0,1,0,0,0,0,0,,0
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CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21,0,,1,1,0,0,,0,0,0,1,0
CC1C2CC(CC2C2CCCC(O)C2)C1(C)C,0,0,0,,1,1,0,,0,,1,
Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1,0,0,0,0,1,0,0,,0,,0,0
CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1,0,0,0,,0,0,0,1,0,0,0,0
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,0,,0,0,0,0,0,0,0,0,,0
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CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC,0,,0,0,0,0,,1,0,0,,0
NNC(=O)CP(=O)(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1,0,0,0,0,0,0,0,,0,,0,0
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OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2,1,0,0,0,0,0,0,,0,,0,0
COc1ccc(/C=N\NC(=O)c2ccncc2)c(C(=O)O)c1OC,0,0,1,0,0,0,0,,0,,0,0
CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1,0,0,1,,1,0,0,,0,,0,0
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21,0,0,0,,,0,0,,0,,,0
CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0,0,0,0,0,0,0,,0,0,,0
CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
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OCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1,0,0,0,,0,0,0,,0,0,,0
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[C@H](N(C)[C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1,0,0,0,0,0,0,,0,0,0,,0
CCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(-c4nnc(C)o4)cc2C)cc1)CC3,0,,,,,0,,,,,1,
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2,0,0,0,,,0,,1,,0,1,0
NC(=O)c1nc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[n-]1,0,0,0,,,0,,1,,,,
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,0,0,0,0,0,0,0,1,0,0,0,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,0,0,,0,0,0,0,0,0,0,0
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,0,,0,0,0,0,,,0,0,,0
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,0,1,1,,1,,0,,1,,1,1
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,0,,0,,,0,,0,,0,,1
CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,0,0,1,,1,0,0,1,1,0,,0
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,1,0,1,1,0,0,,1,0,0,,0
CC[C@H]1OC(=O)[C@H](C)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(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,0,0,0,0,0,0,0,,0,,0,0
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,0,,0,,0,0,,1,,0,1,0
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,0,,1,,,0,,0,1,0,1,
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F,1,0,0,0,,0,0,,0,,,0
Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,0,,,0,0,0,,,0,,1,
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,,,,,,,,,,0,,
NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1,0,0,0,1,,0,0,0,0,0,0,0
NC(CS)C(=O)O,,,,,,,,0,,0,,
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,0,0,,0,0,0,0,0,0,0,0,0
CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1,0,0,1,,,0,0,,0,0,,0
CC(C)(C)NC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCC[N+](C)(C)C,0,,0,1,,0,,1,0,0,0,
CC(C)c1ccc(O)cc1,0,0,0,0,,0,0,0,0,0,,0
Cc1cccc(N)c1N,0,0,1,0,,0,0,1,0,0,1,0
O=C([O-])COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCC[N+](C)(C)C,0,,0,,,0,,1,0,,1,
CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1,0,0,0,0,,0,0,0,0,0,0,0
CCO[Si](CCCNC(N)=O)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)c1sccc1S(N)(=O)=O,0,0,0,0,0,0,0,0,0,0,0,0
NC(=O)CN1CCCC1=O,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCCOC(=O)CCCCC,0,0,0,0,0,0,0,,0,0,0,0
Oc1cccc(O)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCOC(=O)CC,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C\CCOC(=O)C(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCC(=O)OCCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C\CCCCCO,0,0,0,0,,0,0,0,0,0,0,0
CCCCCc1cccc(=O)o1,0,0,0,0,0,0,0,1,0,0,0,0
O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,0,0,0,,,0,0,0,0,,,0
Cc1cc(C)c(/N=N/c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1C,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,0,0,1,1,,1,,0,0,0,1,0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,0,0,1,,,0,0,1,0,0,1,1
CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c2cc1C,0,0,0,,,0,0,0,0,0,,0
CC[N+](C)(CC)CC,0,0,0,0,0,0,0,0,0,0,,0
O=C(NS(=O)(=O)/C=C/c1cccs1)c1ccc(F)cc1Br,0,0,0,0,1,,,0,1,0,,1
CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21,0,0,,,,,,,,,,1
O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Cl,0,0,0,,,0,,,1,0,,1
CCN(CC)C(=O)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C,0,0,0,,0,0,0,,0,0,,
CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl,0,0,,0,0,0,0,,0,0,0,0
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0,0,0,0,0,0,0,0,0
O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1,0,0,1,0,0,0,0,1,0,0,0,0
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc(Oc2ccc(N)cc2)cc1,0,0,1,1,0,0,0,0,0,0,0,0
CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-],0,,0,1,,0,0,0,0,0,,0
C=CCOc1ccccc1OCC(O)CNC(C)C,0,0,0,0,0,0,0,0,0,0,,0
O=C(O)CF,0,0,0,0,,0,0,0,0,0,0,0
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,0,0,,0,,0,0,0,0,0,0,0
CN1C(C(=O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O,0,,0,0,0,0,0,,0,,1,0
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COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC,0,,,,0,0,0,,0,,0,0
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,0,0,0,0,0,0,0,,0,,0,0
c1ccc(CNCc2ccccc2)cc1,0,0,0,,0,0,0,0,0,0,,0
COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC,0,0,0,0,0,0,0,,0,,0,0
C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1,0,0,0,0,,0,0,,0,,0,0
OCCNCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1,0,0,0,0,0,0,0,,0,,,1
CN[C@@]1(c2ccccc2Cl)CCCCC1=O,0,0,0,0,0,0,0,,0,,0,0
ClCCN(CCCl)CCCl,0,0,0,0,0,0,0,1,0,0,0,1
COC(=O)Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCC[n+]1ccccc1,0,0,0,0,,0,0,1,0,0,,
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,0,0,0,0,0,0,0,,0,,,0
CC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
CC[N+]1(C)CCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCC[N+]1(C)CCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCC[N+]1(C)CCCC1.N#CN=C=[N-],0,0,,0,,0,,0,0,0,0,0
C/C(=C(\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N,,,,,,,,0,,0,,
CCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
CCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F,0,0,0,1,,,0,1,,0,1,
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CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,0,,0,0,,0,0,,0,0,,0
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C[n+]1ccccc1/C=N/O,0,0,0,0,0,0,0,0,0,0,0,0
CCCN[C@H]1CCc2nc(N)sc2C1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,0,,0,0,0,0,0,0,0,0,0,0
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CC(=O)NO,,,,,,,,0,,0,,
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,0,0,0,0,0,0,,0,0,0,1,0
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COc1ccc(Nc2ccc(OC)cc2)cc1,0,0,,,1,0,0,0,1,0,,
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COc1cc(C[C@@H](C)N)c(OC)cc1Br,0,0,0,1,0,0,,,0,0,,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl,0,0,,0,1,0,0,,0,0,,0
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CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13,0,0,,0,0,0,0,0,0,1,0,0
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COc1cc(CCN)cc(OC)c1OC,0,0,0,1,0,0,0,0,0,0,0,0
CCCSc1cc(OC)c(CCN)cc1OC,0,,1,,,0,,,1,,,1
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CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,1,0
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CCCC[Sn](CCCC)(CCCC)CCCC,0,,,0,,0,1,1,0,1,1,
CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,1,0,0,0,,0,0,1,0,0,1,
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CCCC(=O)[O-],0,0,0,0,0,0,0,,0,,0,0
CN(C1CCCCC1)C1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
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CN(C)C(C)(C)CO,0,0,0,0,1,0,0,0,0,0,0,0
CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1,0,0,0,0,0,0,0,0,0,0,,0
CC(=O)O[AlH3](O)O,0,0,0,0,0,0,0,0,0,0,0,0
[As]#[In],0,0,0,0,,0,0,0,0,0,0,0
CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)CCCO[C@H]1[C@@H](C(O)CO)O[C@@H]2OC(C)(C)O[C@H]12,0,0,,0,0,0,0,0,0,0,0,0
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
COS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,0,0,,0,,0,0,0,0,0,,
CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,0,0,0,0,0,0,0,0,0,0,0,0
COCCOC(=O)CC#N,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(=O)OC(C)(C)Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
COC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
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COC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C,0,0,0,0,0,0,0,,0,0,0,0
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COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,0,,1,,0,0,,,0,,1,0
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CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,0,0,0,0,0,0,,,0,,0,0
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0,,0,,,,,1,1,1,0,1
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,0,0,0,0,,0,,0,0,0,,0
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CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21,0,,1,,,0,,,1,0,0,
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C,1,1,0,,,0,0,0,0,0,0,0
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CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C,0,,0,0,0,0,,,0,0,,
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1,0,0,0,0,0,0,0,0,0,0,0,0
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Cl[Si](Cl)(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,1,0
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CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,1,1,0,0,0,0,0,1,0
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C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,1,1,0,,0,0,0,,0,,0,0
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CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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C#CC(C)(C)O,0,0,0,0,0,0,0,0,0,0,,0
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CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,0,0,,0,0,0,0,0,0,,1,
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COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,0,0,0,0,0,0,0,0,0,0,0,0
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CC(=O)CC(=O)Nc1ccccc1,1,1,0,0,1,0,0,0,0,0,0,0
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CC(=O)C(C)O,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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CCC(C)S,0,0,0,0,0,0,0,0,0,0,0,0
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,0,0,0,,0,0,0,,0,0,0,0
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O=[N+]([O-])c1ccc(O)c2ncccc12,0,0,1,,,0,0,,0,1,1,
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CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0,0,0,0,0,0,0,0,0,,0
Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
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COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,0,0,,0,0,,0,0,0,0,1,0
CN1CCN(C(=O)C2CCCCC2)CC1,0,0,0,0,0,0,0,0,0,0,0,0
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CCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
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C/C(=C\c1csc(C)n1)C1C[C@@H]2O[C@]2(C)CCC[C@H](C)C(O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,0,,0,0,0,,,,0,,,1
Clc1cc(Cl)c(OCC#CI)cc1Cl,0,,0,,,0,0,,0,,,
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CCCCC[C@@H](O)C1C(=O)OC(C)[C@H](O)C=CC=CC=CC=CC=C(C)C(O)C(O)C(O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O,0,0,0,0,0,0,0,,0,,0,0
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COC(=O)/C=C/c1ccccc1,0,0,0,0,,0,0,0,0,0,,0
CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1,0,0,1,,,0,0,1,1,1,,0
CON(C)C(=O)Nc1ccc(Br)cc1,0,0,1,,,0,0,0,0,0,0,0
CO[C@H]1[C@H]([C@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2,0,,0,,0,,1,1,,1,0,1
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I,0,0,,0,0,0,0,,0,,0,0
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,0,0,1,0,0,0,0,0,0,0,0,0
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32,0,0,0,0,0,0,0,0,0,0,,0
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CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,0,0,,1,,0,0,0,0,0,1,0
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,0,,0,,1,1,0,1,,1,,1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1,1,0,0,0,,1,0,,0,,0,0
c1cnc2cc3c(cc2n1)C1CNCC3C1,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1,0,0,0,0,0,0,0,,0,,,0
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1,0,0,0,0,,0,0,,0,0,0,0
CCC(=O)N(c1ccccc1)C1CCN(Cc2cccs2)CC1,0,0,0,,0,0,,,0,0,0,0
CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2cccs2)CC1,0,0,0,0,,0,0,1,0,0,0,0
CCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2)CC1,0,0,0,0,0,0,,0,0,0,0,0
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FC(F)(Cl)C(F)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,0,0,0,0,0,0,0,0,0,0,0,0
BrC(Br)Br,0,0,0,0,0,0,0,0,0,0,0,0
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,0,,1,,1,,,,1,,0,1
Nc1ccc(Oc2ccc(N)c(N)c2)cc1,1,0,1,,,0,0,1,1,,1,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,0,0,,1,1,0,0,0,0,0,0
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Cc1cc2nc(N)sc2cc1C,0,0,1,,1,0,0,0,1,0,,0
Nc1cc(Cl)ccc1O,0,0,1,0,0,0,,1,0,0,,1
Nc1cc(Cl)c([N+](=O)[O-])cc1O,0,0,,,0,0,,1,0,0,1,0
Nc1nc2c(Cl)cccc2s1,,,1,0,0,0,0,1,0,0,1,0
Cc1cc(=O)n(-c2ccccc2)n1C,0,0,0,0,0,0,0,0,0,0,0,0
CCOc1ccc(NC(C)=O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1cc(Cl)cc(S(=O)(=O)O)c1O,0,0,0,0,0,0,0,,0,0,0,0
CC/C=C/CCO,0,0,0,0,0,0,0,0,0,0,0,0
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c1ccc(SSc2ccccc2)cc1,0,0,0,0,0,0,0,0,0,1,0,0
CCOC(=O)c1cccc(N)c1,0,0,,,,0,0,0,0,0,0,0
CC/C=C\CCO,0,0,0,0,0,0,0,0,0,0,0,0
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COc1ccc(OC)c(NC(=O)CC(C)=O)c1,0,0,1,0,0,0,0,0,0,0,,0
COP(=O)(NC(C)=O)SC,0,0,0,0,0,0,0,0,0,0,0,0
C1=Cc2cccc3cccc1c23,0,0,,0,0,0,0,0,0,0,0,0
ON(Cc1ccccc1)Cc1ccccc1,0,0,0,,0,0,0,0,0,0,0,0
N#Cc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)c1ccccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
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CC1=C(Br)C(=O)C(Br)=C/C1=C(\c1ccccc1S(=O)(=O)[O-])c1cc(Br)c(O)c(Br)c1C,0,0,,,,0,0,0,0,0,,0
CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,0,0,,1,,,0,,,,1,
O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1,0,0,0,0,0,0,0,,0,0,,0
COC(C)(C)CCCC(C)CC=O,0,0,0,0,0,0,0,0,0,0,,0
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CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl,0,,1,,1,0,0,0,0,0,0,0
C=C[Si](C)(C)O[Si](C)(C)C=C,0,0,0,0,0,0,0,0,0,0,0,0
NNC(=O)c1cccc(C(=O)NN)c1,0,0,1,0,0,0,0,0,0,0,,0
O=[N+]([O-])C=Cc1ccccc1,0,1,0,,0,0,,,,1,,1
COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl,0,0,0,1,,,,1,,0,,0
CCOP(=O)(Sc1ccccc1)Sc1ccccc1,0,0,0,0,,0,,,0,0,,0
CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,0,0,,0,0,0,0,0,0,0,0,0
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,0,0,0,1,0,0,,,0,,,0
CCCC(C)(COC(N)=O)COC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,1,0,,0,0,0,0,0,0,0,0
Cc1cc(C)cc(OCC2CNC(=O)O2)c1,0,0,0,0,0,0,0,0,0,0,0,0
N#CSCc1ccccc1,0,,0,0,0,,0,0,0,0,0,1
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O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ba+2],0,0,0,0,0,0,0,,0,,0,0
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],0,0,0,0,0,0,0,,0,,0,0
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CNC.O=C(O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0,0,0,0,1,0,0,0,0,0,0,1
Cc1ccc(C(C)(C)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(=O)OC(=O)CCC,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=CCC/C(C)=C\CO,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(-c2ccc(N)c(OC)c2)ccc1N,0,0,0,0,0,0,0,1,1,0,1,0
CCCCCCC(O)CCCCCCCCCCC(=O)O,0,0,,0,0,0,1,1,0,0,0,0
CCCCOC(=O)/C=C\C(=O)OCCCC,0,0,0,,0,0,0,,0,,,
CC(C)=CCC/C(C)=C/CO,0,0,0,0,1,1,0,0,0,0,0,0
CC(C)=CCCC(C)CCO,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCC[N+](C)(C)CCCCCCCC,0,0,0,,,0,,,,,1,0
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CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,0,0,0,0,0,0,0,0,0,0,0,0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12,0,0,0,0,,0,0,0,0,0,0,0
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C1CS1,0,0,0,0,0,0,0,0,0,0,0,0
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CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,0,0,0,0,1,1,0,0,0,0,0,0
CNC[C@H](O)c1ccc(O)c(O)c1,0,0,,0,0,0,0,0,0,0,0,0
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CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1,0,0,1,1,,0,0,1,0,0,1,0
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CC(C)N(C(=O)CCl)c1ccccc1,0,0,,,,0,,,0,,0,1
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C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2,0,0,0,0,1,1,0,,0,,1,0
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CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,0,0,0,0,0,0,0,,0,,,0
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O,0,0,0,,0,0,0,0,0,0,0,0
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O,0,1,0,,,,0,,1,,1,1
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CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1Cl,0,0,0,,0,0,0,0,0,0,,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O,0,0,0,0,0,0,,1,0,0,,0
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,0,1,0,,,,,,0,1,1,
CCOC(=O)c1ccccc1OC,0,0,,0,0,0,0,0,0,0,0,0
CCCCCCCOC(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
CC(C)C(=O)Nc1cccc(C2CN3CCSC3=N2)c1,,,,,,,,0,,0,,
CCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
Brc1ccc(-c2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
OCC(CBr)(CBr)CBr,0,0,,,0,0,0,,0,,0,0
O=C(O)C(Cl)Br,0,0,0,0,0,0,0,1,0,0,,0
O=C(O)C(Cl)(Cl)Br,0,0,,0,0,0,0,0,0,0,0,0
Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,1,0,,0,0,1,0,0,1,0
NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC[n+]1ccccc1,1,1,0,0,,0,0,1,0,0,0,0
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1,,,,,,,,,,0,,
CC(C)C(=O)Nc1cccc(C(F)(F)F)c1,,,,,,,,0,,0,,
Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,,,,,,,,,,0,,
CCCCC(O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O,,,,,,,,0,,0,,
CCCC[n+]1ccccc1.F[B-](F)(F)F,0,0,0,0,1,0,0,0,0,0,0,0
CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21,,,,,,,,0,,0,,
CCC(=O)O[C@@H]1C=C2CCC3C(CCC4(C)C3CC[C@@H]4OC(=O)CC)C2CC1,,,,,,,,0,,0,,
COc1cc2c(cc1OC)C(=O)CC2,,,,,,,,0,,0,,
O=c1[nH]c2ccccc2n1C1CCNCC1,,,,,,,,0,,0,,
OCCCCCCCl,0,0,0,0,,0,0,0,0,0,0,0
COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C,0,0,0,0,0,0,,1,0,0,0,0
O=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1,,,,,,,,,,0,,
c1ccc(-c2ccccn2)nc1,0,0,,0,0,0,0,,0,,0,0
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O,0,0,0,0,0,0,0,,0,,0,0
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O=C(Nc1cccc(Cl)c1)OCC#CCCl,0,,1,,,0,,1,,1,1,1
CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1,0,0,0,0,0,0,0,1,0,0,0,0
CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2,0,0,0,0,,0,0,0,0,0,0,
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0,0,0,0,0,0,,0,,0,0
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc2c(c1)sc1ccccc12,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccccc1F,0,0,0,0,0,0,0,0,0,0,0,0
Fc1ccccc1-c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1cccc(Nc2ccccc2)c1,0,0,,,1,1,0,,0,0,1,0
C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,0,0,0,,,0,,,0,,,
CC(C)=CC(=O)C=C(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)CCC=C(C)CCC=C(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)C(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)C1=C(C)[C@@H]2C[C@]3(C1)[C@@H](CC[C@H]3C)C2(C)C,0,0,0,0,0,0,0,0,0,0,0,0
C=COCC(C)C,0,0,0,0,0,0,0,0,0,0,,0
C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=CC=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C#N)C(C)(C)C#N,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)c1ccc(N(C)C)cc1,0,0,1,,,0,,1,0,0,0,0
CN(C)CCN(C)C,,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N,0,0,1,0,0,0,0,0,0,0,,0
CSSC,0,0,0,0,0,0,0,0,0,0,0,0
CCOc1ccccc1N,0,0,1,0,0,0,0,0,0,0,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,0,0,0,0,1,1,0,,0,,0,0
CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1,0,,,,,0,,,0,,,
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O,0,0,0,0,,0,,,0,,1,
CC(C)C(C)C,,,0,0,,0,0,0,0,0,,0
CCC(C)(C)C,0,0,0,0,0,0,0,0,0,0,,0
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)C[C@@H]1O,0,0,,0,,0,,,,,1,
CC(Cl)(Cl)[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCC=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)C(=O)O,0,0,0,0,,0,0,0,0,0,0,0
O=[N+]([O-])C(Br)Br,0,0,,,0,0,0,1,,0,1,
CCC(C)C(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
CC(C)C=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(C)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(N)no1,0,0,0,0,0,0,0,,0,0,0,0
N=C(N)NN=Cc1c(Cl)cccc1Cl,,,,,,,,0,,0,,
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12,0,0,0,0,0,0,0,,0,,0,0
C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C,0,0,0,0,0,0,0,,0,0,0,0
CNCCCCOc1ccccc1Cc1ccccc1,0,0,0,,0,0,,,0,0,,0
Cc1ccc2c(c1)c1c3n2CCNC3CCC1,0,0,1,0,0,0,,0,0,0,,0
CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,0,,,0,,,0,,0,0,,0
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0,0,0,0,0,0,0,,0,,1,0
CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,0,0,0,1,0,0,0,0,0,0,0,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0,0,0,0,,0,,0,0
CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,0,0,1,,1,0,0,0,0,0,1,0
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl,0,0,0,0,,0,0,0,0,0,0,0
NCCCNCCSP(=O)(O)O,,,,,,,,0,,0,,
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,1,0,0,,0,0,0,0,0,0,0,0
Cc1ccc([N+](=O)[O-])cc1N,0,0,1,0,0,0,0,0,0,0,0,0
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,0,0,0,0,1,0,0,0,0,0,0,0
O=P(O)(O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
C(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1,0,0,,0,0,0,0,,0,0,0,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,1,1,0,,1,1,0,,0,,,0
CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,0,0,,,0,0,0,0,0,0,0
CC(C)c1ccccc1O,0,0,0,0,0,0,0,0,0,0,0,0
CNC(=S)NN,0,0,,,,0,0,0,0,1,0,0
CC(=N\O)/C(C)=N/O,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc2ccccc2c1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCBr,0,0,0,,0,0,0,,0,0,,0
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO,0,0,0,0,0,0,0,,0,,0,0
O=S(=O)(O)C(F)(F)F,0,0,0,0,,0,0,0,0,0,0,0
COCCOCCOCCOCCOC,0,0,,0,0,0,0,0,0,0,0,0
O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc([Bi](c2ccccc2)c2ccccc2)cc1,0,0,0,0,1,0,0,,0,,,0
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,1,1,,0,0,0,0,,0,,0,0
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,0,0,,0,0,0,0,,0,,0,0
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0,0,0,0,0,0,0,0,0,0,0
CN1CCOC(c2ccccc2)c2ccccc2C1,0,0,0,0,1,0,0,0,0,0,0,0
CCO[Si](C)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC[Si](OCC)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,,0
CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)OC1CC(C)OC(C)O1,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc(N)c(OC)c1,0,0,0,0,0,0,0,0,0,0,,0
COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O,0,0,1,0,0,0,0,0,0,0,0,0
O=C(O)CCCCCCCCCCC(=O)O,0,0,0,0,1,0,0,0,0,0,0,0
CCC(C)NC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCSCCCl,0,0,0,0,0,0,0,,0,0,0,0
CCCC[Sn](Cl)(Cl)CCCC,0,,,1,,1,,1,,1,1,
C=C(C)C(=O)OCC(CC)CCCC,0,0,0,0,0,0,0,0,0,0,,0
CO[Si](OC)(OC)OC,0,0,0,0,0,0,0,,0,0,0,0
CC(COc1ccccc1)N(CCCl)Cc1ccccc1,0,0,0,0,1,1,0,1,0,1,1,
[C-]#N.[Cu+],0,0,0,0,1,0,0,0,0,0,0,0
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,0,0,0,0,,,0,0,0,0,0,0
O=C1c2ccccc2C(=O)C1c1ccccc1,0,0,,0,0,0,0,0,0,0,0,0
Clc1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
OCCN(CCO)c1ccccc1,0,0,0,0,,0,0,0,0,0,,0
O=C(c1ccccc1)c1ccccc1,1,0,0,0,1,0,0,0,0,0,0,0
CCOc1cc(C=O)ccc1O,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(C=O)ccc1O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)C(=O)CCl,0,0,0,0,0,0,0,0,0,0,0,0
COC1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1OC(C)=O,0,0,0,0,0,0,0,,0,,0,0
CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,0,0,,0,,0,0,1,0,0,0,0
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,0,,0,0,,,,,,,,
CCCCC(CC)COP(=O)(O)O,0,0,0,0,0,0,,,0,0,,
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(C)(C#N)/N=N/C(C)(C#N)CC,0,0,0,0,0,0,0,0,0,0,0,0
CC(S)C(=O)NCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc2nsnc2c1NC1=NCCN1,1,0,0,0,0,0,0,0,0,0,0,0
O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,0,0,0,0,0,0,0,,0,,0,0
COC1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1,0,0,0,0,,0,0,0,0,0,0,0
O=C(CCCN1CCC(n2c(=S)[nH]c3ccccc32)CC1)c1ccc(F)cc1,0,0,1,1,,0,,,,,0,0
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,0,0,0,0,1,1,0,0,0,0,0,0
CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,,,,,,,,,,0,,
C=CCCCCCCCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
O=C1CCCO1,0,0,0,0,0,0,0,0,0,0,0,0
[Cd+2],0,,1,,0,,,,1,1,0,
CC(C)(C)c1ccc(O)cc1,0,0,0,0,0,0,0,0,0,0,1,0
CC(C)(C)c1cc(O)ccc1O,0,0,1,1,0,0,0,1,0,0,1,0
CC1CC(=O)O1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCNC(N)=O,0,0,0,0,0,0,0,0,0,1,0,0
CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,0,0,,,1,0,1,0,0,0,0,0
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12,0,0,0,0,0,0,0,0,0,0,0,0
N#CCN(CC#N)CCN(CC#N)CC#N,0,0,0,0,0,0,0,0,0,0,,0
CC(O)C(CO)C(C)O,0,0,0,0,0,0,0,0,0,0,0,0
COCCOCCOCCOCCOCCO,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl,0,0,0,0,0,0,0,1,0,0,0,0
CCCCCC=CCC1CC(=O)OC1=O,0,0,0,0,0,0,0,,0,0,,0
CCCCCCCCCCCCCN1CC(C)OC(C)C1,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0,0,,0,0,0,0,0,0,1,0
Clc1cc(Cl)nc(Cl)n1,0,0,0,0,0,0,,1,,0,0,0
C[n+]1ccn(CCO)c1.F[B-](F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
CC(CC(=O)Cl)CC(C)(C)C,0,0,0,,0,0,0,0,0,0,0,0
CC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,,0,0,0,0
CCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,,0,,,0,,1,0,0,,0
CCCC[N+]1(C)CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CC[C@H](N)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccnc(Cl)n1,0,0,0,0,0,0,0,0,0,0,,0
CCCC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C\CCCCCCCCCCOC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC,0,0,0,,0,0,,,0,,1,0
CC(=O)c1ccc2c(c1)Cc1ccccc1-2,0,0,1,,1,,0,1,0,0,,0
NC(=O)c1cnccn1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COCC1CO1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,0,,0,0,0,0,0,1,0,0,1,0
CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,0,0,1,0,,0,,,,0,1,0
C=C(C)C(=O)OCC(C)O,0,0,0,0,0,0,0,0,0,0,0,0
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,0,0,,0,0,0,0,,0,0,0,0
CCCCCCCCBr,0,0,0,0,0,0,0,0,0,0,0,0
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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,0,,0,,,0,,,1,,,1
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1,1,,,1,1,0,,0,,0,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C,1,1,0,0,1,0,0,,0,,0,0
COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,0,0,1,,,,0,0,0,0,,1
Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1,0,,0,0,0,0,0,0,0,0,0,0
CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,0,0,,0,,0,0,,0,0,,0
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312,,,0,,1,0,1,,,,,1
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OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
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C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C,0,0,0,0,0,0,0,0,0,,0,0
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CCCCCCCCC(CCCCCC)C(=O)O,0,0,0,,0,0,,,0,,,
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CC[C@H](OC(C)=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1,0,0,0,,,0,,,0,0,,0
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CC(C)(C)OC(=O)c1ccc(O)cc1,0,0,,,1,1,0,,0,0,1,0
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CC(C)CC(C)(N)C#N,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C.O=C(O)CCC(=O)O,0,0,0,0,1,0,0,,0,,0,0
CC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1,0,0,0,0,,0,0,0,0,0,0,0
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CNC(=S)[S-],0,0,0,0,0,0,0,0,0,0,0,0
CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-],0,0,0,0,0,0,,0,0,0,0,0
CC1(C)C(=O)N(Br)C(=O)N1Cl,0,0,0,0,0,0,0,1,0,0,,0
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COCCO,0,0,0,0,0,0,0,0,0,0,,0
C1=CCC([Ti+2]C2=CC=CC2)=C1,0,0,0,,0,0,0,,0,,0,0
COC(=O)Cl,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,0,0,0,0,0,0,0,0,0,0,0,0
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CC(=O)Nc1cccc(N)c1,0,0,,0,0,0,0,0,0,0,0,0
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CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0,0,0,0,0,0,0,1,0
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CCCCCCCCCCCCOCCOS(=O)(=O)[O-],0,0,0,,,0,,,0,0,0,
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COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1,0,0,0,0,0,0,0,0,0,0,,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,0,0,0,0,0,0,0,,0,,0,0
CNC(=O)O/N=C/C(C)(C)S(C)(=O)=O,0,0,0,0,0,0,0,0,0,0,0,0
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CC(C)(C)c1ccc(N)cc1,0,0,0,0,,0,0,0,0,0,0,0
CCCc1ccc(N)cc1,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,0,,,,0,,,,,,1,1
CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,0,,0,,0,0,1,,0,0,,0
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,0,0,0,0,0,0,,0,0,,,0
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0,0,1,,,0,0,1,0,,0,0
C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,1,0,0,,0,,0,1,0,0,0,0
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Oc1ccccc1Cc1ccccc1O,0,0,0,0,0,,0,1,0,0,1,0
CCC(=O)Nc1ccc(Cl)c(Cl)c1,0,0,1,0,,0,0,0,0,0,,0
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CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1,0,0,0,,1,1,,1,0,0,1,1
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CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0,0,0,0,1,0,0,0,0,0,0,0
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C[N+](C)(C)CCCCCC[N+](C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
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COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=NOCC1,0,0,,0,0,0,0,0,0,0,0,0
CC(C)(C)c1ccc(CCC=O)cc1,0,0,0,,0,0,0,0,0,0,0,0
CCCCC(=O)OCC(=O)[C@H]1[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,1,1,,,0,0,0,0,0,0,0,0
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C1CC(COCC2CO2)CCC1COCC1CO1,0,0,0,,0,0,,,0,0,0,0
COC(=O)CCCCCCCCC(=O)OC,0,0,0,0,0,0,0,0,0,0,,0
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,0,0,0,1,,,,1,1,1,0,1
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CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,0,0,0,0,0,0,0,,0,,0,0
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NCC1(Cc2noc(=O)[nH]2)CCCCC1,0,0,0,0,0,0,0,,0,0,,0
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21,0,0,0,,,0,,,0,0,1,
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Cc1ccc(Br)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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C(CCOCC1CO1)COCC1CO1,0,0,0,,0,0,0,1,0,0,0,
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COc1ccc2c(c1)CCCC2=O,,,,,,,,0,,0,,
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CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,,,,,,,,0,,0,,
C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)/C(C)=N/O,,,,,,,,0,,0,,
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1,,,,,,,,0,,0,,
CC[N+]1(CC)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,,,,,,,,0,,0,,
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O)C2,,,,,,,,0,,0,,
CC[S+](C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,,0,0,0,1,0,0,0,0,0,,0
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CCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,1,,,0,1,,0,,
Cl[Au](Cl)Cl,0,,0,,,1,,1,,1,,
CC(=O)OC(C)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(S(=O)(=O)[O-])c(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
OCCCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
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CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,0,,0,,,0,,,0,0,,0
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COc1ccc(Br)c(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1c(Cl)c(Cl)cc(Cl)c1Cl,0,,,1,,0,,1,,0,1,
O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1,,0,,,0,0,0,1,0,0,0,0
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COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC,0,0,1,0,0,0,0,1,0,0,0,0
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1,0,0,0,0,0,0,0,0,0,0,,0
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21,0,0,0,0,0,0,0,0,0,0,0,0
CNC(=O)Oc1cc(C)cc(C(C)C)c1,0,0,0,0,0,0,0,0,0,0,,0
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,0,0,0,0,1,0,0,0,0,0,,0
COc1cc(C)nc(-n2nc(C)cc2OC)n1,0,0,,0,0,0,0,0,0,1,0,0
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,0,0,0,0,0,0,0,,0,,,0
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,0,0,0,0,0,0,0,0,0,0,,0
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,,,,,,,,,,0,,
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,0,0,0,,,,0,0,0,0,1,1
Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,0,0,0,0,0,0,0,0,0,0,,0
CC[N+](C)(C)Cc1ccccc1Br,0,0,0,0,0,0,0,,0,,0,0
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,,,,,,,,,,0,,
CSC(=O)c1cccc2nnsc12,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC1CCC(O)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C)c(C(=O)O)c(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCOc1ccc(N)cc1,0,0,,0,,0,0,0,0,0,0,0
CC(C)C(=O)c1ccccc1,0,0,,0,0,0,0,0,0,0,0,0
O=C(c1ccccc1)C1CCC1,0,0,0,0,0,0,0,0,0,1,0,0
CC(C)(C)c1ccc(S)cc1,0,0,0,,,0,0,0,0,0,0,0
CCCCCCOc1ccc(O)cc1,0,0,,,1,0,,1,1,0,1,1
CCCC1CCC(=O)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(CC)CCCCCCCN,0,0,0,0,0,0,0,0,0,0,,0
CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@H]1O,0,0,0,0,0,0,0,,0,,0,0
C=C(C)C(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CCOS(C)(=O)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC=C1CC2C=CC1C2,0,0,0,0,0,0,0,0,0,0,0,0
COP(=O)(O)OP(=O)(O)OC,0,0,0,,0,0,0,,0,0,0,0
CCCCC(CC)COCCCN,0,0,0,0,,0,0,0,0,,,0
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COCCC#N,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1,0,0,0,0,0,0,0,0,0,,,0
Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,0,0,0,0,0,0,,,0,0,0,0
O=NN(CCCl)C(=O)NC1CCCCC1,,,,,,,,0,,0,,
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,,,,,,,,,,0,,
C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1,1,0,,1,1,0,,0,,1,
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0,0,0,0,0,0,1,0,0,0,,0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,0,0,0,0,0,0,0,,0,,0,0
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0,0,0,0,,0,0,1,,,,1
COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1,0,0,0,0,0,0,0,0,0,0,0,0
CCCSP(=S)(OCC)Oc1ccc(SC)cc1,0,0,1,0,0,0,0,0,0,,,0
Cc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1,0,0,0,0,,0,0,0,0,0,,0
Cc1cc(Cl)ccc1OCC(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
O=C(CS)Nc1ccccc1,0,,1,0,1,0,0,0,0,,,1
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,0,0,0,0,,0,,0,0,0,,0
C[Si](C)(C)O[Si](C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
C=C(C)CC(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)=CC(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1,0,0,,0,0,0,0,,0,,0,0
COc1cc(C(=S)N2CCOCC2)ccc1O,0,0,0,0,0,0,0,0,0,0,0,0
Cn1c(=N)[nH]c2[nH]cnc2c1=O,0,0,,0,0,0,0,0,0,0,0,0
O=C(O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,0,0,0,,0,0,0,,0,,0,0
O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)s1,0,0,0,0,0,0,0,,0,,0,0
COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC,0,0,0,0,,0,0,0,0,0,0,0
C[C@H]1[C@@H](c2ccccc2)N=C(O)N1C,0,0,0,0,0,0,0,0,0,0,,0
CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCC(C=O)CC,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)NC(=O)c1ccccc1O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C,0,0,,0,0,0,0,0,0,0,,0
BrCC(Br)C1CCC(Br)C(Br)C1,1,0,0,0,0,0,0,,0,0,1,0
CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl,0,0,1,,1,0,0,0,1,0,0,0
Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,0,0,0,0,0,0,0,0,0,0,0,0
OCC(Br)=C(Br)CO,0,0,,0,,0,0,0,0,0,,0
BrC/C=C/CBr,0,0,0,0,0,0,0,,0,0,0,0
N#CC(Br)Br,0,0,0,0,0,0,0,1,1,0,0,0
CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl,0,0,,,,0,,1,0,,1,0
CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-],0,1,0,,,0,,,0,0,1,
O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I,0,0,0,0,0,0,,,0,,1,
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,0,0,0,0,1,1,0,,0,,0,0
C=C(C#N)CCC#N,0,0,0,0,0,0,0,1,0,0,0,0
BrCc1cccc(Oc2ccccc2)c1,0,0,0,0,1,,0,,0,0,,0
CC1(C)Cc2cccc(O)c2O1,0,0,0,0,0,0,0,0,0,0,0,0
SC1CCCCC1,0,0,0,0,0,0,0,0,0,0,,0
CCCCOCCOCCOCCOCCO,0,0,0,0,,0,0,0,0,0,0,0
O=S(=O)([O-])CCO,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(OC(=O)c2ccccc2O)cc1,0,0,0,,0,0,0,0,0,0,0,0
C=CCOCC(O)CS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,,0
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],0,0,1,0,1,,,,0,0,,0
COC(=O)CCCCC(CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O,,,,,,,,0,,0,,
Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12,,,,,,,,0,,0,,
COc1ccc(C)cc1N,0,0,1,0,0,0,0,0,0,0,0,0
CC(C)NC(=O)c1ccc(C=O)cc1,,,,,,,,0,,0,,
CCCCOCCOC(=O)c1cccnc1,,,,,,,,0,,0,,
Cc1ccc([N+](=O)[O-])c2c1O[Hg]2,,,,,,,,,,1,,
COc1cc(CC#N)cc(OC)c1OC,,,,,,,,0,,0,,
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,,,,,,,,0,,0,,
CCC(=O)O[C@]1(C(=O)COC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,,,,,,,,0,,0,,
C#CC(C)(CC)OC(=O)c1ccccc1C(=O)O,,,,,,,,0,,0,,
CCCCCOc1ccccc1/C(=C\SC)n1ccnc1,,,,,,,,1,,1,,
CC[Hg]Sc1ccccc1C(=O)[O-],0,1,,,,1,1,1,1,1,,1
C=C(C)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O,0,0,1,0,0,0,0,,0,0,0,0
CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,0,0,0,0,0,0,,,0,,,0
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1,0,0,0,0,,0,,0,0,,,0
O=C(O)c1cc(Br)c(O)c(Br)c1,0,0,0,,0,0,0,0,0,0,0,0
CCCCC(CC)COC(=O)c1ccccc1,0,0,,0,0,0,0,0,0,0,,0
COC(=O)c1c(C)cc(O)c(C)c1O,0,,0,0,1,,0,0,0,0,1,0
CCCCCC1CCCC(=O)O1,0,0,0,0,0,0,0,0,0,0,0,0
N#Cc1ccc(C(=O)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
NCCc1cc[nH]n1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,0,0,0,0,0,0,0,,0,0,0,0
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,0,0,0,0,0,0,0,,0,0,,0
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,1,0,,0,0,0,0,1,0,0,,0
N[C@@H]1C[C@H]1c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,0,0,0,0,0,0,0,0,0,0,,0
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,
NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,,0,1,0,,0,1,1,1
CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0,0,0,0,0,1,0,0,0,1,0
C=CC(C)CCCC(C)(C)O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc(C#N)c1,0,0,0,0,1,0,0,0,0,0,,0
CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccccc1N,0,0,0,0,1,0,0,0,0,0,0,0
NCc1cccc(CN)c1,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)CCC(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
COP(=O)(O)OC,0,0,0,0,0,0,0,0,0,0,0,0
CNC(=O)NC,0,0,0,0,0,0,0,0,0,0,0,0
Cl[Dy](Cl)Cl,0,0,0,0,0,0,,0,0,0,,0
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,0,0,0,0,0,0,0,0,0,0,,0
O=C(O)CCNC(=O)c1ccccc1,0,0,0,,,0,0,0,0,0,0,0
OCC(O)CN1CCN(c2ccccc2)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,0,,,0,0,,0,1,1,0,0,1
Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,0,,1,0,0,,0,1,0,0,1,
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,0,0,0,0,0,0,0,,0,,0,0
O=c1cc(CO)occ1O,0,0,0,0,0,0,0,0,0,0,0,0
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1,0,0,0,0,0,0,0,0,0,0,0,0
NC(=S)Nc1cccc2ccccc12,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1,0,,1,0,0,,,0,0,0,0,0
c1ccc2ccccc2c1,0,0,0,0,0,0,0,0,0,0,0,0
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(Oc1ccc(C2CCCc3ccccc32)cc1)C(=O)O,0,0,0,0,1,0,1,,0,,0,0
CS(=O)(=O)OCCCCOS(C)(=O)=O,0,0,0,0,1,0,0,0,0,0,0,0
NCCNc1cccc2ccccc12,0,0,1,1,0,0,0,0,0,0,,1
Nc1cccc2c(N)cccc12,0,0,1,0,,0,0,1,0,0,1,0
O=C(O)Cc1cccc2ccccc12,0,0,0,0,0,0,1,0,0,0,0,0
NC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0,,0,0,0,0
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,0,0,0,0,0,0,0,,0,,0,0
CCCSSCCC,0,0,0,0,0,0,0,0,0,0,0,0
C=Cc1c(C)c2cc3nc(c(CC(=O)[O-])c4[n-]c(cc5nc(cc1[n-]2)c(C)c5CC)c(C)c4C(=O)[O-])C(CCC(=O)[O-])C3C.[Cu+2],0,0,1,0,0,0,0,,0,,0,0
CCC1(c2cccc(O)c2)CCCCN(C)C1,0,0,0,0,0,0,0,0,0,0,,0
CC(C)C[C@H](CN)CC(=O)O,0,0,0,0,1,0,0,,0,,0,0
CCC(=O)NCCC1CCc2ccc3c(c21)CCO3,0,0,0,0,1,0,0,,0,,,0
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,0,0,0,,,0,,,0,0,1,1
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,,,,,,,,,,0,,
O=C(CCCCCCCCCCCCC1CCCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCCCCCCCCCCCC3CCCC3)cc2)cc1,0,0,0,0,0,0,0,,0,,0,0
Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,0,0,0,,,0,0,0,0,0,1,1
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,0,,0,0,,0,0,,0,,,
NCCC(O)(P(=O)(O)O)P(=O)(O)O,,,,,,,,0,,0,,
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,0,0,0,0,0,0,0,,0,,0,0
COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,0,0,1,,,0,0,1,0,0,0,0
CC1(C)NC(=O)NC1=O,0,0,0,0,0,0,0,0,0,0,0,0
CC1OC(C)OC(C)O1,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0,0,0,0,0,0,0,0,0,0,0,0
NCCCN(CCO)CCO,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccccn1,0,0,0,0,0,0,0,0,0,0,,0
CCOc1ccc(OCC)c(Cl)c1,0,0,0,0,0,0,0,0,0,0,,0
O=C([O-])C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1,0,0,0,0,0,0,0,0,0,0,0,0
N#CC(Cl)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,,0
NC(=O)C(Cl)(Cl)Cl,0,0,0,0,1,0,0,1,0,0,0,0
Nc1nc(-c2ccccc2)cs1,0,0,1,,1,0,0,1,,0,1,0
CC(=O)C(Cl)(Cl)Cl,0,0,0,,,,,,0,0,1,0
C(=C(c1ccccc1)c1ccccc1)c1ccccc1,0,0,,0,1,1,0,0,0,0,1,0
CCOCCOC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCBr,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1,0,0,,,1,,,1,0,1,1,
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[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-],0,1,,,,1,1,,1,1,1,1
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[O-][n+]1cc[n+]([O-])c2ccccc21,0,0,,0,0,0,0,,0,,0,0
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Oc1ccc2c(c1)Cc1ccccc1-2,1,0,,,1,1,0,1,,0,,1
Cc1nnc(-c2ccccc2)c(=O)n1N,0,0,1,0,,,0,0,0,0,0,0
CCC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,0,0,0,0,0,0,0,0,0,0,0,0
C/C=C(\C)C(=O)OCC/C=C\CC,0,0,0,0,0,0,0,0,0,0,0,0
CC/C=C\CCOC(=O)CCCCC,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O,0,0,0,1,0,0,0,0,0,,1,
Cc1ccccc1C(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)c1ccccc1N,0,0,0,0,0,0,0,0,0,0,0,0
CNc1ccc(O)cc1.CNc1ccc(O)cc1,0,0,1,,0,,,1,,,1,
CC1=CC[C@@H]2C[C@H]1C2(C)C,0,0,0,0,0,0,0,0,0,,0,0
COc1c2ccoc2cc2oc(=O)ccc12,0,0,1,,0,0,0,0,0,0,0,0
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,0,0,0,0,0,0,0,0,0,0,0,0
CN[C@]1(c2ccccc2Cl)CCCCC1=O,0,0,0,0,0,0,0,,0,,0,0
CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,,,,,,,,0,,0,,
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,1,1,,,1,1,,,0,,1,
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,0,0,0,0,,0,0,1,0,0,0,0
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,0,0,,0,0,0,,0,0,0,,0
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,1,1,0,,1,1,0,,0,,0,0
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CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21,0,0,0,0,0,0,0,,0,,0,0
CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN,0,0,0,0,0,0,0,,0,,0,0
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O,0,0,0,0,0,0,0,0,0,0,,0
N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl,0,,0,,0,0,,,,,1,1
CCCCCCCCCCCCN(CCO)CCO,0,,0,,,0,,,,,,
CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1,0,0,0,,0,0,0,0,0,0,,0
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,,0
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CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,0,0,0,0,0,0,0,0,0,0,1,0
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,,,,,,,,0,,,,
CC(CO)Oc1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,0,0,0,0,0,0,0,0,0,0,,0
CC(CCO)CC(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,,,,,,,,0,,0,,
CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,0,,,,,,0,1,,1,,
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,,,,,,,,,,0,,
N=C(Nc1ccccc1)Nc1ccccc1,0,0,1,,,0,0,1,0,0,,0
Cc1ccc(C)o1,0,0,,0,0,0,0,0,0,0,0,0
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C,0,0,0,0,0,0,0,,0,,1,0
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C,0,0,0,,0,0,0,0,0,,1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,0,,0,1,,0,,,0,,0,1
OCCN1CCOCC1,0,0,0,0,0,0,0,0,0,0,,0
CCSC(=O)N(CC)CC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCc1c(C)nc(NCC)nc1O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COCCO,0,0,0,0,0,0,0,0,0,0,0,0
COCCCOCCCOC,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O,1,1,0,0,1,0,1,0,0,0,1,0
CCCc1ccc(OC)cc1,0,0,0,0,,0,0,0,0,0,0,0
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-],0,0,0,0,0,0,0,,0,,1,0
O=N[O-],0,0,0,0,0,0,0,0,0,0,0,0
O=C(CBr)c1ccc(O)cc1,0,0,0,,0,0,0,,0,,,0
O=[N+]([O-])c1ccc(Oc2ccc(N=C=S)cc2)cc1,0,0,0,1,,0,,,0,,,1
CCO[C@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,0,0,0,0,0,0,1,,0,0,0,0
C1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12,0,0,0,0,0,0,0,,0,,0,0
CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1,0,0,0,0,0,0,0,,0,,0,0
c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2,0,0,0,0,0,0,0,,0,,0,0
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,0,,,,,1,,,1,,1,
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,,1,0,,0,0,0,,0,,0,0
CCCCCCCCCC(=O)N[O-],0,0,0,,0,0,0,,0,,0,0
CN(C)CCOc1ccccc1Cc1ccccc1.Nc1ccc(C(=O)O)c(O)c1,0,0,0,0,0,0,,,0,,,0
FC(F)(F)c1ccccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
ClCCBr,0,0,0,0,0,0,0,0,0,0,0,0
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FC(F)(F)c1cccc(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)Oc1cccc(C)c1,,,,,,,,0,,0,,
C1COCCO1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,0,,,0,,0,0,1,0,0,1,0
COC(=O)C(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-],0,0,0,0,0,0,0,1,0,0,,0
CC(Br)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Brc1ccc(Oc2ccccc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,0,0,0,0,0,0,,,1,0,0,
CCCC(C)C1(CC)C(=O)N=C(O)NC1=O,0,0,0,0,0,0,0,,0,,0,0
CCCCCCCCCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
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COc1nc(NC(C)C)nc(NC(C)C)n1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,0,0,0,0,0,0,1,0,0,0,0,0
Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1,0,0,0,0,1,1,0,,0,,1,
CC(=O)CCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,,,,,,,,,,0,,
Cc1ccc(N)cc1C,0,0,1,0,1,0,0,0,0,0,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,0,0,0,0,0,0,0,,0,,0,0
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,0,,,,0,0,,,1,,,0
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,0,0,0,0,0,0,,0,0,0,0,0
COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0,,0,0,0,0
CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0,1,0,0,0,0
O=c1ccc(=O)[nH][nH]1,0,0,0,0,0,0,0,0,0,0,0,0
S=C([S-])NCCNC(=S)[S-].[Mn+2],0,0,0,0,0,0,0,1,0,0,0,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0,0,0,0,0,0,0,,0,0,0,0
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,0,0,0,0,0,0,0,0,0,0,,0
O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1,0,0,0,0,0,0,0,0,0,0,,0
Cc1ccccc1S(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)O[AlH3](O)OC(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,0,,,,,,,,0,0,,1
CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,1,0
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,0,0,0,0,0,0,0,,0,,,0
OC[C@@H](O)C(O)[C@H](O)CO,0,0,0,0,0,0,0,,0,,0,0
C=C(C)C(=O)NCCC[N+](C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccc(Cl)c2cccnc12,0,0,1,,0,0,0,1,0,1,1,0
CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O,0,0,,0,0,0,0,,0,,0,0
COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,0,0,0,0,0,0,0,1,0,0,,0
O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl,0,0,0,,,0,0,1,0,1,1,1
O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl,0,,0,,1,,,,,1,1,
COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,0,0,0,1,0,0,0,1,0,0,0,0
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CNC(=O)Oc1cccc2ccccc12,0,0,1,0,0,0,0,1,0,0,,0
NC(=O)Nc1ccc([As](=O)(O)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
NC(=O)NNc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
NNC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CNC(=O)Oc1cccc2c1OC(C)(C)C2,0,0,0,0,1,0,0,0,0,0,0,0
c1ccc2c(c1)[nH]c1ccccc12,0,0,,0,0,0,0,0,0,0,,0
N#CC(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
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COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N,0,0,0,0,0,0,0,0,0,0,,0
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O=C1CCCc2c1cc1ccc3cccc4ccc2c1c34,0,1,1,,1,,1,,,1,1,1
O=Cc1cc(O)ccc1Br,0,0,0,,1,0,,,0,0,,0
CCn1cc[n+](C)c1C.F[B-](F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
OCCCCCCCCCCCCBr,0,0,,0,0,0,,,0,,1,1
COS(=O)(=O)C(F)(F)F,0,0,0,,0,0,0,0,0,1,,0
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O,1,0,0,,1,,0,,0,,0,0
Cc1ccc2cc(C)ccc2c1,,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,0,0,0,0,0,0,0,0,0,0,0,0
CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,0,0,,,0,0,0,,0,0,0,0
Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,0,0,,0,0,0,0,0,0,0,0,0
Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CN/C(=N\c1ccc(C2=NNC(=O)CC2C)cc1)NC#N,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O,0,0,0,,0,0,0,,0,,0,1
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,0,,1,,,1,,,,1,,
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CC(COCCO)OCCO,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1,0,0,0,0,0,0,0,,0,0,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,0,,0,,,1,,,,,,
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=O)C(C)(C)CCC1,0,0,0,1,0,1,,,0,,1,
Oc1cc2ccccc2c2ccccc12,0,,1,,,1,,,,,1,
O=Nc1ccc(O)cc1,0,0,1,0,0,0,0,0,0,0,1,0
O=[N+]([O-])c1cc(I)c(O)c(I)c1,0,,0,0,,0,,,,,,
N#CCC(=O)NN,,,,,,,,0,,0,,
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CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1,0,0,,,,0,0,,,,0,0
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OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,0,0,0,0,0,0,0,,0,,0,0
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O,0,0,,0,0,0,0,0,0,0,0,0
O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1,0,0,0,,,0,0,,0,,,0
CC(C)CCCCCCc1ccc(OCCOCCO)cc1,0,0,0,0,0,0,0,0,0,0,0,0
OCC#CCO,0,0,0,0,0,0,0,0,0,0,0,0
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21,0,0,,0,0,0,0,,0,0,0,0
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COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,0,0,,0,0,0,0,0,0,0,0,0
CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1,0,0,0,,0,0,0,,0,0,0,0
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,0,0,1,0,0,0,0,0,0,0,,0
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC,0,0,,0,0,0,0,,0,,0,0
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O,1,0,0,0,1,0,0,,0,,0,0
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CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,,0
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CC(=O)c1cc2ccccc2s1,,,,,,,,0,,0,,
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CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1,0,0,0,,,0,0,1,0,0,,0
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CCCCO,,,,0,0,0,0,0,0,0,0,0
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Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1,0,0,0,0,0,,0,0,0,0,0,0
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Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O,0,0,0,,1,,,1,0,0,1,1
CC(c1ccc(O)cc1)c1ccc(O)cc1,0,0,0,,1,1,0,1,0,0,1,0
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COc1ccc(C(=O)c2cccc(O)c2)c(OC)c1,0,,1,0,1,1,0,0,0,0,1,0
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CCn1cc[n+](C)c1.N#C[S-],0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCOC(=O)c1ccc(O)cc1,0,0,0,,1,1,,,0,,1,
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Oc1ccc(C2(c3ccc(O)cc3)CC3CC2C2CCCC32)cc1,0,,,1,,,,1,0,1,1,
C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C,0,,,,,1,,,1,,,
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COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,0,0,0,0,0,0,0,0,0,0,0,
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,0,0,0,0,0,0,,0,0,0,0,0
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C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1,1,0,0,1,1,0,1,0,0,0,0
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C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1,1,0,1,1,1,0,0,0,0,1,1
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Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,0,0,,0,0,0,0,0,0,0,0,0
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CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1,0,0,0,0,0,0,0,0,0,0,0,0
CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1,0,0,0,0,1,1,,1,0,1,1,1
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Cc1ccccc1NC(=N)Nc1ccccc1C,0,0,,0,0,0,0,0,0,0,,0
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1,0,0,0,,,,0,0,0,,1,
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Nc1nc2cc(Cl)ccc2o1,0,0,,0,0,0,0,0,0,0,0,0
CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C,0,0,0,0,0,0,0,,0,,,0
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Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,0,0,1,,,0,0,1,0,0,0,0
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CC1(C)C(=O)N(Cl)C(=O)N1Cl,0,0,0,0,1,0,0,0,0,0,0,0
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CC[C@H](C)COC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1,0,0,,,1,0,0,,1,0,,0
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Cc1ccc2oc(=O)ccc2c1,0,0,0,0,0,0,0,,0,0,0,0
CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1,0,,,,,,1,1,,1,1,
CCOC(=S)SSC(=S)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC,0,,0,,0,,,,,,,
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0,0,0,1,1,1,,,0,,,
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CC[C@H]1CC[C@H](NCc2cc3c(cc2OC)[C@H]2C[C@H]2C(=O)N3C)[C@H](c2ccccc2)N1,0,,0,,,0,,0,,0,0,1
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CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1,1,1,1,0,0,0,0,0,0,0,0,0
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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)COC(=O)c1cccc(S(=O)(=O)[O-])c1,1,1,,,1,0,0,,,,0,0
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CC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC=O,0,,,1,,,,,0,,1,
COC(=O)/C=C\C(=O)OC,0,0,0,0,0,0,,1,0,0,0,0
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Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,0,0,,,0,0,1,,0,,,
CC#N,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,0,0,0,,0,0,0,,0,,,0
c1ccc(CCCc2ccncc2)cc1,0,0,0,1,0,0,0,,0,1,1,0
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CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)[O-])C(=O)N2[C@H]1C(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)CC3)c1,0,,1,,,0,0,,0,,,
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C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1,1,,,1,1,0,,0,,,0
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Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,0,0,0,0,0,0,,1,0,0,0,
CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C,0,0,0,0,0,0,,,0,,,0
Cc1cccc(N)n1,0,0,0,0,0,0,0,0,0,0,0,0
C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C,0,0,0,0,0,0,0,0,0,0,0,0
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,1,1,,,,0,0,,,,0,0
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])c2ccccc2)C(=O)C1=O,,,,,,,,0,,0,,
CN(N=O)c1ccc([N+](=O)[O-])cc1,0,0,1,0,0,0,0,,0,0,0,0
COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)Oc3ccccc3NC2=O)cc1,0,0,0,0,,,0,0,0,0,,1
COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,0,0,0,0,0,0,,0,0,0,0,0
CN1CCC(N(Cc2cccs2)c2ccccc2)CC1,0,0,0,0,0,0,0,0,0,,,0
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CC(COc1ccccc1)NN,0,0,0,0,0,0,0,0,0,0,0,0
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1,0,,1,,1,1,,,0,,,0
CCOP(=O)(CC)Oc1ccc([N+](=O)[O-])cc1,0,0,0,1,0,0,0,,0,0,0,
CC(C)(O)c1ccc(C(C)(C)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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C1C[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1,0,,0,,,,,,0,,1,
C=C[Si](OC)(OC)OC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,0,0,1,0,1,1,0,,0,0,,0
CN(C)CCN(C)CCN(C)C,,0,0,0,0,0,0,0,0,0,,0
Oc1ccc(Cl)c(Cl)c1,0,0,,0,,1,0,1,0,0,1,0
Oc1c(Cl)cccc1Cl,,0,0,,0,0,0,0,0,0,0,0
Cc1ccccc1C=O,0,0,0,0,0,0,0,,0,0,0,0
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Clc1cccc(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0,0,0,0,1,0
CCCCSCCCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,1,0
CCc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2,0,0,0,,0,0,,,0,,,
c1cc2c(c(NC3=NCCN3)c1)CCCC2,0,0,,0,0,0,0,,0,,0,0
NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O,0,0,0,0,0,0,0,,0,,0,0
CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O,0,0,0,0,0,0,0,0,0,0,0,0
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Clc1ccccc1-c1nc(-c2ccncc2)no1,0,0,1,,1,0,0,1,1,0,0,0
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CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32,0,0,0,1,0,,0,,0,0,0,1
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CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C,0,,0,,,0,,0,0,,,
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CC(C)Cc1ccc(C(C)C(=O)O)cc1,0,0,0,0,1,0,0,0,0,0,1,0
Oc1cccc2cccnc12,0,0,0,,0,,,1,0,1,0,1
c1ccc2[nH]ccc2c1,0,0,1,0,0,0,0,0,0,0,0,0
CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,0,0,1,,0,0,0,,0,0,1,0
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,0,0,,,,0,,,0,0,,0
CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,0,0,0,0,0,0,,0,0,0,0,0
OCCO,0,0,0,0,0,0,0,0,0,0,0,0
CCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(CCl)c1ccccc1,0,0,0,0,0,0,0,0,0,,0,0
CCN(N=O)C(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)C1OC1(C)c1ccccc1,0,0,0,,0,0,0,,0,0,0,0
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CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,0,,0,,,0,,,0,,,0
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,0,0,0,,0,0,0,,0,,,0
CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,0,0,,0,0,0,0,,0,,,0
O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,0,0,0,0,0,0,,,0,0,0,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1,1,0,0,1,1,0,,0,0,0,0
O=[N+]([O-])c1ccccc1[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)CBr,0,0,,0,0,0,0,,0,0,0,0
NCC(O)c1cccc(O)c1,0,0,0,0,0,0,0,,0,,0,0
Oc1cc(Cl)c(Cl)c(Cl)c1,0,,0,,,,,,0,1,1,
CC(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0,1,1,0,,0,,0,0
C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,0,0,0,0,0,0,0,0,0,0,0,0
CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,0,0,0,0,,0,,,0,,,1
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N,0,0,1,,0,0,,0,0,0,,0
CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC,0,0,1,,,0,0,,,,0,0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,,,,1,,0,,0,,0,0
Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O,0,0,0,0,1,0,1,0,0,0,0,0
CN1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1,0,0,0,0,0,0,0,,0,,,0
N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1,0,0,0,0,0,0,0,1,0,0,,0
CCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(=O)OCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccccc1NC(=N)NC(=N)N,0,,0,0,0,0,0,0,0,0,,0
C1=Cc2ccccc2C1,0,0,1,0,,0,0,0,0,0,,0
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O=[Se](O)O,0,0,,,,0,,1,,0,1,1
NC(N)=[Se],0,0,0,,0,0,0,0,0,0,0,0
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,0,0,0,0,0,0,1,,0,,1,1
CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O,0,0,0,0,0,0,0,0,0,0,0,0
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCCCCCCCCCCCCC(=O)O,0,0,0,,0,0,1,,0,,0,0
CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,0,0,0,1,0,0,0,,0,0,0,0
CCOS(=O)(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
COS(=O)(=O)[O-].Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C,0,0,0,,,0,0,1,0,0,0,0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1,0,0,1,,1,0,0,0,0,0,0,0
Cc1ccc(NC=O)c(C)c1,0,0,0,0,0,0,0,0,0,0,,0
Cc1ccc(C=O)s1,0,0,0,,0,0,0,,0,,0,0
CC1(C)C2CCC3(C2)[C@H]1C(=O)CCC3(C)C,0,0,0,,0,0,0,0,0,0,0,0
CC(=O)c1ccc2c(c1)CCCC2,0,0,0,,,,0,0,0,0,0,0
C=CC(=O)CCCCC,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)CCc1ccc2c(c1)OCO2,0,0,0,0,0,0,0,0,0,0,0,0
C=CC(C)(CCC=C(C)C)OC(=O)CC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CNC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc(CCC(C)=O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc2c(c1)OCC(=O)CO2,0,0,0,,,0,0,0,0,0,0,0
CCCC1CCCC(=O)O1,0,0,0,,0,0,1,0,0,0,0,0
CCOc1ccccc1OCC1CNCCO1,,,,,,,,0,,0,,
COc1ccc2cc(C=O)ccc2c1,,,,,,,,0,,0,,
CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC,,,,,,,,0,,0,,
O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,,,,,,,,0,,0,,
CC(=O)N(CC(=O)N(C)C)c1ccccc1,,,,,,,,0,,0,,
O=C(O)C1CCC1,,,,,,,,0,,0,,
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,,,,,,,,0,,0,,
CC(Cc1ccccc1)N(C)Cc1ccco1,,,,,,,,0,,0,,
CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(OC)CC[C@@H]12,,,,,,,,0,,0,,
O=C(CCCCl)c1ccc(F)cc1,,,,,,,,0,,0,,
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,1,1,0,,1,0,0,0,0,0,0,0
Cn1sccc1=O,0,0,0,,,0,0,,0,,,0
CNC(=O)Oc1ccccc1C1OCCO1,0,0,,0,0,0,0,0,0,0,,0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1,1,0,0,1,1,0,,0,0,0,0
CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O,0,,0,,0,0,1,,0,0,0,
C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1,0,0,,,,0,,,,,1,
C=C(C)CS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,0,0,,0,0,0,0,0,0,0,0,0
C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCOC(=O)CCS,0,0,0,,,0,0,0,0,0,,0
CCCCCCCCOCCCN,0,0,0,0,,0,0,,0,0,,0
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,0,0,0,0,0,0,0,0,0,0,,0
O=Cc1ccc(Cl)c([N+](=O)[O-])c1,0,0,0,,,0,0,1,0,,0,0
Nc1nc(=S)[nH][nH]1,0,0,0,0,0,0,0,0,0,0,0,0
C=CC(=O)NCOCC(C)C,0,0,0,0,0,0,0,,0,0,0,0
CC1=Nc2ccc3ccccc3c2C1(C)C,0,0,,,,0,0,0,0,1,1,0
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0,0,0,,,0,,,0
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,,,,,,,,1,,0,,
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(C)CC1C(=O)O,,,,,,,,0,,0,,
Cc1coc2ccccc2c1=O,,,,,,,,0,,0,,
O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O,,,,,,,,0,,0,,
CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2,,,,,,,,0,,0,,
Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2,,,,,,,,,,0,,
O=C(O)c1ccc(OCCN2CCCCC2)cc1,,,,,,,,0,,0,,
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F,,,,,,,,0,,0,,
O=C1CC(c2ccc(Cl)cc2)CC(=O)N1,,,,,,,,0,,0,,
COc1ccc2c(c1)c(CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1,,,,,,,,,,0,,
O=[N+]([O-])c1cccc(C(F)(F)F)c1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCC,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccccc1[N+](=O)[O-],0,0,0,1,0,0,0,0,0,0,0,0
O=[N+]([O-])c1ccccc1C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)N(C)N=O,0,0,0,0,0,0,0,0,0,0,0,0
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,1,1,0,0,1,1,0,1,0,,1,0
CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2,0,0,0,0,1,0,0,0,0,0,0,0
O=C1NCCN1CCO,0,0,0,0,0,0,0,0,0,0,0,0
CNCCS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0,0,,0,0,0,,0,0,,0
COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl,0,0,1,,0,0,0,,0,0,0,0
CCO[Si](CCCCl)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,1,0
Oc1c(Br)c(Br)c(Br)c(Br)c1Br,0,0,1,,,0,,,0,,1,
O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,0,0,0,0,0,0,0,0,0,0,,0
CCCCCCCCCCCC(C)=O,0,0,0,0,1,,0,0,0,0,0,0
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,0,0,0,0,0,0,0,0,0,1,0,0
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,0,0,0,0,0,0,0,1,0,0,0,0
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,0,0,0,0,0,0,0,,0,0,,0
c1ccc(C2CC2)c(OCC2=NCCN2)c1,0,0,0,0,0,0,0,0,0,0,0,0
Clc1cccc(N2CCNCC2)c1,0,0,0,0,0,0,0,0,0,0,0,0
NC(Cc1ccc(Cl)cc1)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,0,0,1,,1,0,0,1,1,0,1,0
Cc1cc(N=Nc2ccccc2C)ccc1N,0,0,1,,1,,,1,1,0,,
Nc1cc([N+](=O)[O-])ccc1O,0,0,1,,0,0,0,1,0,0,1,0
Nc1ccc([N+](=O)[O-])cc1O,0,0,1,0,0,0,,1,0,0,1,0
Nc1ncc([N+](=O)[O-])s1,0,0,1,0,1,0,0,0,0,0,1,0
Nc1ccc(O)c([N+](=O)[O-])c1,0,0,,0,0,0,0,1,0,0,1,0
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,0,0,,,1,0,0,,0,0,1,0
O=C(NN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,0,0,0,0,0,0,0,0,0,0,,0
CCOC(=O)CCC(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
O=[N+]([O-])c1nccn1CO[C@@H](CO)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,0,0
CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O,1,1,0,0,1,0,0,,0,0,0,0
CCCCCC1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1,0,0,0,0,0,0,0,0,0,0,0,0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCC3)c1,0,0,0,0,0,0,0,1,0,0,0,0
CC(=O)OCC(=O)Nc1cc(C#N)cc(NC(=O)COC(C)=O)c1Cl,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1,,,,,,,,0,,0,,
COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,,,,,,,,0,,0,,
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,0,0,1,,,,,1,0,,1,0
Cc1ccc(O)c(O)c1,0,,1,,0,1,0,1,0,,,0
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,0,0,,0,0,0,0,0,0,0,0,0
FC(F)(F)C(Cl)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
N#CCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCSCC,0,0,0,0,0,0,0,0,0,,0,0
CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1,0,0,1,0,0,0,0,0,0,0,0,0
ClCCl,0,0,0,0,0,0,0,0,0,0,0,0
FC(F)(F)c1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
O=C=Nc1cccc(C(F)(F)F)c1,0,0,1,1,0,0,0,,0,0,1,0
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,0,0,1,0,0,0,0,0,0,0,0,0
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,1,1,0,,0,0,0,0,0,0,0,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1,1,0,,1,0,0,,0,,0,0
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,1,1,0,,,0,0,,0,,0,0
C=CCOC(=O)C(=C)C,0,0,0,0,0,0,0,0,0,0,0,0
OCC(Br)CBr,,,0,0,0,0,0,0,0,0,0,0
Nc1ccc(Cl)c(Cl)c1,0,0,1,0,0,0,0,0,0,0,0,0
NCCCC(=O)O,0,0,0,0,0,0,0,,0,,0,0
Nc1ccccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCC(C)C=O,0,0,0,0,0,0,0,0,0,0,0,0
O=C1Cc2cc(Cl)ccc2N1,,,,,,,,1,,0,,
FC(F)(F)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
C[Si](C)(C)Cl,0,0,0,0,0,0,0,1,0,0,0,0
CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl,0,0,0,0,,0,0,,0,0,1,0
C=Cc1ccc(C=C)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc([As](=O)(O)O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
O=[N+]([O-])C(Cl)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,0,0,0,0,0,0,0,0,0,0,1,0
Cc1ccc(C)c2ccccc12,0,0,0,0,,0,0,0,0,0,0,0
O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1,0,0,,0,0,0,0,0,0,0,1,0
Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C,0,,0,1,,0,,1,0,,1,
CCC(=O)[O-].CCC(=O)[O-],0,0,0,,,,0,0,0,0,0,0
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1,0,0,0,0,0,0,0,0,0,0,0,0
O=C([O-])CCl,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1,0,0,0,1,1,1,0,0,0,0,,0
OCCCO,0,0,0,0,0,0,0,0,0,0,0,0
O=C(CC(=O)c1ccccc1)c1ccccc1,0,0,1,,1,0,0,1,1,0,1,0
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O,0,0,0,,,0,,1,0,0,1,
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,0,0,0,0,1,1,0,0,0,0,0,0
CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ncc(CO)c(C=O)c1O,0,0,0,0,0,0,0,,0,0,0,0
NS(=O)(=O)Cc1noc2ccccc12,0,0,0,0,0,0,0,0,0,0,0,0
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,0,0,0,0,0,0,0,,0,,0,0
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CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,0,0,1,0,0,0,0,,0,,0,0
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CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1,0,0,1,0,0,,,1,0,0,1,0
CCCCCCCCCCCCCCN(CCO)CCO,0,,0,,0,0,,0,,,,
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0,1,0,0,1,1,0,,0,,0,0
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,0,0,,0,,0,0,,0,,,0
CCCOC(=O)c1cc(O)c(O)c(O)c1,0,0,1,0,1,1,0,1,0,0,1,0
Oc1ccccc1C=NCc1ccccc1,,,,,,,,0,,0,,
CC(O)CO,0,0,0,0,0,0,0,0,0,0,0,0
Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1,0,0,,,1,0,0,0,0,0,1,0
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CCCc1cc(=O)[nH]c(=S)[nH]1,0,0,0,0,1,0,0,0,0,0,0,0
CCc1cnc(C(=O)O)c(C(=O)O)c1,0,0,0,0,0,0,0,0,0,0,0,0
C/C(Cl)=C/CCl,,0,0,,,0,0,,0,0,0,0
CCO[Si](CCC#N)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CCO[Si](CCCN)(OCC)OCC,0,0,0,0,0,0,0,0,0,0,0,0
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CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0,0,0,0,,0,0,0,0,0,0,0
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CI.CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2,0,0,,0,0,0,0,,0,,0,0
c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1,,,,,,,,0,,0,,
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Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,0,1,1,1,,1,1,1,0,1,1,
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C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
BrCCCCBr,0,0,0,0,0,0,0,1,0,0,0,0
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
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CC(=O)CCc1ccc(O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCC(C)CCO,0,0,0,0,,0,0,0,0,0,0,0
NNC(=O)CCCCC(=O)NN,0,0,1,0,0,0,0,0,0,0,,0
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CCCCCCCCCC(=O)OCC,0,0,0,0,,0,0,0,0,0,0,0
CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
CCn1cc[n+](C)c1.N#CN=C=[N-],0,0,0,0,0,0,0,0,0,0,0,0
CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
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CCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,0,0,0,0,0,0,0,0,0,0,,0
COP(=O)([O-])OC.Cn1cc[n+](C)c1,0,0,0,0,0,0,0,0,0,0,0,0
O=S(=O)([O-])OOS(=O)(=O)[O-],0,0,0,0,1,0,0,0,0,0,0,0
O=[N+]([O-])[O-].[K+],0,0,0,0,0,0,0,0,0,0,0,0
CCCNCCC,0,0,0,0,,,0,0,0,0,0,0
CCC(O)OC(O)CC,0,0,0,0,0,0,0,0,0,0,0,0
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,1,0,0,0,1
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OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,,,,,,,,,,1,
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CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O,,,,,,,,,,0,,
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C1CN2CCC1CC2,,,,,,,,0,,0,,
CCN(CC)CCN,,,,,,,,0,,0,,
CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O,,,,,,,,0,,0,,
CS(=O)(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
C[Si](C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O,0,0,0,,,,,1,0,,1,
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,0,0,0,0,1,0,0,0,0,0,0,0
CCOC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0,0,0,0,,0
BrCC1CO1,0,0,0,0,0,0,0,0,0,0,,0
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CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C,0,0,,0,,,0,1,0,0,0,0
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Cc1cc(Cl)ccc1O,0,0,0,0,0,0,0,0,0,0,1,0
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,0,,1,,1,1,0,1,0,0,1,1
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,0,0,,0,0,0,0,0,0,0,0,0
Cl[Zn]Cl,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C(=O)NNCc2ccccc2)no1,0,0,,,1,0,0,,0,,0,0
CC(C)COC(=O)c1ccc(N)cc1,0,0,,0,1,,0,0,,0,0,0
O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,0,0,0,0,0,0,0,,0,,0,0
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,0,0,0,0,0,0,0,0,0,0,0,0
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Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,0,0,0,,,0,,,0,0,1,1
Cc1cc(S(=O)(=O)O)c(N)cc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(N)c(S(=O)(=O)O)c1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)c1ccccc1O,0,0,0,0,0,0,0,0,0,0,1,0
Cc1ccc(C(C)(C)C)c(O)c1,0,0,0,,0,0,0,0,0,0,1,0
Cc1cc(N)c(S(=O)(=O)O)cc1Cl,0,0,,0,0,,0,0,0,0,0,0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5S[C@@H]5C[C@@]43C)[C@@H]1CC[C@@H]2O,1,1,0,,1,1,0,,0,,,0
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0,0,0,0,0,0,0,0,0
C[C@@H]1C[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@]2(C)[C@@]1(O)C(=O)CO,1,1,0,,0,0,0,0,,0,0,0
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CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,,0
CCCCOc1ccc(CC(=O)NO)cc1,0,0,0,0,,0,0,0,0,0,0,0
ClC/C=C/CCl,,,0,,0,0,0,1,0,0,0,0
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,0,,1,,,0,0,1,0,0,,0
CC(Cl)Cl,0,0,0,0,,0,0,,0,0,0,0
Clc1ccccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
Clc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl,1,0,1,1,1,1,0,1,1,,,1
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Oc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,0,0,0,1,0
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c1ccc2c(c1)oc1ccccc12,0,0,0,0,0,0,0,0,0,0,0,0
NCCN1CCNCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCC(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)C(=O)c1cccc(C)c1,0,0,0,0,1,1,0,0,0,0,0,0
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CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,0,0,0,0,0,0,0,0,0,0,0,0
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CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C,0,0,0,0,0,0,0,0,0,0,0,0
Brc1ccc(Br)c(Br)c1,0,0,0,0,0,0,0,0,0,0,,0
CCCCN(CCCC)CCCCCCN(CCCC)CCCC,0,0,0,0,0,0,0,0,0,0,0,0
CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1,0,0,0,0,1,0,0,0,0,0,0,0
CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1,0,0,0,0,0,0,,1,0,,,
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,0,0,0,0,,0,0,0,0,0,0,0
CC(C)(C)CC(C)(C)c1ccccc1O,0,,0,,1,1,,0,0,,1,
CCCCCCCCCCCCc1ccccc1O,0,0,0,,1,1,1,,,,1,
CCCCCCCC[Si](OCC)(OCC)OCC,,0,0,,,,0,0,0,0,0,0
CCCCC(CC)CO[N+](=O)[O-],0,0,,0,0,0,0,0,0,0,0,0
NC(=S)NC(N)=S,0,0,0,0,0,0,0,0,0,1,0,0
N#C/N=C1\SCCN1Cc1ccc(Cl)nc1,0,0,0,,0,0,0,0,0,0,0,0
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,,0
CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CC1=CC(=O)[N-]S(=O)(=O)O1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(C)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,0,0,0,1,,0,0,,0,0,,0
COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,0,0,1,0,0,0,0,0,0,0,0,0
CC(Cl)(Cl)C(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
C=CC(O)CCCCC,0,0,0,0,0,0,0,0,0,0,,0
C[Sn](Cl)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
C=CCS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCCC(C)c1ccccc1O,0,0,0,,,0,0,0,0,0,1,0
CC(C)CCOCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0,,0,,,0,,1,,0,1,1
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,1,0,,0,0,0,0,0,0,,0
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,1,0,0,,0,,0,0,0,0,0,0
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C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,0,0,0,,1,0,0,0,0,0,0,0
CCC(C)(C)C1CCC(=O)CC1,0,0,0,0,,0,0,0,0,0,0,0
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Cc1ccccc1C#N,0,0,0,0,0,0,0,0,0,0,,0
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Cc1c(N)cccc1C(F)(F)F,,,,,,,,0,,0,,
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CC(=O)c1c(C)cc(C(C)(C)C)cc1C,0,0,0,0,0,0,0,0,0,0,0,0
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CCOC(=O)N1CCC(Nc2ccc(Cl)cc2N)CC1,,,,,,,,1,,,,
CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1,,,,,,,,0,,0,,
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CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,,,,,,,,0,,0,,
ClCCCN1CCN(c2cccc(Cl)c2)CC1,,,,,,,,1,,0,,
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CCN(CC#N)c1cccc(C)c1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1cccc2cccnc12.Oc1cccc2cccnc12,0,0,,,0,1,,1,0,1,,1
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CCCCCC[N+](=O)[O-],,,0,0,,0,0,0,0,0,0,0
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CN(CCCl)CCCl,0,0,,,,0,,1,1,0,,1
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Cc1ccc(N)nc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C,0,0,0,,0,0,0,0,0,0,0,0
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CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,0,0,1,0,0,1,0,0,0,0
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,0,0,0,0,0,0,0,,0,0,0,0
COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2,0,0,0,0,0,0,,,0,,,0
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0,0,0,0,0,0,0,0,0
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C=C1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O,1,1,0,,,0,0,,0,,0,0
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CCC(CC)CO,0,,0,0,0,0,0,0,0,0,0,0
Cc1cc(Br)ccc1NC(=O)CCl,0,,1,,,0,,1,,1,,1
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NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O,0,0,0,0,0,0,0,,0,,0,0
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O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,0,0,0,0,0,0,0,1,0,0,,0
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1,0,0,,0,0,0,0,0,0,0,,0
O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1,0,0,0,0,0,0,0,,0,,0,0
CCCOC(=O)c1ccc(N)cc1,0,0,,0,,0,0,0,0,0,0,0
CCCOC(=O)c1cncn1C(C)c1ccccc1,,,,,,,,0,,0,,
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C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1,1,0,1,1,1,,1,0,0,,0
c1csc(SSc2cccs2)c1,0,0,0,,1,0,,0,0,1,0,0
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,,,,,,,,0,,0,,
COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC,,,,,,,,0,,0,,
CC(=O)N1CCN(c2ccc(O)cc2)CC1,,,,,,,,1,,0,,
CCc1ccc(C2CCNCC2)cc1,,,,,,,,0,,0,,
COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1,,,,,,,,0,,0,,
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1,,,,,,,,0,,0,,
CN1CCN(N)CC1,,,,,,,,0,,0,,
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I,,,,,,,,0,,0,,
CC(=O)OC(C)C,0,0,0,,,0,0,0,0,0,0,0
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CC(C)CC(C)CC(O)CC(C)C,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCCC(C=O)=Cc1ccccc1,0,0,0,0,1,0,0,0,0,0,0,0
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COc1ccc(C)cc1[N+](=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
CCC(N)(CO)CO,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],0,0,1,1,0,0,0,0,0,0,0,0
O=C1c2ccccc2C(=O)C1(O)O,0,0,1,,0,0,,,0,0,1,1
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CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3,0,,0,0,,,0,,,,1,
Oc1ccc([Hg]Cl)cc1,0,,0,,,1,1,,1,,,1
COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,0,,,,,0,,,0,,0,1
CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,0,0,0,0,0,0,0,,0,,0,0
COC(=O)CC(=O)C(C)(C)C,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)c1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0,0,0,0,0,0
COC(=O)C(Br)CBr,0,0,0,,0,0,,,,0,0,0
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,0,0,0,0,0,0,0,0,0,0,0,0
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CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],1,1,0,,0,0,0,,0,,0,0
Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,0,0,0,0,0,0,0,,0,,0,0
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](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,0,0,0,0,0,0,0,,0,,0,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-],1,,0,0,1,1,0,,0,,0,1
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,0,,0,0,0,,0,0,0,0,1,
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,0,0,0,0,0,0,0,,0,,0,0
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)C2,0,0,1,0,0,0,0,,0,,0,0
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,0,0,,,1,1,0,,0,0,0,0
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CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1,0,0,0,0,0,0,0,,0,,0,0
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,0,,,,0,,0,1,,0,,1
ClC=C(Cl)Cl,0,0,0,0,0,0,0,0,0,0,,0
ClCC(Cl)Cl,0,0,0,0,,0,0,,0,0,0,0
CC(Cl)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
Oc1c(Cl)cc(Cl)cc1Cl,0,0,,0,0,0,0,1,0,0,1,0
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,0,0,0,0,0,0,1,0,0,0,,0
FC(Cl)(Cl)Cl,1,1,0,0,0,0,0,0,0,0,,0
O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl,0,0,0,,,0,0,1,0,,1,1
O=C(O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0,1,0,0,,0
COP(=O)(OC)C(O)C(Cl)(Cl)Cl,0,,0,0,0,0,0,1,0,0,0,0
CC(=O)OCC(=O)[C@@]1(OC(C)=O)[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,1,1,,,,0,0,0,0,0,1,0
CN(C)C1CCCCC1,0,0,0,0,,0,0,0,0,0,,0
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C[C@@H](N)C(=O)O,,,,,,,,0,,,,
CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,0,0,1,0,1,1,0,1,0,0,,
CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1,0,0,0,0,0,0,0,,0,0,0,0
CCOc1ccc(NC(=O)OC(C)C)cc1OCC,0,0,,0,0,0,0,0,0,0,0,0
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2,0,0,1,,,0,,1,0,,0,
CC(=O)c1ccccn1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,0,0,1,0,0,0,0,0,0,0,,0
C1CCNCC1,0,0,0,0,,,0,0,0,0,0,0
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,0,0,0,0,0,0,0,0,0,0,0,0
C[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3C=CC(=O)O1)C[C@H](O)[C@H]2C(=O)O,0,0,0,0,0,0,0,,0,,0,0
Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,0,0,1,0,0,0,0,0,0,0,0,0
C=C(C)C(=O)OCCO,0,0,0,0,0,0,0,0,0,0,0,0
C=CC(=O)OCCO,0,0,0,0,1,0,0,1,0,0,0,0
O=P(c1ccccc1)(c1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,0,0,1,0,1,0,0,0,0,,0,0
Oc1ccc(Oc2ccccc2)cc1,0,0,0,,1,1,,1,0,0,1,
C#CC(O)CCCCC,0,0,0,0,0,0,0,0,0,0,,0
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,0,0,0,,,0,,,,,1,
C[Si](C)=O,0,0,0,0,0,0,0,0,0,0,,0
CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCOCC1,0,0,,1,0,0,0,0,0,0,,0
O=S(=O)([O-])c1cccc(S(=O)(=O)[O-])c1,0,0,0,0,0,0,0,,0,,0,0
CN(C)CCOCCN(C)CCO,0,0,0,0,0,0,0,0,0,0,0,0
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O=C1NC(=O)c2cccc3cccc1c23,0,0,1,0,0,0,0,1,0,0,1,
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1,0,,0,0,0,0,1,0,0,0,,0
C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1,0,0,0,0,0,0,0,0,0,1,0,0
CCCCOC(=O)CCC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1,0,0,1,,1,0,0,0,1,0,0,0
Cc1ccc(N)c([N+](=O)[O-])c1,0,0,0,0,1,0,0,0,0,0,0,0
ClCC=CCCl,0,0,0,,0,0,0,,0,0,0,0
Cc1ccc([N+](=O)[O-])c(N)c1,0,0,0,0,0,0,0,0,0,,0,0
CNc1ccc([N+](=O)[O-])cc1,,,,,1,0,0,0,0,,0,0
Nc1ccc(/N=N/c2ccc(N)cc2)cc1,,0,,,0,0,,1,1,0,1,0
CC1=CCC2CC1C2(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)NNC(C)=O,0,0,0,0,0,0,0,0,0,0,,0
C=CCOC(=O)c1ccccc1C(=O)OCC=C,0,0,0,1,0,0,0,0,0,0,0,0
Oc1cccc(O)c1O,0,0,1,0,1,1,0,0,0,0,1,1
S=C1NCCN1,0,0,0,0,0,0,0,1,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2,0,0,1,,1,0,0,1,0,0,1,0
COC(=O)c1cc(Cl)ccc1OC,,,,,,,,0,,0,,
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0,0,0,0,,0
O=c1c(-c2ccccc2)c1-c1ccccc1,0,,0,,0,0,1,,,,1,1
O=C(OCc1ccccc1)c1cccnc1,0,0,0,0,0,0,0,,0,,,0
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,0,,0,,0,0,,1,0,0,1,0
O=C(O)c1ccc[n+]([O-])c1,,,,,,,,0,,0,,
OC1OC[C@@H](O)[C@H](O)[C@@H]1O,0,0,0,0,0,0,0,,0,,0,0
NC(=O)CCCCC1CCSS1,0,0,0,0,1,1,0,0,0,0,0,0
CCOC(=O)CC#N,0,0,0,0,0,0,0,0,0,0,0,0
CCCC(C)CO,,0,,0,0,0,0,0,0,0,0,0
CCOC(=O)CCl,0,0,0,0,0,0,0,,0,0,0,0
COC(=O)CC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc(C)cc1,0,0,0,0,0,0,0,0,0,0,,0
CCc1ccc(CC)cc1,0,0,0,0,0,0,0,0,0,0,0,0
OCC1CCC(CO)CC1,0,0,0,0,0,0,0,0,0,0,0,0
C=C(C)C(=O)OCCN(CC)CC,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0,0,0,0,1,1,0,,0,,,0
O=P([O-])([O-])OC[C@@]1(O)O[C@H](COP(=O)([O-])O)[C@@H](O)[C@@H]1O,0,0,0,0,1,,0,,0,,0,0
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1,0,0,0,0,1,0,0,0,0,0,,0
NC1CCCCC1.NC1CCCCC1.O=P(O)(O)OC[C@H](O)CO,0,0,0,0,0,0,0,,0,,0,0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,0,0,0,0,,0,,,0,,0,1
CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,0,0,0,0,,0,0,0,0,0,0,0
O=S(=O)([O-])CC(S)CS,0,0,0,0,0,0,0,,0,,0,0
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,0,,0,,,0,0,,,0,1,
CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-],0,0,0,1,1,0,0,0,0,0,1,0
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,0,0,1,0,1,0,0,0,0,0,1,0
Clc1cc(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-],0,0,0,0,,0,0,1,0,0,,0
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1,0,0,0,0,,0,0,0,0,0,0,0
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COc1c2c(cc3c1OCO3)CCN(C)C2,0,0,0,0,0,0,0,0,0,0,,0
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N,0,0,1,0,0,0,0,,0,0,0,0
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CC(NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,1,1,0,0,,0,,,0,0,,0
NC(=O)OCCCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,0,0,0,0,0,0,0,0,0,0,,0
CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1,,,,,,,,0,,0,,
COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1,1,0,0,0,0,0,0,0,0,0,0,0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1,1,0,,0,0,0,0,0,0,,0
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1,0,0,,0,0,0,0,,0,0,1,0
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)C(O)CN)OC[C@]1(C)O,1,0,0,,0,0,0,,0,,0,0
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1,0,,0,0,,0,,,0,,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,0,0,0,0,0,0,0,,0,,0,0
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c1ccc(-c2cccc(-c3ccccc3)c2)cc1,0,0,1,,1,0,0,1,0,0,1,0
Cc1cc(Cl)ccc1OCCCC(=O)O,0,0,0,,0,0,0,0,0,0,0,0
Cc1cc(Cl)ccc1OC(C)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(Cl)ccc1OCC(=O)O,0,0,0,0,0,0,,0,0,0,0,0
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CCC1(c2ccccc2)C(=O)N=C([O-])NC1=O,0,0,0,0,0,0,0,0,0,0,0,0
S=C=NCCc1ccccc1,0,,1,,1,0,0,,0,1,,
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c1ccc2c(c1)Nc1ccccc1S2,0,0,0,0,1,0,0,0,0,0,1,0
Oc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
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COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)N=Nc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
S=C=Nc1ccccc1,0,0,,0,0,0,0,1,0,,1,0
CC(=O)OC(C)OC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,,,0,,1,0,0,,
C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,,1,0,,1,0,1,0,1
CC(C)Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)Cl,0,0,0,0,0,0,0,0,0,0,0,0
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,0,0,0,0,0,0,0,0,0,0,0,0
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc2cc3ccccc3cc2c1,0,0,,,,0,0,0,0,0,1,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,0,0,1,0,0,0,0,0,0,0,0,0
CNCC[C@@H](Oc1ccccc1C)c1ccccc1,0,0,0,0,0,0,,,0,0,0,0
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Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,0,0,1,,0,0,0,0,0,0,1,0
NS(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
COCCl,0,0,0,0,0,0,0,0,0,0,0,0
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Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,0,0,0,,,0,0,,1,,,0
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
C[N+](C)(C)CCCl,0,0,0,0,0,,0,,0,0,0,0
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1,0,0,0,0,0,0,0,0,0,0,,0
CCCCCCC(=O)c1ccccc1,0,0,0,,,0,0,0,0,0,0,0
CCC(C)(C)C1CCC(OC)CC1,0,0,0,,0,0,,0,0,0,0,0
Cc1ccc(S)cc1,0,0,0,0,0,0,0,0,0,,0,0
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CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,0,0,1,,,0,0,,0,,,
CCCCc1ccc(Cl)cc1,0,0,,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,0,,0,,,,,,0,,1,1
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12,0,0,1,0,0,0,0,,0,0,1,0
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,,,,,,,,0,,0,,
ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1,0,0,,0,0,0,0,0,0,0,,0
O=C(O)c1ccccc1O,0,0,0,0,0,0,0,0,0,0,0,0
CCOP(=S)(OCC)SCCl,0,0,0,,0,0,0,0,0,0,0,0
CCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCN1CCOCC1,0,0,0,0,0,0,0,0,0,0,0,0
CCN(Cc1ccccc1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,1,1,0,,0,0,0,1,0,0,0,0
CCc1ccccc1O,0,0,0,0,0,0,0,0,0,0,0,0
C=CC(=O)CC,0,0,0,0,0,0,0,0,0,0,,0
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,1,0,0,0,0,0,0,,0,,0,0
Cc1ccccc1OCC(O)CO,0,0,0,0,1,,0,0,0,0,0,0
COc1ccccc1OCC1CNC(=O)O1,0,0,0,0,0,0,0,0,0,0,0,0
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,,0,0,,,0,0,0,0,0,0,0
CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,,,0
CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C,0,0,0,0,0,0,,0,0,0,,0
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1,1,0,,1,1,0,,0,0,0,0
CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1,0,0,0,,,0,,,,,1,
Nc1nc(N)c(N)c(N)n1,,0,,,0,0,0,,0,0,1,0
N=C(N)NCCC[C@H](N)C(=O)O,,,,,,,,0,,0,,
CC[Ge](Cl)(CC)CC,0,0,0,0,1,0,0,0,0,0,0,0
CCN1C=CN(C)C1C,0,0,0,0,0,0,0,0,0,0,0,0
CCCC[N+]1(C)CCCCC1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,1,0,0,0,0,0,0,0
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Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN(C)C)cc12,0,0,1,0,0,0,0,,0,0,,0
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1,0,0,0,0,0,0,0,,0,,0,0
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,0,0,0,,,0,1,,,1,1,1
CCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F,0,0,0,0,0,0,0,0,0,0,0,0
CCN(CC)CCOc1ccccc1OC,0,0,0,0,0,0,0,,0,,0,0
CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O,0,0,0,0,0,0,0,,0,,1,0
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)C[C@@H]1O,0,,0,0,0,0,,1,0,1,1,
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,0,1,0,,0,1,1,1,1,0,0,1
N#CC(C#N)=NNc1cccc(Cl)c1,0,,0,1,,,,,,1,1,
Cc1cccc(O)c1,0,0,0,0,0,0,0,0,0,0,0,0
CSc1nnc(C(C)(C)C)c(=O)n1N,0,0,0,0,0,0,0,0,0,0,0,0
CCSC(=O)N1CCCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
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CC(C)=CCC/C(C)=C/COC=O,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,0,0,0,,0,0,0,,0,0,,0
CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12,0,1,1,,1,1,,,1,0,,1
N#C[C@@H]1CC(F)(F)CN1C(=O)CNC1CC2CCC(C1)N2c1ncccn1,0,0,0,0,0,0,0,0,0,,,0
CC(C)(CO)C(O)C(=O)NCCCO,0,0,0,0,0,0,,0,0,0,0,0
CCOP(=O)(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
CCCC[Sn](Cl)(CCCC)CCCC,0,,0,,,,1,1,0,,1,
COC(=O)c1cccc(C(=O)OC)c1,0,0,0,0,0,0,0,0,0,0,0,0
COC(C)(OC)OC,0,0,0,0,0,0,0,0,0,0,,0
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0,0,0,0,0,0,,0,,0,0
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CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C,0,0,0,0,0,0,0,0,0,0,1,0
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CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,0,0,0,0,0,0,0,,0,0,0,0
Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1,,,,,,,,0,,0,,
CC(C(=O)c1ccccc1)N(C)C,,,,,,,,0,,0,,
CCCC(=O)OCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,0
CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1,,,,,,,,0,,0,,
Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1,,,,,,,,1,,0,,
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1,,,,,,,,0,,0,,
O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1,0,0,0,0,,0,0,1,0,0,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,,,,,,,,0,,0,,
CC(C)C(=O)OCc1cccc(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c1,,,,,,,,0,,0,,
c1ccc([C@H]2CN3CCSC3=N2)cc1,0,0,0,0,1,,0,0,0,0,,0
CCCCCCOC(=O)C(C)C,1,0,0,,0,0,0,0,0,0,0,0
COC(C)(C)CC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)c1,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccccc1/C=C/C=O,0,0,0,,0,0,0,0,0,0,0,0
CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1,0,0,0,0,0,0,0,0,0,0,,0
COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],0,0,1,,1,0,0,,0,0,1,0
CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1/N=N/c1ccccc1,0,0,,0,0,0,0,0,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)O)c1,0,0,0,0,0,0,0,0,0,0,0,0
O=Cc1ccccc1S(=O)(=O)[O-],0,0,0,0,0,0,0,0,0,0,0,0
NCCCC(O)(P(=O)([O-])O)P(=O)(O)O,,,,,,,,0,,0,,
COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,0,0,0,0,0,0,0,,0,,0,0
CN(C)CCOc1ccccc1Cc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,,0
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(=N)N)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1,1,0,,,0,,0,,0,,0,1
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,0,1,,1,,1,,1,1,0,1,1
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c1ccc2c(c1)CCNC2,0,0,,0,0,0,0,0,0,0,0,0
c1ccc2c(c1)CCCC2,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C)c(C)c(C)c1,0,0,0,,0,0,0,0,0,0,,0
COC(C)COC(C)COC(C)CO,0,0,1,0,0,0,0,0,0,0,0,0
COC(=O)CCCC(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,0,0,1,0,0,0,0,0,0,0,1,0
CCCCCC1C(=O)CCC1CC(=O)OC,0,0,0,0,0,0,0,0,0,0,0,0
C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2)cc1Br,0,0,,0,0,0,0,1,0,0,0,0
OCCOCC#CCOCCO,0,0,0,0,0,0,0,,0,0,,0
NCCOCCN,0,0,0,0,0,0,0,0,0,0,,0
CCCCOC(=O)C(=O)OCCCC,0,0,0,0,0,0,0,0,0,0,0,0
OCCN(CCO)CCN(CCO)CCO,0,0,0,0,,0,0,0,0,0,0,0
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1,0,0,1,1,0,0,0,0,0,0,,0
CCCCCCC=O,0,0,0,0,0,0,0,0,0,0,0,0
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,0,0,0,0,0,0,0,0,0,0,,0
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0,0,0,0,0,0,0,0,0,0,0,0
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,0,0,0,,0,0,,0,0,0,0,
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CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,0,0,0,0,,0,,,,0,,0
CC(C)[C@@H]1CC[C@@H](C)CC1=O,0,0,0,0,0,0,0,0,0,0,0,0
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3,0,0,1,0,0,0,0,0,0,0,0,0
CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12,0,0,,,0,0,1,0,0,0,0,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc([O-])c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,,0,0,,1,0,0,,0
Cc1ncsc1CCO,0,0,0,0,0,0,0,0,0,0,0,0
c1ccc(Sc2ccccc2)cc1,0,0,0,0,0,0,0,0,0,1,0,0
CCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
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C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,0,0,0,0,0,0,0,0,0,0,0,0
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21,0,0,0,0,0,0,0,0,0,0,0,0
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COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,,,,,,,,,,1,,
CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,,0,,0,0,,0,,0,0
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,0,0,0,0,0,0,0,0,0,0,0,0
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,0,0,0,0,0,0,0,,0,,0,0
CC1(C)CC(N)CC(C)(C)N1,0,0,0,0,0,0,0,0,0,0,,0
CC(O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O,0,0,0,0,,0,0,,0,,0,0
CCC(C)SSC(C)CC,0,0,0,0,0,0,0,0,0,0,,0
Cc1cccc(OCCOc2cccc(C)c2)c1,0,0,1,0,,0,0,0,0,0,,0
CC(C)c1ccc2sc3ccccc3c(=O)c2c1,0,0,1,,1,0,0,1,1,1,,0
O=C(CCN1CC1)OCC(CO)(COC(=O)CCN1CC1)COC(=O)CCN1CC1,0,0,0,0,0,0,0,0,0,0,0,0
C#CC(O)C(CC)CCCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCC=O,0,0,0,0,1,0,0,0,0,0,0,0
O=CC(Br)(Br)Br,0,,0,,,1,1,1,1,1,,
CCCCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
ClC1=C(Cl)C1(Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)C(Br)(Br)Br,0,0,0,0,0,0,0,1,0,0,0,0
C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,0,0,,,1,1,,,0,1,1,0
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0,,1,,1,1,0,,1,0,,0
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,,0,1,,1,1,0,1,1,0,1,0
CCCCCCCCc1ccc(O)cc1,0,0,0,,1,0,0,,0,,1,0
CCCCCCCO,0,0,0,0,0,0,0,0,0,0,0,0
N#CCCCCC#N,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCO,0,0,0,0,,0,0,0,0,0,0,0
CCCCCCN,0,0,0,0,0,0,0,0,0,1,,0
OCCNCCO,0,0,0,0,0,0,0,0,0,0,0,0
C=C(C)CNCC,0,0,0,0,1,0,0,0,0,0,0,0
CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,0,0,0,1,0,0,0,0,0,0,0,0
N#Cc1nc(Cl)c(Cl)c(Cl)c1Cl,0,,,,,1,,,1,,,1
O=C1c2ccccc2C(=O)N1SC1CCCCC1,0,,0,,0,0,,0,0,1,1,
CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
CCCOCC(C)OCC(C)O,0,0,0,0,0,0,0,,0,0,0,0
O=C1c2ccccc2C(=O)N1CCl,0,0,0,0,0,0,0,0,0,0,0,0
O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1,0,0,0,,,0,,0,0,0,,1
CCOc1ccc(NC(=O)CC(C)=O)cc1,0,0,1,0,0,0,0,0,0,0,0,0
O=C(CS)OCCOC(=O)CS,0,0,,,0,0,0,0,1,0,0,1
CC(O)C(=O)O[Hg]c1ccccc1,0,1,,,,1,1,,,1,,1
CCN(CC)C(=O)N(CC)CC,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(N)cc1S(=O)(=O)O,0,0,,0,0,0,0,0,0,0,0,0
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1,0,0,0,0,0,,,1,,,1,
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0,,,0,,,,,1,0,,
COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,0,1,0,,,0,,,1,,,1
C=C(C)CCl,0,0,0,0,0,0,0,0,0,0,0,0
CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,,,,,,,,0,,0,,
O=C1OC(O)C(C(Cl)Cl)=C1Cl,0,1,0,,0,,1,1,1,,,1
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1,1,0,,,0,0,1,0,0,,1
Nc1ccc(Oc2ccc(Cl)cc2)cc1,0,0,,1,0,0,0,1,0,0,0,0
Cc1cc(O)ccc1N,0,0,1,,0,0,0,,0,1,1,
Nc1ccc2c3c(cccc13)-c1ccccc1-2,0,,1,,1,,,,0,,,
Cc1cccc(O)c1N,0,0,1,,0,0,,1,0,0,0,1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F,0,,,1,,,,1,0,,1,
CCCCCCCCCCl,0,0,0,0,1,0,0,0,0,0,0,0
N#Cc1cc2ccccc2c2ccccc12,1,0,1,,0,0,0,,0,0,,0
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0,,,,,,1,,0,1,1,
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1,0,0,1,1,0,0,0,0,0,0,0,0
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Nc1ccc(N=Nc2ccccc2)c(N)n1,0,0,1,,1,1,0,1,1,0,1,1
Cc1cccc(S(=O)(=O)[O-])c1C,0,0,0,0,0,0,0,0,0,0,,0
CCCCCCCCCCCCOCC1CO1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCCCCl,0,0,0,0,1,0,0,0,0,1,0,0
CCCCCCCCCCCC(=O)N(CCO)CCO,0,0,0,0,0,0,0,,0,,0,0
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)[O-])c(CCC(=O)[O-])c4C)c(C)c3C=C,0,0,0,0,1,1,0,1,0,0,0,0
CC(C)CCOC(=O)c1ccc(N(C)C)cc1,0,0,,,1,0,0,0,1,0,0,0
Oc1cc(O)cc(O)c1,0,0,0,0,0,0,0,,0,,0,0
O=c1[nH]c(=O)c2ccccc2o1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
C=CC(C)(CCC=C(C)C)OC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
OCC(CO)(CO)CO,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1,0,0,0,0,,0,0,0,0,0,0,0
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,0,,,,,,,,,,1,
CCCCC(=O)Cl,,,,0,,0,0,,0,0,0,0
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,0,0,,,,0,,,,0,,1
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C,0,0,0,0,0,0,0,,0,0,0,0
CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO,0,0,0,0,0,0,0,,0,,0,0
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@@](OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,,0,0,0,0
CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@@H](OC(=O)O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,0,,,1,,,,,0,,1,1
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)OC2C1C,0,0,0,,,0,,,0,,0,1
CC(C)CCOC(=O)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C)c(C)c(O)c1,0,0,0,0,0,0,0,0,0,0,1,0
CCC(=O)OCCC(C)CCC=C(C)C,0,0,0,0,,1,0,0,0,0,0,0
CC(C)COC(=O)c1ccccc1O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1,0,0,0,0,0,0,0,0,0,1,0,0
CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,0,0,0,,,0,0,,0,,0,0
CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC,0,0,0,0,0,0,0,0,0,0,0,0
CCCCCCCCCCOC(C)=O,0,0,0,0,1,0,0,0,0,0,0,0
CC(=O)OCCC1CCCCC1,0,0,0,0,0,0,0,0,0,0,0,0
COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,0,0,0,1,,,,1,,0,,
CCN(CC)C(=S)SSC(=S)N(CC)CC,0,1,1,,,0,1,,1,1,1,0
CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1,,,,,,,,0,,1,,
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,0,0,1,1,,0,0,,0,,1,
C1CCOC1,0,0,0,,0,0,0,0,0,0,0,0
CN1C(C)(C)CCCC1(C)C,0,0,0,0,0,0,0,0,0,0,0,0
CC1=CCC(C(C)(C)O)CC1,0,0,0,0,0,0,0,0,0,0,0,0
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,0,0,0,0,0,0,0,0,0,0,0,0
F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,0,,,,,1,1,1,,1,1,
CCOc1ccc(O)cc1,0,0,0,,0,0,,,0,0,0,0
O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,0,0,0,,0,0,0,1,0,,,0
CCSCc1ccccc1OC(=O)NC,0,0,,0,0,0,0,0,0,0,,0
Brc1nc2ccccc2s1,0,0,1,0,0,0,0,1,0,0,0,0
CCC(C)Br,0,0,0,0,0,0,0,0,0,0,0,0
N#CCc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)c1ccc(CO)o1,0,0,0,0,0,0,0,0,0,0,0,0
N#Cc1ccccc1,0,0,0,0,,0,0,0,0,0,0,0
N#CCBr,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O)CBr,0,0,0,0,0,0,0,,0,0,0,0
CN1CC(O)C2=C/C(=N/NC(N)=O)C(=O)C=C21,0,0,0,0,0,0,0,,0,,0,0
Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1,0,0,0,0,0,0,,,0,,0,0
O=S(=O)(O)F,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,1,0,,1,,0,,0,0,0,0
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1,0,,0,0,,0,0,,0,,0,0
CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2,0,0,0,0,0,0,0,,0,,0,0
O=C(Cl)/C=C/C(=O)Cl,0,0,0,0,0,0,0,1,0,0,0,0
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O,0,0,0,0,0,0,0,0,0,0,0,0
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,0,0,0,,0,0,,0,0,0,,0
CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,0,0,0,0,0,,0,,0,0
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I,0,0,1,,,0,0,0,0,0,,0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1,0,0,0,0,0,0,1,0,0,0,,0
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C,1,0,1,,,0,0,1,0,0,0,0
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,0,,,,,,,,,0,,
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,0,0,0,0,,0,1,1,0,0,1,0
CCCCCCCCOC(C)=O,0,0,0,0,0,0,0,0,0,0,0,0
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,0,0,0,0,1,0,,,0,0,,0
O=C(O)CCSCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O,0,0,,0,0,0,0,0,0,0,0,0
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,0,0,0,0,0,0,0,0,0,0,0,0
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,0,0,0,0,0,0,,1,0,0,1,0
CC(C[N+](C)(C)C)OC(N)=O,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0,0,0,0,0,0,0,0,0,0,0,0
CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,1,,,,0,,,0,0,1,0
CCCC(=O)O[C@]1(C(=O)COC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,1,,,0,0,,,0,,1,0
O=C(CBr)OCc1ccccc1,0,0,0,0,,,0,0,0,0,0,0
CCCCCc1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
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COC(=O)c1ccccc1C,0,0,0,0,0,0,0,0,0,0,0,0
CC(C)(C)C(=O)c1ccccc1,0,0,,0,1,,0,0,0,0,0,0
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CCOC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cc(C)cc(N)c1,0,0,,0,0,0,0,0,0,,0,0
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,0,0,,1,0,0,,,0,0,,0
Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O,0,0,1,,1,1,0,0,0,0,1,0
Cc1ccc(S(=O)(=O)[O-])cc1C,0,0,0,0,0,0,0,0,0,0,0,0
Cc1cccc(C)c1N,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(C)c(N)c1,0,0,,0,1,0,0,0,0,0,,0
Cc1cccc(N)c1C,0,0,0,0,0,0,0,0,0,0,,0
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,,,,,,,,0,,0,,
CC=Cc1ccc(O)c(OC)c1,0,0,,,,,0,,0,0,,0
FC(F)(F)C(Cl)Br,0,0,0,0,0,0,0,0,0,0,0,0
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CCCCOC(=O)c1ccc(N)cc1,0,0,1,0,1,0,,0,1,0,0,0
Cc1ccc2c(C)cccc2c1,0,0,0,0,0,0,0,0,0,0,,0
CCC(C)C(C)(COC(N)=O)COC(N)=O,,,,,,,,0,,0,,
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0,0,1,0,1,1,0,,0,0,1,0
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0,0,0,0,0,0,0,0,0,0,0,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,0,0,0,0,0,0,0,0,0,0,,0
CCNCC.O=S(=O)(O)c1cc(O)ccc1O,0,0,0,0,0,0,0,,0,,0,0
Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F,0,0,0,0,0,0,0,0,0,0,,0
OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl,0,0,0,1,1,1,,1,0,0,1,0
CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1,0,0,,,1,0,0,1,0,0,0,0
CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,0,0,0,,,,0,1,0,0,,0
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,0,0,0,0,0,0,0,,0,,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12,0,0,0,0,0,0,0,0,0,0,0,0
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CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C,0,0,0,0,0,0,0,1,0,0,0,0
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CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,0,0,,,0,0,,,0,,,0
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C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,0,,0,,,0,,1,0,0,1,
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CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1,0,0,0,0,0,0,0,0,0,0,0,0
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,1,1,0,1,1,1,0,0,0,0,0,0
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[O-]c1ccccc1-c1ccccc1,0,0,1,0,0,0,0,1,0,0,1,0
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CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.O=C([O-])c1ccccc1,0,,0,,,,,,,,1,
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CCCC(=O)O,0,0,0,0,0,0,0,0,0,0,0,0
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c1cc(-c2ccncc2)ccn1,0,0,0,0,0,0,0,0,0,0,0,0
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COP(=O)(OC)O/C(C)=C/C(=O)N(C)C,0,0,0,0,0,0,0,0,0,0,,0
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C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,0,0,0,0,1,1,0,,0,,0,0
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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,0,0,0,0,,0,0,0,0,0,0,0
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CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O,0,0,,0,0,0,0,,0,,0,0
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Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1,0,,0,1,,0,,,0,,1,
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Cc1ccc([N+](=O)[O-])cc1Cl,0,0,0,0,0,0,0,0,0,0,,0
COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,,0,,0,0,0,0,,0,,0,1
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CC(C)(C)NSc1nc2ccccc2s1,0,0,1,1,0,0,,1,0,1,1,0
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Cc1ccccc1Cl,0,0,0,0,0,0,0,0,0,0,0,0
CS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0,0,0,0,0,0
Oc1ccc2ccc3cccc4ccc1c2c34,0,0,1,1,1,,0,,0,,1,
CC(C)COC(=O)c1ccc(O)cc1,0,0,,,1,1,0,,0,0,1,0
Cn1c(N)nc2c3cccnc3ccc21,,0,1,,0,0,0,0,0,0,0,0
NC(=O)CI,0,0,,,0,0,0,,0,0,0,0
IC(I)I,0,0,,,1,0,0,0,0,0,0,0
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,0,,0,0,0,0,1,0,0,0,0,0
C=CCOCC(CO)(COCC=C)COCC=C,0,0,0,0,0,0,0,0,0,0,0,0
CCc1ccc(O)c(C(C)(C)C)c1,0,0,0,,1,,0,,0,0,1,
Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C,0,0,0,,0,0,0,0,0,0,,0
C#CCN(C)[C@H](C)Cc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1,0,0,1,0,0,0,0,0,0,0,1,0
CCN(CCC#N)c1ccccc1,0,0,0,0,0,0,0,0,0,0,,0
COC(=O)CCCC(=O)O,0,0,0,0,0,0,0,,0,0,,0
OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1,0,0,,,0,0,0,0,0,,,
COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0,0,,,0,0,0,0,0,0,1,0
Cc1ccc(O)c(C(=O)c2ccccc2)c1,0,0,,,0,0,0,0,0,0,,0
O=C(c1ccccc1)c1cccc(O)c1,,0,,,1,1,0,,0,0,1,0
O=C(c1ccccc1)c1ccccc1O,0,0,0,1,0,0,0,0,0,0,0,0
CN1CCc2cc3c(cc2C1O)OCO3,0,,0,0,0,,,,0,,0,
CCCCCCCCCCCCOC(=O)c1ccc(O)cc1,,0,0,,0,0,0,,0,0,1,0
O=C(Oc1ccccc1)c1ccc(O)cc1,0,0,0,,1,1,0,0,0,0,,0
CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C,0,,,,,,,,,1,1,
O=c1[nH]cnc2nc[nH]c12,,,,,,,,0,,0,,
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,0,0,0,,0,0,,,0,,0,0
CN1CC(=O)NC1=N,,,,,,,,0,,0,,
CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,1,0,0,,1,0,0,0,0,0,0,0
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0,0,0,0,,0,,0,0
CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,0,0,,0
C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O,0,0,0,0,0,0,0,,0,,0,0
Clc1ccccc1,0,0,0,0,0,0,0,0,0,0,0,0
CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0,0,1,,,0,0,,0,0,1,1
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O,0,0,0,0,0,0,0,0,0,0,,0
CCC1CO1,0,0,0,0,1,0,0,0,0,0,0,0
FC(F)OC(F)(F)C(F)Cl,0,0,0,0,0,0,0,0,0,0,0,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,1,1,0,0,1,1,0,,0,,0,0
O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,0,0,0,,,0,0,1,0,,1,
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C[C@H]3[C@H]3O[C@@H]43)[C@@]1(Cl)C2(Cl)Cl,0,0,0,1,,0,0,,0,,1,0
ClCC1CO1,0,0,0,0,0,0,0,0,0,0,0,0
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,1,0,0,0,0,0,,0,0,0,0,0
CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,0,0,0,0,0,0,0,,0,,0,0
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C,0,0,,0,0,0,0,0,0,0,0,0
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,0,0,0,0,0,0,0,0,0,0,0,0
Cc1ccc(=O)n(-c2ccccc2)c1,0,0,0,0,,0,0,0,0,0,0,0
Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0,0,0,0,0,0,0,,0,0,0,0
O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,,,0,0,,,,0,,0
NC(=O)CN1CC(O)CC1=O,0,0,,0,0,0,0,,0,,0,0
CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,0,0,0,,0,0,,,0,0,,0
CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,0,0,0,0,0,0,0,,0,,0,0
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,0,0,0,0,,0,,,0,0,,0
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,,,,,,,,0,,0,,
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1,1,0,0,1,0,,,0,0,,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,1,1,0,0,1,1,0,1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O,1,1,0,,1,1,0,0,0,0,1,1
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,0,0,,0,0,0,0,0,0,0,1,0