drugbank_approved_experimental_investigational_scaffolds.csv

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[*]N1CCN([*])CC1,190
[*]C(C)CC,4
[*]C1(CC)C(=O)NC(=O)NC1=O,7
[*]N1C2:N:C:C:C:C:2C(=O)NC2:C(C):C:C:N:C:21,1
[*]CC1:C:C:C(Cl):C:C:1Cl,3
[*]N1:C:C:N:C:1,42
[*]O/N=C(\C[*])C1:C:C:C(Cl):C:C:1Cl,1
[*][C@@]1(O)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,1
[*]CC=C,23
[*]C1([*])C(=O)NC(=O)NC1=O,5
[*][C@H]1C[C@H](O)[C@@H](CO)O1,32
[*]N1:C:N:C2:C(N):N:C(Cl):N:C:2:1,5
[*]NC1:C(C):C:C:C:C:1C,11
[*]OC1:C:C:C:C:C:1OC,14
[*]C1:C:C:C:C:C:1OC,23
[*]C(=O)C[*],107
[*]C1:C:C(N):C:C:C:1O,1
[*]O[C@@H]1C[C@@H]2CC[C@H](C1)N2C,7
[*][C@@H]1C[C@@H]2CC[C@H](C1)N2C,2
[*]C([*])C1:C:C:C:C:C:1,32
[*]OC([*])C1:C:C:C:C:C:1,16
[*]CCC1:C:C2:C(:C:C:1Cl)NC(=O)C2,1
[*]C1:N:S:C2:C:C:C:C:C:1:2,4
[*]NC(CC)CO,1
[*]C(=O)[C@@H]1C=C2C3:C:C:C:C4:C:3:C(:C:N:4C)C[C@H]2N(C)C1,1
[*]C(=O)NCC,5
[*]NCC,47
[*]CC=C,31
[*]C(=O)[C@@H]1C[C@@H]2C3:C:C:C:C4:[NH]:C:C(:C:3:4)C[C@H]2N([*])C1,1
[*]CCCN([*])[*],5
[*]C(=O)N([*])[*],13
[*]CCC[*],108
[*]N1:C:C(I):C(=O):[NH]:C:1=O,5
NC1:C:C:C(S(=O)(=O)C2:C:C:C(N):C:C:2):C:C:1,2
[*]CN1:C:N:C:N:1,10
[*]C1:C:C:C(Cl):C:C:1Cl,45
[*]C[C@H]1CO[C@@]([*])(C[*])O1,3
[*]C[C@H]1COC([*])([*])O1,3
[*]OC[C@H]1CO[C@@]([*])(C[*])O1,3
[*]OC[C@H]1COC([*])([*])O1,3
[*]C1([*])NC(=O)NC1=O,1
[*]C(C)=O,78
[*][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
[*][C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4:C(O):C:C:C:C:4[C@H](C)[C@H]3[C@H](O)[C@@H]12,2
[*]C([*])CC,5
[*]NCN[*],4
[*]CCCC[C@H](N)C(=O)O,10
[*]C(=O)C1=C(O)[C@@H]([*])[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)C1:C(O):C:C:C:C:1[C@@]3(C)O,4
[*]C1:C:C:C:C:C:1Cl,50
[*]C([*])([*])C1:C:C:C:C:C:1,2
[*]C([*])([*])C1:C:C:C:C:C:1Cl,1
[*]C([*])([*])N1:C:C:N:C:1,2
[Ca+2],4
NC1:C:C:C(S(N)(=O)=O):C:C:1,1
N[C@@H]1CONC1=O,1
O=C1CN2CC3:C(:C:C:C(Cl):C:3Cl)N=C2N1,1
[*]NCCCl,2
[*]C(=O)N(CCCl)N=O,8
[*]NC1:O:N:C(C):C:1C,1
[*]S(=O)(=O)C1:C:C:C(N):C:C:1,31
[*]C1:O:N:C(C):C:1C,2
[*]NS(=O)(=O)C1:C:C:C(N):C:C:1,28
[*]CCOC,6
[*]C(=O)C=CC,1
[*]N([*])CC,27
[*]C1:C:C:C:C:C:1C,21
[*]C1:C(O):C2:C:C:C:C:C:2:O:C:1=O,16
[*]CC1:C(O):C2:C:C:C:C:C:2:O:C:1=O,2
[*]C(=O)/C(=N\OC)C1:C:S:C(N):N:1,12
[*]SC1:N:N:N:N:1C,15
[*]CCC1:C:C:C:C2:C:1CC(=O)N2,2
[*]CCC,56
[*]N([*])CCC,7
[*]N([*])CC[*],5
[*]C1:C:C:C:C2:C:1CC(=O)N2,2
[*]OC(C)C,55
[*]C1:C:C:C:C2:N:O:N:C:1:2,3
[*]C(=O)C1=C(C)NC(C)=C(C(=O)OC)C1[*],17
[*]NC1:C(I):C([*]):C(I):C(N[*]):C:1I,1
[*]CCN,20
[*]C1:C:C:N:[NH]:1,3
[*]OS(N)(=O)=O,13
[*]C[C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@@H]1OC(C)(C)O2,1
[*]SCC#N,2
[*]CC#N,2
[*]C(=O)CS[*],7
[*]CC1=C(C(=O)O)N2C(=O)[C@](N[*])(OC)[C@H]2SC1,5
[*]C(C)(C)O,17
[*]N1:C([*]):N:C([*]):C:1[*],4
[*]CN1:C([*]):N:C([*]):C:1[*],2
[*]C1:N:N:N:[NH]:1,16
[*]CC1:C:C:C([*]):C:C:1,70
[*]C1:C2:C:C:C:C:C:2:N:C2:C:C:C:C:C:1:2,2
[*]NC1:C2:C:C:C:C:C:2:N:C2:C:C:C:C:C:1:2,2
[*]NC1:C:C:C([*]):C(OC):C:1,6
[*]NC1:C:C:C(N[*]):C(OC):C:1,2
[*]NC1:C:C:C([*]):C:C:1OC,10
[*]C1:C:C:C([*]):C(OC):C:1,18
CN1:C(=O):C2:[NH]:C:N:C:2:N(C):C:1=O,2
[*]NS(=O)(=O)C1:C:C:C:C2:C:1NCC(C)C2,2
[*]C(=O)[C@@H]([*])CCC[*],3
[*]N1CC[C@@H](C)C[C@@H]1[*],2
[*]OC1:C:C:C(O):C(I):C:1,2
[*]C1:C:C:C(O):C(I):C:1,3
[*]C1:C:C(I):C([*]):C(I):C:1,11
[*]OC1:C(I):C:C([*]):C:C:1I,11
[*]N([*])C(C)C,9
[*]C1:C:C:C:C:N:1,66
[*]CCC([*])([*])C(N)=O,3
[*]N([*])CCC([*])([*])C(N)=O,1
[*]N(CC)CC,116
NCCC(O)(P(=O)(O)O)P(=O)(O)O,1
[*]CC[C@H]1CCCN1C,2
[*][C@]([*])(C)C1:C:C:C:C:C:1,2
[*][C@@]([*])(C)C1:C:C:C(Cl):C:C:1,2
[*]OC([*])([*])C,3
[*][C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O,3
[*]O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O,3
[*]O[C@H]1O[C@H](CO)[C@@H](O[*])[C@H](O)[C@H]1O,13
[*]O[C@H]1O[C@H](CO)[C@@H]([*])[C@H](O)[C@H]1O,15
[*]O[C@@H]1[C@@H](CO)O[C@H]([*])[C@H](O)[C@H]1O,15
[*][C@H]1O[C@H](CO)[C@@H]([*])[C@H](O)[C@H]1O,15
[*][C@H]1O[C@H](C)[C@@H]([*])[C@H](O)[C@H]1O,10
[*]N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,5
[*]N[C@H]1[C@H](O)[C@@H](O)[C@@H]([*])O[C@@H]1C,10
[*][C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,5
[*]O[C@H]1O[C@H](C)[C@@H]([*])[C@H](O)[C@H]1O,10
[*]O[C@H]1O[C@H](C)[C@@H](N[*])[C@H](O)[C@H]1O,10
[*]C1(O)CCCCC1,5
[*]CC([*])C1:C:C:C(OC):C:C:1,1
[*]C1:C:C:C(OC):C:C:1,68
[*]CC([*])C1(O)CCCCC1,4
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[*]C(=O)CCCC[*],14
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[*]OC1:C:C:C:C([*]):C:1,26
[*]C1:C:C:C:C([*]):C:1,119
[*]OCC([*])=O,51
[*][C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,1
[*][C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,1
[*]OC1:C:C:C:C:C:1C,3
[*][C@@H]([*])CCNC,2
[*]O[C@@H]([*])CCNC,2
[*]NCCC[S+](C)C,2
[*]C(=O)[C@@H](C)[C@H](O)[C@@H](C)N[*],2
[*]C(=O)[C@@H](N[*])[C@@H](C)O,19
[*]OC1C(O)C([*])OC(CO)C1O,3
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[*]OC1C([*])OC(CO)C(O)C1O,2
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[*]C(=O)[C@@H](N[*])[C@@H]([*])[*],2
[*]C(=O)[C@@H](N[*])[C@H]([*])O[*],2
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[*]C1:C:S:C([*]):N:1,21
[*]C(=O)C1:C:S:C([*]):N:1,4
[*]CCCl,17
[*]CCCC(=O)O,14
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[*][C@H](C)C1:C:C:C:C:C:1,2
[*]C(=O)C1:C:N:C:N:1[*],2
[*]C(=O)C1:C:N:C:N:1[C@@H]([*])C,2
[*]C(=O)C1:C:C:C(N([*])C):S:1,2
[*]CC1:C:C:C2:[NH]:C(C):N:C(=O):C:2:C:1,2
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,2
CN1CC[C@]23C4:C5:C:C:C(O):C:4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,2
[*]C(=O)[C@@H]1CCCCN1[*],6
[*]CCCC,55
[*]C(=O)C1CCCCN1[*],2
[*]CCC1:N:N:C2:N:1CCCC2,1
[*]CCC(CO)CO,1
[*]N1:C:N:C2:C(=O):N:C(N):[NH]:C:2:1,9
[*]OCOP(=O)(CO[*])OCO[*],4
[*]C(=O)OCOP(=O)(CO[*])OCO[*],2
[*]C(=O)OCOP(=O)(CO[*])OCOC([*])=O,2
[*][C@H](C)C[*],15
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[*]C1:C(F):C:C:C:C:1Cl,4
[*]C(=O)C1:C([*]):N:O:C:1C,8
[*][C@H]1CC[C@H](CN)CC1,1
[*]NC1:C:C:C:C([*]):C:1,45
[*]C(=O)[C@@H]1C[C@H]([*])CN1,6
[*]SC1=C(C(=O)O)N2C(=O)[C@H]([*])[C@H]2[C@H]1C,6
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,1
[*]OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3N[C@@H]3[C@]12OC,1
[*]C1:C:C:C(C(=C)C2:C:C3:C(:C:C:2C)C(C)(C)CCC3(C)C):C:C:1,2
[*]CCCCCCC,6
[*]CCCC([*])O,4
[*]C(N)=O,144
[*][C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(C5:C:C([C@@]6(C(=O)OC)C[C@@H]7CN(CCC8:C6:[NH]:C6:C:C:C:C:C:8:6)C[C@](O)(CC)C7):C(OC):C:C:5N(C)[C@@H]14)[C@@H]32,2
NS(=O)(=O)C1:C:C(C2(O)NC(=O)C3:C:C:C:C:C:32):C:C:C:1Cl,1
[*]C(C)CCC,6
CCCC(CCC)C(=O)O,2
[*]C(=O)C[C@@H](N)CCCN,2
[*]N/C=C1/NC(=O)[C@H](CN[*])NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC1=O,1
[*][C@H]1COC(=O)N1,2
[*]CCC1:C:[NH]:C2:C:C:C(C[*]):C:C:1:2,3
[*]C[C@H]1COC(=O)N1,2
[*]CCC1:C:[NH]:C2:C:C:C([*]):C:C:1:2,7
[*]NC1:C:C:C(O):C:C:1,6
[*]N1CCOCC1,137
[*]OCCC[*],63
[*]NC1:C:C:C(F):C(Cl):C:1,9
[*]OC1:C:C2:C([*]):N:C:N:C:2:C:C:1OC,6
[*]C1:C:C:C(F):C(Cl):C:1,10
[*]OC1:C:C2:C(N[*]):N:C:N:C:2:C:C:1OC,6
[*]C1:N:C:N:C2:C:C(OC):C([*]):C:C:1:2,6
[*]NC1:N:C:N:C2:C:C(OC):C([*]):C:C:1:2,6
COC1:C:C:C2:C3:C:1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,1
[*]C(=O)N1CCN(CC)C(=O)C1=O,4
[*]N1CCN(CC)C(=O)C1=O,4
[*]C(=O)[C@@H]([*])N[*],14
[*]C(=O)[C@H]([*])[*],11
[*]C(=O)[C@@H]1C[C@@H]2C3:C:C:C:C4:[NH]:C:C(:C:3:4)C[C@H]2N(C)C1,5
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[*]CCC[*],25
[*]C1C2:C:C:C:C:C:2CCC2:C:C:C:C:C:21,4
[*]N1:C:C(F):C(=O):[NH]:C:1=O,8
[*]C(=O)C1:C:C:C(C):C:C:1,2
[*]C1:C:C(O):C(O):C([N+](=O)[O-]):C:1,5
[*]C1:C:C:C(C):C:C:1,27
[*]C(=O)C1:C:C(O):C(O):C([N+](=O)[O-]):C:1,1
[*][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,2
N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O,2
O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,1
CN1CC[C@]23C4:C5:C:C:C(O):C:4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,1
[*]CC(=O)O,124
[*]C(=O)N1:C(C):C([*]):C2:C:C(OC):C:C:C:2:1,9
[*][C@@H](CC)CO,1
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[*]CCN[*],113
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CN(C)C(=N)NC(=N)N,1
[*]O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2([*])C,2
[*]C(=O)C([*])CO,6
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CC1:C:C2:C(:S:1)NC1:C:C:C:C:C:1N=C2N1CCN(C)CC1,2
NC(=O)N/N=C/C1:C:C:C([N+](=O)[O-]):O:1,2
[*]C[C@@H]1CC[C@H](Cl)[C@H](OC)C1,2
[*]C(C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)[C@@H](OC)C[C@H]2C,2
[*]C1:N:C:C(C):C(OC):C:1C,6
[*]CS(=O)C1:N:C2:C:C:C(OC):C:C:2:[NH]:1,2
[*]C1:C:N:C:C:N:1,8
[*]C1CCCN(C)C1,1
[*]CC1C2:C:C:C:C:C:2SC2:C:C:C:C:C:21,1
[*]OCC(=O)O,46
[*]CCN1CCN([*])CC1,8
[*]C([*])C1:C:C:C(Cl):C:C:1,8
[*]C(C)(C)C,98
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[*]O[C@H]1C(=O)N(CC[*])C2:C:C:C:C:C:2S[C@H]1[*],2
CNCCCC1C2:C:C:C:C:C:2C=CC2:C:C:C:C:C:21,1
[*]C(=O)C1:C:C:C(N):C:C:1,10
[*]C(=O)C1CCCO1,3
[*]CCCN[*],20
[*]N(C)C1:N:C(N):C2:C:C(OC):C(OC):C:C:2:N:1,2
CN1C(=O)OC(C)(C)C1=O,1
[*]C1C(=O)CCCC1=O,2
[*]C(=O)C1C(=O)CCCC1=O,2
[*]C(=O)C1:C:C:C([*]):C:C:1[N+](=O)[O-],2
[*]C1:C:C:C([*]):C([N+](=O)[O-]):C:1,3
CN1C(=O)CC(=O)N(C2:C:C:C:C:C:2)C2:C:C(Cl):C:C:C:21,1
[*]N1CCCCC1,85
[*]C1:C:C(N):[N+]([O-]):C(N):N:1,2
[*]O[C@]1([*])CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,2
NC1:N:C(=S):C2:[NH]:C:N:C:2:[NH]:1,1
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[*]C(C)(C)C(=O)O,21
[*]C(=O)/C(=N\O[*])C1:C:S:C([NH3+]):N:1,1
O=C1:[NH]:C2:C:C(Cl):C:C:C:2:O:1,1
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[*]C1(CC)CCC(=O)NC1=O,3
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[*]C(O)C1:C:C([*]):N:C2:C([*]):C:C:C:C:1:2,2
[*]C1:C:C([*]):C2:C:C:C:C([*]):C:2:N:1,2
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[*]C1:N:C:C:C:N:1,25
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[*]CCCCC,18
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NCCCC(O)(P(=O)(O)O)P(=O)(O)O,1
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CCCCCCCCCCCCCCCCCCCCCCO,2
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C[C@]12CC[C@@H]3C4:C:C:C(O):C:C:4CC[C@H]3[C@@H]1CCC2=O,1
[*]C1:C:C:C:C(Cl):C:1,41
[*]CCC[*],66
[*]N1:N:C2:C:C:C:C:N:2:C:1=O,2
CNC1(C)C2CCC(C2)C1(C)C,2
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[*]NCCCS(=O)(=O)O,2
[*]CC1CNC(=O)O1,1
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[*]C1:C:C(C):C:C(C):C:1,10
[*]CCC1:C:C:C(OC):C(OC):C:1,8
[*]CCCC([*])(C#N)C(C)C,3
[*]N(C)CCCC([*])(C#N)C(C)C,3
[*]OC1:C:C:C(CN[*]):C:C:1,10
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[*]C1:N:C:C:N:C:1OC,3
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[*]NS(=O)(=O)C1:C:C:C(Cl):C:C:1,3
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[*]O[C@@H]([*])C,14
[*][C@H](C)C1:C:C([*]):C:C([*]):C:1,9
[*]C1:C:C([*]):C:C([*]):C:1,25
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COC1:C:C:C2:C3:C:1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,1
[*]OP(=O)(F)O[*],2
[*]CCCC,37
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[*]CN1:C([*]):N:C(Cl):C:1CO,1
[*]CCC1CCCCN1C,3
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CC1:N:C:C2:N:1C1:C:C:C(Cl):C:C:1C(C1:C:C:C:C:C:1F)=NC2,1
[*][C@H]1O[C@H](CN)[C@@H](O)C[C@H]1N,2
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O=C1CN(/N=C/C2:C:C:C([N+](=O)[O-]):O:2)C(=O)N1,1
[*]C(=O)C1:C:N:C:C(Br):C:1,2
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CN1CCC2:C:C:C:C3:C:2[C@H]1CC1:C:C:C(O):C(O):C:13,2
[*]OC1:C:C:C2:C(:C:1)OCO2,5
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CCC1:C:C:C:C2:C3:C(:[NH]:C:1:2)C(CC)(CC(=O)O)OCC3,2
[*]NC1:C:C:C:C:C:1C,1
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CCN(CC)C(=S)SSC(=S)N(CC)CC,1
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C[C@@H]1O[C@@H]1P(=O)(O)O,1
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[*]C1CC(=O)N(C)C1=O,1
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[*]CCC1:C:C:C(O):C(O):C:1,4
O=C1NC2:C:C:C(Cl):C:C:2C(C2:C:C:C:C:C:2)=NC1O,1
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[*]N1:C2:C/C(=N\C(C)C):C([*]):C:C2:N:C2:C:C:C:C:C:2:1,2
[*]NC1:C:C2:N:C3:C:C:C:C:C:3:N([*]):C2:C/C:1=N\C(C)C,2
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[*][C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]12C,1
NCCS,2
[*][C@H]1CN2CCSC2=N1,2
[*]C1(CC)C(=O)NC(=O)N(C)C1=O,1
[*]C1:N:C:[NH]:C:1/N=N/N(C)C,2
[*][C@H](O)[C@H](C)NC,1
[*]C1:N:C:N2:C(=O):N(C):N:N:C:1:2,2
CN1CC[C@]23CCCC[C@H]2[C@H]1CC1:C:C:C(O):C:C:13,1
NCC(=O)CCC(=O)O,1
[*]CC(O)CO,17
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[*][C@@H](C)C[*],6
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[*][C@@H]1CC[C@@H](O)[C@H](OC)C1,3
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[*]CCCCCC[*],17
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NS(=O)(=O)C1:C:C2:C(:C:C:1Cl)NC=NS2(=O)=O,1
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C/C=C(C(=C/C)/C1:C:C:C(O):C:C:1)\C1:C:C:C(O):C:C:1,2
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,2
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CC1:N:N:C2:N:1C1:C:C:C(Cl):C:C:1C(C1:C:C:C:C:C:1Cl)=NC2,2
CCO,1
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C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4:C:C(O):C:C:C:4[C@H]3CC[C@@]21C,1
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[*]NCC[C@@H]1CCC2:C:C:C3:C(:C:21)CCO3,2
[*]C(=O)NC,3
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[*]O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,3
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[*]CC[NH+](C)C,1
[*][NH+](C)C,2
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[*]C(=O)N(C)CC,2
[*]N(C)CC,7
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C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,2
[*]CCC(=O)O,68
[*]C1:N:C([*]):C([*]):O:1,1
COC(=O)CCC(=O)CN,2
[*]C1:C([N+](=O)[O-]):N:C:N:1C,1
[*]SC1:N:C:N:C2:N:C:[NH]:C:1:2,1
[*]C1:N:C:N:C2:N:C:[NH]:C:1:2,1
[*]SC1:C([N+](=O)[O-]):N:C:N:1C,1
[*]S[Au-][P+](CC)(CC)CC,2
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NS(=O)(=O)C1:C:C2:C(:C:C:1Cl)NCNS2(=O)=O,1
[*]C(=O)C1(N)CCCCC1,1
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[*]C1:C:C(=O):C2:C([*]):C:C:C:C:2:O:1,1
[*]C(CO)CO,7
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NC(=O)NO,1
[*]C1:C:C:C(C#N):C:C:1,32
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[*]CC1:C:C:S:C:1Cl,1
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[*]OS(C)(=O)=O,8
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[*][N+](C)(C)CC,4
[*]C(=O)C([*])(C)C,2
[*][C@H](C)C1:C:C:C:C2:C:C:C:C:C:1:2,2
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[*]NC1:C:C(C):O:N:1,1
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[*]C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,5
[*]C(C)CCC(=O)O,1
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[*]CC1COC([*])(C[*])O1,2
[*]CC1COC([*])([*])O1,2
[*]OCC1COC([*])(C[*])O1,2
[*]OCC1COC([*])([*])O1,2
COC(F)(F)C(Cl)Cl,2
[*]N1C(=O)C2(CCCC2)N=C1CCCC,3
[*]CN1C(=O)C2(CCCC2)N=C1CCCC,3
[*]CC1:C(O):C:C:C2:N:C3:C(:C:C:1:2)CN1:C3:C:C2:C(:C:1=O)COC(=O)[C@]2(O)CC,2
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S=C1:N:C:[NH]:C2:N:C:[NH]:C:1:2,1
[*]C1:C:C(C):C:C:C:1O,2
[*]N([*])CCC([*])[*],4
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[*]CC#C,16
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CC12CC3CC(C)(C1)CC(N)(C3)C2,2
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[*]SP(=O)(OCC)OCC,1
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[*]C(=O)N1CCNC1=O,1
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[*]OCC#CC[*],2
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O=C1CN=C(C2:C:C:C:C:C:2Cl)C2:C:C([N+](=O)[O-]):C:C:C:2N1,1
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CC(O)(P(=O)(O)O)P(=O)(O)O,1
[*][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,43
[*]O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,27
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C=CC(N)CCC(=O)O,1
[*]CCC([*])([*])C#N,5
[*][C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC,2
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[*][C@H]1[C@H](O)[C@@H](O)[C@H]([*])[C@@H]([*])[C@@H]1O,2
[*]C(=O)[C@@H]([*])CC(C)C,11
[*]O[C@H](C[*])CCCCCCCCCCC,2
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[*][C@@H]1OC(=O)[C@H]1[*],2
[*]N1CCCN(C)CC1,2
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[*][C@H]1COC(=O)[C@H]1CC,2
[*]C(C)CCCN,3
[*]NC1:C:C(OC):C:C2:C:C:C:N:C:1:2,1
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[*][N+]1(C)CCCC1,3
[*][C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,18
[*]O[C@H]1C[C@@H](O)[C@]2(CO)[C@H]3[C@H](O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1,1
[*]O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,17
[*][C@H]1C[C@@H](O)[C@]2(CO)[C@H]3[C@H](O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1,1
CS(C)=O,1
[*]C[C@H](O)C[C@H](O)CC(=O)O,1
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NC1:[NH]:C(=O):N:C:C:1F,2
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[*][C@@H]1O[C@H](C)[C@@H](O)[C@H]1O,4
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CN[C@H]1CC[C@@H](C2:C:C:C(Cl):C(Cl):C:2)C2:C:C:C:C:C:21,1
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[*][C@H]1CC[C@@]([*])(C#N)CC1,3
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CCC1(CC)C(=O)NCC(C)C1=O,1
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,2
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[*]CC1:C:C:C(OC):C(OC):C:1,2
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[*]CC1:N:C:C:C2:C:C(OC):C(OC):C:C:1:2,2
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CC1=NS(=O)(=O)C2:C:C(Cl):C:C:C:2N1,1
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NC1:C:C:C2:C:C3:C:C:C(N):C:C:3:N:C:2:C:1,1
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[*]C(=O)C(C)(O)CS(=O)(=O)C1:C:C:C(F):C:C:1,1
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[*]C1:C:C:C:C2:[NH]:C3:C:C:C:C:C:3:C:1:2,4
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NS(=O)(=O)C1:C:C(Cl):C(Cl):C(S(N)(=O)=O):C:1,2
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[*]CC1:C:C:C:C:C:1Br,1
FC(F)(F)C(Cl)Br,1
[*]C(=O)C1:C:C:C(N):C:C:1Cl,1
[*]C1:C(F):C:C2:C(=O):C([*]):C:N3:C:2:C:1OCC3C,1
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O=[As]O[As]=O,2
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O=P1(NCCCl)OCCCN1CCCl,1
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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
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[*]C([*])C1:C:C:C(OC):C:C:1,3
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C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,1
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O[C@H]1C2:N:C:C:N:2C[C@@H](O)[C@@H]1O,1
[*]C1:C:C(O):C(O):C(O):C:1,5
OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@@H]1O,1
NC1:N:C(=O):C2:[NH]:C:N:C:2:[NH]:1,1
[*]C/N=C(\O)[C@@H](/N=C(\O)[C@H](C)C[C@H](O)[C@H](CC(C)C)/N=C(\O)[C@@H]1C/C(O)=N/CCCCCCO/C(O)=N\[C@@H]([*])/C(O)=N\1)C(C)C,1
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,1
[*]C[C@H]1O[C@@H]([N+]2:C:C:C:C([*]):C:2)[C@H](O)[C@@H]1O,4
[*]C(F)C(=O)O,1
[*]CC1:C:C:C([O-]):C:C:1,2
[*][C@@H](O)[C@H](O)CO,1
[*]C1:C:N:C2:N:C(N):[NH]:C(=O):C:2:N:1,3
CC(C)C[C@H](N)P(=O)(O)O,1
[*]C(=O)C1:C:C:C:C2:C(N):C3:C:C:C:C(Br):C:3:[NH+]:C:1:2,1
[*]NC(CO)CO,1
[*]CCN1:C:N:C2:N:C(N):[NH]:C(=O):C:2:1,1
[*]N1:C:N:C2:N:C(N):[NH]:C(=O):C:2:1,1
[*]CP(=O)(O)O,7
[*]C[C@H]1O[C@@H]([*])[C@@H](O)[C@@H]1O,2
OC[C@@]12O[C@@H]1C[C@H](O)[C@@H](O)[C@@H]2O,1
[*]CCCO,7
[*]C1:C(CO):C2:C(:N:1C)C(=O)C=C(N1CC1)C2=O,1
CCNC,1
[*]O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1/N=C(/C)O,1
[*][C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1/N=C(/C)O,1
[*]NC1:C:C:C(CN):C:C:1,3
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO,1
[*]CC1:C2:C(:N(C):C:1C)C(=O)C=C(OC)C2=O,2
[*]OCC1:C2:C(:N(C):C:1C)C(=O)C=C(OC)C2=O,2
[*]C1:N:O:N:C:1O,1
[*]OC1:C:C:C(OC):C:C:1,5
[*]OC1:C:C:C:C2:N:C(N):N:C(N):C:1:2,4
NC1:C:C:C:C:C:1F,1
[*]OCCS,1
O=C(O)CCCCCCCCCCCBr,1
CCCCC(=O)O,1
[*]OC1:N:C(N):N:C2:[NH]:C:N:C:1:2,1
[*]C1:N:C(N):N:C2:[NH]:C:N:C:1:2,1
[*]CC(O)(O)[C@@H](N)CCCC,1
CC1(C)[C@@H]2CC[C@@]1(C)NC2,1
[*]CCC1:S:C([*]):[N+](C[*]):C:1C,1
[*]N([*])S(=O)(=O)C1:C:C:C:C:C:1,4
[*]C[C@H]([*])O,4
[*][C@@H]1NC(=O)CCCOC2:C:C:C(:C:C:2)C[C@@H]([*])NC1=O,2
C1CCOCC1,1
[*]SCCO,2
[*][C@@H]1N=C(O)[C@@H]2CCCN2C1=O,2
[*]C[C@@H]1N=C(O)[C@@H]2CCCN2C1=O,1
CCCCCCCC[S@@](=O)CCO,1
NC1:N:C:N:C2:C:1[C@@H](I)NN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
OC1:C(Br):C:C(Br):C:C:1Br,1
C[C@H](O)[C@@H](C)O,1
[*]S[C@@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O,1
[*]S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,1
[*][C@@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O,1
O=P(O)(O)O[P@](=O)(O)[S-],1
[*][C@H]1/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC2=C(OC)C(=O)C=C(/N=C(O)/C(C)=C/C=C\[C@@H]1OC)C2=O,2
[*]OCCCCCCCCCCCCCCC,1
[*]C(=O)CC(C)C,4
[*]O[C@H]1CC([*])([*])[C@@H]2CC[C@@]34C[C@@H](CC[C@@H]3[C@@]2(C)C1)C(=C)[C@@H]4O,1
[*][C@H]1CC([*])([*])[C@@H]2CC[C@@]34C[C@@H](CC[C@@H]3[C@@]2(C)C1)C(=C)[C@@H]4O,1
[*]COO,1
[*]O[C@@H]1[C@@H]([*])[C@@H]([*])[C@H]([*])O[C@@H]1[*],1
[*]O[C@H]1O[C@@H]([*])[C@H]([*])[C@H]([*])[C@H]1O[*],1
[*]CC1:C:C(OC):C:C:C:1OC,2
[*]N(C)C1:C:C:C2:N:C(N):N:C(N):C:2:C:1,1
[*]C1:C:C:C2:C:C:C:C:C:2:N:1,2
[*]C[C@H]1O[C@H]([*])[C@H](O)[C@@H](O)[C@@H]1O,2
[*]O[C@H]1O[C@H](C[*])[C@@H](O)[C@H](O)[C@H]1O,1
[*]C(F)(C(=O)O)C(=O)O,1
[*]C[C@H](/N=C(\C)O)/C(O)=N/[C@H]1CCCCN([*])C1=O,1
[*]C[C@H](/N=C(\C)O)/C(O)=N/[C@H]1CCCCN(C[*])C1=O,1
[*]CC(O)O,2
[*]N([*])CP(=O)(O)O,2
[NH3+]CC1CCCCC1,1
[*]OC(C(=O)O)C(=O)O,1
[*]N/C(O)=N/[C@@H](C[*])/C(O)=N/CCCCC,1
[*]C(=O)O,7
[*]NCCCC[C@H](N)CO,1
CO[C@H](C(=O)CO)[C@H](O)[C@H](O)CO,1
[*]C1:N:C2:C(=O):[NH]:[NH]:C(=O):C:2:[NH]:1,1
N[C@@H](C[SeH](=O)=O)C(=O)O,1
[*]OC[C@H](N)C(=O)[O-],3
[*]C(=O)[C@H]([*])/N=C(\[O-])C1:C(OC):C:C:C:C:1OC,1
[*]C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO,1
N[C@@H](CCC(=O)NO)C(=O)O,1
O=C1N(O)C(O)=N[C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,1
CCCCCCCCCCCCC(=O)O,1
[*]CCCCCCCCC,3
[*]OCCCCCCCCC,1
O[Sb](O)O,1
[*][C@@H]1OC[C@H]([*])[C@H]1O,1
[*]N/C(S)=N/CC,1
[*]C1:C2:C:C:C(=O):C:C2:O:C2:C:C(O):C:C:C:1:2,1
[*]O[P@H](=O)CCCCCCCCCCC,1
[*]SC1:C:C:C([N+](=O)[O-]):C:C:1[N+](=O)[O-],1
[*][C@@H]1/C2=C(\C)C3=N[C@H]([C@H]([*])[C@]3([*])C)[C@]3(C)N/C(=C(/C)C4=N/C(=C\C(=N2)C1(C)C)[C@@H]([*])[C@@]4([*])C)[C@@H]([*])[C@@]3([*])C,1
[*]SCP(=O)(O)O,1
[*]OC1:C:C(=O):S:C2:C:C:C:C:C:1:2,1
[*]C1:C:C(=O):S:C2:C:C:C:C:C:1:2,1
[*]C1:C:C2:C:C(C(N)=[NH2+]):C:C:C:2:[NH]:1,5
NCC1:C:C:C:C:C:1,1
[*]CCCCC[P@@](=O)(F)OC,1
[*]C1:C:C:C2:C(:C:1)C(C)(C)CCC2(C)C,6
[*]C(=O)C[*],12
C[S@](=O)CC[C@H](N)C(=O)O,1
[*]C1:C(C):C2:N3:C:1C=C1:C([*]):C(C):C4:N:1[Fe+2]31N3C(=C2)C(C=C)C(C)C3=C(C2:C:C:C:C:C:2)C2:C(C=C):C(C):C(:N:21)C=4,1
C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1N,1
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C2:N:N:N:N:21,1
[*]N1CNC2:C(O):N:C:N:C:21,1
[*]NC1:C:C:C2:C(:C:1)C(C(C)C)=NCC2,1
CO/C(O)=N/CCCCC/C(O)=N/[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,1
[*]N1CCC1=O,1
[*]CCC[C@H]([*])C(=O)O,1
[*]CC/N=C(\O)[C@H](CCCCN)/N=C(\O)[C@H](CO)/N=C(\O)C[*],1
[*]NC[C@@H](C)C[*],1
[*]N1:C:C:C2:C:C:C:C:C:2:1,2
[*]CC[C@](C)(O)CBr,1
[*][C@@H](C)[C@@H](N)C(=O)O,1
[*]C[C@H]1O[C@@H]([N+]2:C:C:C:C(C(=N)O):C:2)[C@H](O)[C@@H]1O,3
[*]N1:C:N:C2:C:1:N:C:N1:C:C:N:C:2:1,2
[*]C[C@@H](O)CO,8
[*][C@@]1([*])C[C@H](O)[C@@H](N[*])[C@H]([*])O1,1
[*]N[C@@H]1[C@@H](O)CC([*])([*])O[C@H]1[*],2
[*]SSCCO,3
[*][C@@H](N)[C@@H](C)O,2
[*]N1C(=O)C(CC(C)C)=N[C@@]1([*])O,1
CN1:C:N:C2:C(O):N:C(N):N:C:2:1,1
[*]N(C)C(N)N,1
[*]C(C)(C)N,1
[*]OS([O-])([O-])[O-],1
[*]C[C@@H](O)C([*])CO,1
[*]N1C[C@@H](O)[C@H](O)[C@H]1CO,1
[*]C[C@H]1O[C@@]2(N=C(O)N=C2O)[C@H](O)[C@@H]1O,1
[*]C[C@H](O)C(=O)O,2
[*]CCCCO,1
[*]N1:C:N:C2:C(=O):[NH]:C([*]):N:C:2:1,1
[*]NC1:N:C2:C(:N:C:N:2[*]):C(=O):[NH]:1,2
[*]C[C@@H](O)[C@H](O)C(C)=O,1
[*]C[C@H]1C[C@@H]([N+]2:C:C:C:C(C(=N)O):C:2)[C@H](O)[C@@H]1O,1
N/C(=N\C[C@H](N)C(=O)O)NO,1
[*]CC(CO)CO,1
[*]C1:[NH]:C(=O):[NH]:C(=O):C:1C,2
[*]CCC[C@H](/N=C(\O)CCC(=O)O)C(=O)O,1
[*]N1:C(O):N:C2:C(=O):[NH]:C(N):N:C:2:1,1
[*]CC1:C:C:C(B(O)O):C:C:1,1
[*]CCCP(=O)(O)O,1
[*]OCCCP(=O)(O)O,1
[*]OC1:C:C:C2:C(:C:1):C([*]):C(C):N:2[*],2
[*]OC1:C:C:C2:C(:C:1):C([*]):C(C):N:2C[*],2
[*]N1:C(C):C([*]):C2:C:C([*]):C:C:C:2:1,2
[*]CN1:C(C):C([*]):C2:C:C([*]):C:C:C:2:1,2
[*]CC1:N:C:C:[NH]:1,1
[*]CC(=O)OC,6
[*]C[C@H](OC)[C@@H](C)C[C@H](C)CC[C@H](N)[C@H](C)C(=O)O,1
[*]OS(=O)(=O)/N=C(\O)[C@@H]1CCCN1,1
[*]OC1:C:C:C2:C:C:C:C:C:2:C:1,3
[*]CC([*])N[*],2
[*]OCC([*])N[*],2
[*]C1:C:C([*]):C(O):C:C:1O,4
[*]CC(=O)[C@@H](O)[C@@H](O)[C@H](O)C[*],1
O=C([O-])/C(=C\OP(=O)=O)C1:C:C:C:C:C:1,1
[*]C[C@H](O)CC(=O)S[*],1
N[C@H](CCC(=O)O)C(=O)O,1
[*]C1NC2:C:C:C:C:C:2C1=O,3
[*]C1C(=O)NC2:C:C:C(S(=O)(=O)O):C:C:21,1
CCN(CC)C(=S)S,1
O=C1C(O)=CC(=O)C2:C(O):C:C(O):C:C:21,1
O=C(O)C(=O)CP(=O)(O)O,1
[*]C[S+](C)CCON,1
[*][C@@H]1O[C@@H]([*])[C@@H](O)[C@H]1O,1
[*]C[C@H]1O[C@@H]([*])[C@@H]2OC3(O[C@@H]21)C([N+](=O)[O-])=CC(=[N+]([O-])O)C=C3[N+](=O)[O-],1
OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@H]1O,1
[*]C[C@H](N)C=O,3
[*]C(=O)[C@@H]1O[C@@H]([*])C[C@H](N)[C@H]1/N=C(/C)O,1
CC(C)C(=O)O,1
NC1:C:C:C2:N:C(N):N:C(N):C:2:C:1,1
O=C[C@H](O)CO,1
[*]OC1:C:C:C(C):C:C:1,2
[*]C1:C(C):N:C2:C:C:C:C:N:1:2,2
[*]C1:C:C:C2:[NH]:C(=N):N:C(O):C:2:C:1,2
[*]C[C@@H]([*])C(=O)O,3
[NH3+]CCCCO,1
C[C@H](CF)C[C@H](N)C(=O)O,1
[*]C1:C:C:C:[NH]:1,4
[*]OC1:C:C:C2:C([*]):N:S:C:2:C:1,1
[*]C1:N:S:C2:C:C([*]):C:C:C:1:2,1
[*]N([*])C1:C:C:C:C(C[*]):C:1,1
[*][C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O,1
[*]C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,1
[*]N1:C:C(C):C(O):N:C:1=O,12
[*]O[C@H]1C[C@H]([*])O[C@@H]1C[*],2
[*]CCCC#C,3
[*]CC1:C:C(OC):C(OC):C(OC):C:1Cl,3
[*]C1:C:C(OC):C(OC):C(OC):C:1Cl,3
[*]N1:C([*]):N:C2:C(N):N:C(F):N:C:2:1,4
[*]CC1:N:C2:C(N):N:C(F):N:C:2:N:1[*],4
[*]NC1:C:C:C2:C(:C:1)[C@@H](CC)CNC2,1
[*]C/C=C(\C)CCC[*],8
[*]CCCCN,7
[*]NCCCCN,5
[*]C[C@H](/N=C(\O)CC[C@@H](N)C(=O)O)/C(O)=N/C/C(O)=N/CCCN[*],1
[*]NCCC/N=C(\O)C/N=C(\O)[C@H](CSS[*])/N=C(\O)CC[C@@H](N)C(=O)O,1
[*]CCC/N=C(\O)C/N=C(\O)[C@H](C[*])/N=C(\O)CC[C@@H](N)C(=O)O,1
[*]CCC/N=C(\O)C/N=C(\O)[C@H](CSS[*])/N=C(\O)CC[C@@H](N)C(=O)O,1
[*][C@H]1O[C@H]([*])[C@@H](O)[C@H](O)[C@H]1O,2
[*]C(=O)[C@@H](CC(C)C)N=C(N)N,1
[*]CC1:C:C:C(N[*]):C:C:1,4
[*]OCC1:C:C:C(N[*]):C:C:1,1
[*]OP(=O)(O)N[C@@H](CC(C)C)/C(O)=N/[C@@H](C[*])C(=O)O,1
[*]C(=O)[C@H](S)C[*],1
[*]N1CC[C@H]2CCCC[C@@H]21,1
[*]C[C@H]1CC[C@@H]2N[C@@H](N)N[C@@H](N)[C@@H]2C1,1
[*]O[B-](O)(O)[C@@H](C[*])N[*],2
OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O,1
[*][C@H]1CN=C2:[NH]:C(N):N:C(=O):C:2=N1,1
[*]SC(=O)CCCCC,3
[*]NCCCCCC/C(O)=N/O,1
[*][C@H](C)O,4
[*]C1:C:C([*]):C2:C(:N:1)[C@@H](O)CC=C2,1
[*]NC1:C:C:C:C(SC):C:1,2
[*]C1:C:C:C:C(SC):C:1,3
[*]C1:N:C:C2:C:C([*]):C(=O):N(C):C:2:N:1,3
[*]NC1:N:C:C2:C:C([*]):C(=O):N(C):C:2:N:1,3
[*]O[P@](=O)(O)OP(=O)(O)O,3
[*]C[C@@H]1C=C[C@H]([*])O1,3
[*]C[C@H](S)C(=O)O,1
N[C@@H](CCCC=O)C(=O)O,1
[*]C1OC(CO)C(O)C(O)C1O,4
[*]OC1OC(CO)C(O)C(O)C1O,4
[*]O/C(O)=N/CCC[*],2
[*]OCCC/N=C(\O)O[*],1
[*]CC(N)C[*],3
[*]OC1:C:C(/C(O)=N/CCC[*]):C:C([N+](=O)[O-]):C:1,6
[*]CCC/N=C(\O)C1:C:C([*]):C:C([N+](=O)[O-]):C:1,6
[*]NC1:C(N[*]):C(=O):C:1=O,4
[*][C@H]1C[C@H]([*])[C@@H](CO)O1,3
C[C@H](O)C[NH3+],1
[*]C1:C(C):C2:N3:C:1C=C1:C([*]):C(C):C4:N:1[Fe+2]31N3:C(:C(C):C(C=C):C:3C=C3:C(C):C(C=C):C(:N:31)=C2)C=4,1
C[C@@H](/N=C(\O)[C@@H](C)/N=C(\O)CCCC[C@H](/N=C(\O)CN)C(=O)O)C(=O)O,1
C=CC(=O)O,1
[*]C(=O)[C@H]([*])CC(C)C,2
[*]OCC1:C:C:C([*]):O:1,1
C=C(C)[C@@H](/N=C(\O)C(CS)/N=C(\O)CCCC(N)C(=O)O)C(=O)O,1
[*]N(C)C1:C:N:C2:N:C(N):N:C(N):C:2:C:1,3
N=C(N)C1:C:C:C(CO):C:C:1,1
CC1:C:C:N:C2:C:1:C:C:C1:C(C):C:C:N:C:1:2,1
[*]O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@](C)(C=C)O[C@]12C,2
[*][C@@H]1N=C(C(=O)O)C(=C)CO1,2
[*][C@H](C(=O)O)/C(O)=N/[C@@]([*])(C=O)OC,1
CC[Se]C(=N)N,1
C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O,1
CC1:C:C2:N:C:[NH]:C:2:C:C:1C,1
[*][C@H]1C[C@]([*])(O)C[C@@H](O)[C@@H]1O,2
[*]C1:C(O):C(O):C:C2:O:C3:C(:C(=O):C:1:2)[C@H](OC)O[C@@H](C)C3,1
[*]O[C@H]1C[C@@H](/C(O)=[NH+]/CCS(=O)(=O)O)N[C@@H]1CO,1
[*][C@H]1C[C@@H](/C(O)=[NH+]/CCS(=O)(=O)O)N[C@@H]1CO,1
[*][C@@H]1O[C@H](CO)[C@@H]([*])[C@H](O)[C@H]1/N=C(/C)O,4
[*]O[C@@H]1O[C@H](CO)[C@@H]([*])[C@H](O)[C@H]1/N=C(/C)O,4
[*]OP(=O)(O)CP(=O)(O)OP(=O)(O)O,2
[*]C(=O)[C@@H](S)CCCCC,1
[*]SCC1:C:C(N):C:C2:C(=O):[NH]:C(N):N:C:1:2,2
[*]SCCC,1
[*]CC1:C:C(N):C:C2:C(=O):[NH]:C(N):N:C:1:2,3
[*]O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1N[*],1
[*]N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1[*],1
[*]C(N)C(=O)O,1
[*]N1CCC2:C:C(S(N)(=O)=O):S:C:2S1(=O)=O,1
[*]OC1:N:C(N):C:C2:[NH]:C:N:C:1:2,1
[*]C1:N:C(N):C:C2:[NH]:C:N:C:1:2,1
[*]C[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,1
CC[C@@H](C)O,2
[*][C@@H](O)[C@@H](CO)/N=C(\C)O,1
[*]C[C@@H](O)[C@H](N)C(=O)O,1
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[*]CC1:C:C([*]):C(Br):C(OC):C:1,1
[*]CC(N)=O,3
[*]N([*])CC(N)=O,1
CCO[PH](=O)OCC,1
[*]CCC[C@H](/N=C(\O)[C@@H]1C[C@@H](O)CN1[*])C([*])=O,1
[*]N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O,1
[*]C1:C:N:C(C):C:C:1N,1
[*]C1:C:N(C):N:N:1,1
[*][C@H]1SC=C(C(=O)O)NC=C1C=O,1
CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O,1
[*]N1:C:N:C2:C:C(C):C:C:C:2:1,1
[*]C[C@H]1O[C@@H]([*])[C@H]([O-])[C@@H]1[O-],1
[*]N1C=C[C@H]([*])C(C(=N)[O-])=C1,1
[*]N1:C:C2:C(=S):N([*]):C:N:C:2:N:1,1
NOCC[C@H](N)C(=O)O,1
OCC1:C:C:C(Br):C:C:1,1
O=C(O)CP(=O)(O)O,1
C[P@@H](=O)[O-],1
[*]OC1=NS(=O)(=O)C2:C:C:C:C:C:21,1
[*]C[C@@H]1OCCC2:C1:S:C(N[*]):C:2[*],1
O=C(O)CCC(=O)CF,1
[*]C(=O)C[NH3+],1
[*]NC1:C:C:C([*]):C:C:1N[*],4
[*]NC1:C:C:C2:C:C:N([*]):C:2:C:1,3
[*]N1:C:C:C2:C:C:C([*]):C:C:2:1,1
[*][C@]1(C)C2=CC3:C([*]):C([*]):C4:N:3[Fe@@]35N2C(=C1CCC(=O)O)C=C1N3C(=C(CCC(=O)O)[C@@]1([*])C)C=C1:C([*]):C([*]):C(:N:15)=C4,1
[*]NC1:C:C:C:C([N+](=O)[O-]):C:1,2
[*]C1:S:C(N):N:C:1C,1
[*]NCC1:N:C2:C(F):C(F):C:C(F):C:2:S:1,1
[*]C(=O)C1:C:C:C(F):C:C:1O[*],1
[*]C(=O)C1:C:C:C(F):C:C:1[*],3
[*]C[C@H]1O[C@@H]([*])[C@@H]2OP(=O)(O)O[C@@H]21,1
O=C([O-])C1=[NH+]CCC1,1
[*]C1:C:C(CC):C(O):C:C:1O,3
[*]C1:N:[NH]:C([*]):C:1[*],2
[*]C(=O)C1:C:C:C:C2:C(N):C3:C:C:C:C:C:3:N:C:1:2,1
[*]CCN,1
[*]C(CCCCCN)S[*],1
C[P@H](=O)O,1
[*][C@@H]1CSCN1,1
C[C@@H](O)[C@@](C)(O)CN,1
[*]C1:C:S:C(CO):N:1,1
[*]NC1([*])CC1,2
[*]C1([*])CC1,1
[*]C(=O)C1:C:N:N([*]):C:1O,1
[*]N1:N:C:C([*]):C:1O,1
[*]C1:C:C:C(S(C)(=O)=O):C([*]):C:1C,1
[*]C(=O)C1:C:C:C(S(C)(=O)=O):C([*]):C:1C,1
CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2,1
[*]C/C=C/[C@@H](C)C(=O)O,1
[*]C[C@@H](C)C(=O)O,1
[*]C(C)[C@H]1CN[C@H]([*])[C@H]1[*],1
[*]C/C=C(/C)[C@H]1CN[C@H]([*])[C@H]1[*],1
[*][C@H]1CCCN1,1
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O,1
[*]C(=O)C[C@H](O)C([*])=O,1
[*]S(=O)(=O)C1:C:C(S(=O)(=O)C2:C:C:C:C:C:2):C:S:1,2
[*]C1:C:C:C:C(B(O)O):C:1,1
[*]NS(=O)(=O)C1:C:C(S(=O)(=O)C2:C:C:C:C:C:2):C:S:1,2
[*][C@@H]1CCCC[C@H](OC)[C@H](OC)/C=C/[C@H](C)[C@@H]2O[C@](O)([C@H](C)C(=O)O1)[C@H](OC)[C@@H](O)[C@@H]2C,1
[*]C(=O)[C@@H](O)[C@@H](O)[C@@H]([*])COC,1
[*]C(C)C([*])C,1
[*]C/C=C(\C)C([*])C,1
[*]NCC[C@@H]([*])C,1
[*]CC1:C:O:C([*]):N:1,1
[*]C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]([*])OC,1
[*]CC[C@@H]1O[C@]2(C[C@@H](O)[C@@H]1C)O[C@H]([*])[C@H]([*])C2(C)C,1
[*]NCC1:C:C(F):C(F):C(F):C:1,1
[*]C1:C:N2:C(:N:1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO,1
[*]C1N=C(O)C(CCC(=O)O)=C1C,1
[*]CC1:[NH]:C(/C=C2\[NH]/C(=C\C3=NC(=O)C(CCC(=O)O)=C3C):C(C=C):C:2C):C(C=C):C:1C,1
[*][C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]1O,1
[*]C1:C:C:C:C2:C(S(N)(=O)=O):C:C:C:C:1:2,1
[*]C1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,1
[*]CCCl,3
[*]N1C(=O)O[C@@]2(C[C@]3(CC)C=CCN4CC[C@@]5(C6:C:C([C@@]7(C(=O)OC)C[C@H]8CN(CCC9:C7:[NH]:C7:C:C:C:C:C:9:7)C[C@](O)(CC)C8):C(OC):C:C:6N(C)[C@@H]25)[C@@H]43)C1=O,1
[*]CC[C@H](N)/C=C/S(=O)(=O)C1:C:C:C:C:C:1,1
[*][C@H]1CC[S@](=O)C1,1
[*]C(=O)N1CCN([*])CC1,11
[*]C(=O)N1C(C2:C:C:C(OC):C:C:2[*])=N[C@@H]([*])[C@H]1[*],2
[*]N1C(C2:C:C:C(OC):C:C:2[*])=N[C@@H]([*])[C@H]1[*],2
[*]C1:C:C([*]):C2:C(:C:1)N(C1:C(Cl):C:C:C:C:1Cl)C(=O)NC2,1
[*]C1:C:C(F):C:C:C:1[O-],1
[*]C1:C(C=O):C:C2:C:C:C:C:N:1:2,1
[*]CC(=N)O,1
[*]CC([*])C[SH](=O)=O,1
[*]C(C)C1:C:C:C2:C(:C:1)C(C)(C)CCC2(C)C,1
NCC[C@H](CC(=O)O)[C@@H](CN)CCC(=O)O,1
[*][C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1[*],1
[*][C@@H](C)/N=C(\O)C1:C:C(F):C:C:C:1O,1
[*]SC1:C:C:C(O):C([*]):C:1,1
[*]C/C=N/C1:C(CN):N:N:C2:C:C:C:C:C:1:2,1
C=C1C=NC(C(F)(F)F)=NC1=N,1
[*]C(=O)C([*])(F)F,1
[*]OC(CCC[*])CCC[*],2
[*]O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O,7
[*][C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O,8
[*]N1:C(O):C:C(O):N:C:1=O,1
CC1:C:C:C:C2:S:C3:N:N:C:N:3:C:1:2,2
C=C(CCC[C@H](N)C(=O)O)C(=O)O,1
[*]C[C@@]12OC[C@H]3OS(=O)(=O)O[C@H]3[C@@H]1OC(C)(C)O2,1
C=CC[S@@](=O)C/C=C/S,1
[*]N1:C:N:C2:C(SC):N:C:N:C:2:1,1
[*]C[C@H]1CCC(O)=N1,1
[*]OC1:N:C(=N):[NH]:C2:[NH]:C:N:C:1:2,2
[*]OC[C@H]1CCC(O)=N1,1
[*]C1:N:C(=N):[NH]:C2:[NH]:C:N:C:1:2,2
[*]C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,1
[*]OP(=O)(O)OS(=O)(=O)O,3
[*]O/C(O)=N/CC[*],1
NC[C@@H](CO)C(=O)O,1
[*]N1:C:N:C2:N:C(O):N:C:C:2:1,1
[*][C@@H]1CC(=O)[C@@H](C)C1(C)C,1
N/C=C/OP(=O)(O)O,1
[*]C(P(=O)(O)O)P(=O)(O)O,1
[*]SC(=O)CCCCCCC,2
[*][C@@H]1CNC2:N:C(N):N:C(N):C:2N1,1
[*]SC(=O)CC,1
[*]C/C=C(\C)C=C,1
[*]C(C)C=C,2
[*]C/C=C1/C(C)=CCCC1(C)C,1
[*]C1C(C)=CCCC1(C)C,1
[*]S(=O)(=O)C1:C:C:C([*]):S:1,1
[*]N(C)S(=O)(=O)C1:C:C:C([*]):S:1,1
[*]C1:C:C:C(=O):[NH]:N:1,3
[*]CC1:C:C(OC):C(OC):C(OC):C:1,1
[*]C1:C(C):C2:N3:C:1C=C1:C([*]):C(C):C4:N:1[Zn]31N3:C(:C(C):C(C=C):C:3C=4)C=C3:C(C=C):C(C):C(:N:31)=C2O,1
[*][C@@]12C[C@H](O)[C@@H](CO)[C@@H]1C2,1
OC(O)(C(F)(F)F)C(F)(F)F,1
C=C(C)[C@@H]1CC[C@@]2(C)O[C@H]2C1,1
[*]C(=O)OP(=O)(O)O,1
[*]N[C@H](CCCCCC(=O)O)[C@H](C)N,2
[*][C@H](CCCCCC(=O)O)[C@H](C)N,1
[*]C1:C:C(N):C(O):C:C:1O,1
[*]N1CCSC2:C:C:C(OC):C:C:2C1,2
[*]CC/N=C(\O)CS[*],2
[*]C/C(O)=N/CC[*],2
[*]C(=O)[C@@](C)(O)CS(=O)(=O)C1:C:C:C(F):C:C:1,1
[*]N1:C:C:C2:C(N):N:C:N:C:2:1,2
[*]N1:C:N:C2:C(C):N:C:N:C:2:1,3
[*]OCCCC(=O)O,5
[*]OP(=O)(O)OP(=O)(O)C[As](=O)(O)O,1
CCCCCCC(=O)O,2
[*][C@H]1CSC(/C(N)=C/C)=N1,1
C[C@H](N)[C@@H](CCCCCC(=O)O)CC(=O)O,1
[*][C@H]1[C@@H](O)[C@@H]([*])[C@H](O)[C@@H](O)[C@@H]1O,1
[*]SC[C@H](/N=C(\O)CCCN)/C(O)=N/CC(=O)O,1
[*]SCC1:C:C:C(OC):C:C:1,1
[*]C[C@H](/N=C(\O)CCCN)/C(O)=N/CC(=O)O,1
[*][C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,1
[*][C@@H](C)/N=C(\O)[C@]1(CC)[C@@H](C)C1(Cl)Cl,1
O=CN(O)CCCP(=O)(O)O,2
[*]C1:C(C):C2:N3:C:1C=C1:C([*]):C(C):C4:N:1[Fe@]31N3C(=CC5=C(C)[C@@H](C=C)C(=C2)N51)[C@@H](C(=C)O)C(C)=C3C=4,1
NC1=NC(=O)C([C@H]2CCNC(=O)C3=NC(Br)=C[C@H]32)=N1,1
O=C(O)C(=O)CO,1
CC(C)(N)C(=O)O,1
[*]C[C@H](CS)C(=O)O,1
O=C(O)CN(O)C(=O)O,1
[*]CC[C@H](O)CCCCCC,1
[S-]SSS[S-],1
[*]N1:C([*]):C:C(=O):[NH]:C:1=O,1
C[Se](=O)CC[C@H](N)C(=O)O,1
[*]CC1:C:C:C(C[NH3+]):C:C:1,1
[*]NCC1:C:C:C(C[NH3+]):C:C:1,1
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,1
C1:C:C:C2:[NH]:C:N:C:2:C:1,2
[*]C1:C:C(Cl):N:C2:C:C:N:N:1:2,1
[*]NC1:C:C:C(S(C)(=O)=O):C:C:1,2
[*]NC1:C:C(Cl):N:C2:C:C:N:N:1:2,1
OC[C@H]1O[C@@]2(N=C(S)N=C2O)[C@H](O)[C@@H](O)[C@@H]1O,1
N[C@@H](CCCN[P@@](N)(=O)NS(=O)(=O)O)C(=O)O,1
CCN1C(=O)C=CC1=O,1
[*]C(=O)[C@H]([*])/N=C(\[O-])C[*],2
[*]C1:S:C:N:C:1C,2
[*]OCC[C@H](N)C(=O)O,1
[*]C[C@@H](N)CC,1
NS(=O)(=O)C1:C:C:C(/N=N/C2=C3:C:C(Br):C:C:C:3=NC2=O):C:C:1,1
[*]N1CCC[C@H]1C(=N)O,1
[*]C(=O)[C@@H]1COC(C2:C:S:C([*]):N:2)=N1,1
[*][C@H](O)[C@@H]1/N=C(/O)C/N=C(/O)C2:N:C(:S:C:2[*])[C@H](C(C)C)/N=C(/O)C2:N:C(:S:C:2C)[C@H](C/C(O)=N/C)/N=C(/O)C2:C:S:C(:N:2)C2:C:C:C([*]):N:C:2C2:C:S:C(:N:2)C2:C:S:C1:N:2,1
[*][C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1F,1
[*]O[C@H](O)N[*],1
[*]NCCCCC,3
[*][C@@H](C[*])[C@@H]([*])O,1
[*][C@@H](C[*])[C@H](O)N[*],1
[*][C@H](O)[C@H](C[*])N[*],1
[*]N[C@@H](C[*])[C@@H](O)N[*],1
[*][C@H](O)[C@@H]([*])C[*],1
[*][C@@H](C[*])[C@@H](O)N[*],1
CC(C)[C@H](O)[C@H](N)C(=O)O,1
CS/C(N)=N/CCCCCCCCCCCCCC/N=C(\N)SC,1
[*]OP(O)(=S)S,2
[*]N[C@@H](CCCC)C(=O)O,1
[*][C@@H](CCCC)C(=O)O,1
[*]CCCC,2
[*]C/C=C/CCCCCCCCCO,1
[*]C/C=C\CCC,1
[*]CCCCCCCCCCO,1
O=S(=O)(O)C1:C:C:C([Hg]):C:C:1,1
[*]C1:N:C:N:C2:C:C(OC):C(OC):C:C:1:2,6
[*]NC1:N:C:N:C2:C:C(OC):C(OC):C:C:1:2,2
N=C1:N:C(O):C2:N:C(I):[NH]:C:2:[NH]:1,1
[*]NS(=O)(=O)C1:C:C:C(S(N)(=O)=O):S:1,3
[*]SCC(N)=O,1
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[*]OC1:C:C:C:C([*]):C:1O,3
[*]SC(=O)CCCCCCCCCCCCCCC,2
[*]C1:C:C:C(/N=C(\N)SCC):C:C:1,1
CC1:N:C2:C(=O):[NH]:C(N):N:C:2:O:1,1
C[As](C)(=O)O,1
[NH3+]C1CCCCC1,1
CC(C)C[C@H](CS)C(=O)O,1
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,1
[*]N1:O:C(=O):[NH]:C:1=O,1
[*]C[C@H](C)O,1
[*]O[C@H]1CC(C)(C)C(=C=CC([*])C)[C@](C)(O)C1,1
[*]O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C[*])[C@](C)(O)C1,1
[*]C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,2
[*]CC1=CC([*])OC1=O,1
OC1:C:C:C(I):C:C:1,1
N[C@@H](CC/C(O)=N/[C@@H](CS(=O)(=O)O)/C(O)=N/CC(=O)O)C(=O)O,1
[*][C@H](C[S@](C)=O)C(=O)O,1
[*]N1C(=O)[C@@H](/N=C(\O)CCC[C@H](N)C(=O)O)[C@H]1S,1
[*]CCN1:N:N:C:C:1[*],1
NC1:C:C:C([As](=O)(O)O):C:C:1,1
[*]CC[C@H]1C(=O)C=C[C@H]1[*],1
[*]CCCCCCCC(=O)O,1
OC[C@]1(F)OC(F)[C@@H](O)[C@@H](O)[C@@H]1O,1
[*]SC1:N:C([*]):C:C(O):N:1,1
[*]C(C)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,2
[*]C[C@H]1O[C@@H]([*])C(O)[C@@H]1O,1
[*]O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](/N=C(/C)O)[C@H]1O,2
[*][C@@H]1[C@@H](CO)O[C@@H](O)[C@H](/N=C(/C)O)[C@H]1O,2
[*]N1:C:N:C2:C:1[NH+]=CN[C@H]2O,1
[*]C1:N:C:C:C:C:1O,1
CC1:C:C:C(N):C:C:1C,1
[*]C1:C:C(Cl):S:C:1Cl,1
[*]C1:C:N:C:C(C(=N)O):C:1,1
[*]OC(C(C)/C=C/N(C)CO)[C@H](C)C(=O)CC[C@H](C)[C@H](C[*])OC,1
[*][C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)C2:C:O:C(:N:2)C2:C:O:C(:N:2)C2:C:O:C(:N:2)/C=C/C[C@H](OC)[C@H]1C,1
[*]N1:[NH+]:C([*]):C2:C(N):N:C:N:C:2:1,1
[*]C[C@H](C)C=O,2
C=C[C@@H](O)CCCCC,1
[*]CC(=O)NO,3
[*]CC1:C:C:C(C):C:C:1,2
[*]C(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,2
[*]CCCCCCCCN[*],1
[*]NS(=O)(=O)C1:C:C:C:C2:C([*]):C:C:C:C:1:2,5
[*]SC[C@H](/N=C(\O)CC[C@H](N)C(=O)O)/C(O)=N/CC(=O)O,8
[*]SCCCCCCCC,2
COC1:C:C:C([SH](=O)=O):C:C:1,1
[*]C1:C(F):C:C2:C(=O):C([*]):C:N3:C:2:C:1OC[C@H]3C,1
O=C1C2:C(O):C:C:C:C:2C(=O)C2:C([N+](=O)[O-]):C:C:C(O):C:21,1
[*]C1:C:C:C2:C(:C:1O)C(=O)C1:C(O):C:C:C:C:1C2=O,1
[*]NCC1:C:C(F):C:C:C:1F,1
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[*]C1:C:[NH]:C2:[Se]:C:C:C:1:2,1
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[*]NC1:C:C:C([*]):C2:C:C:C:C:C:1:2,3
[*]OC1:C:C:C([*]):C2:C:C:C:C:C:1:2,3
[*]NC1:C:C([*]):N:N:1[*],5
[*]C(=O)[C@H](O)C(C)(C)CO[*],3
[*]C1:C:N:N(S(C)(=O)=O):C:1,1
[*]C1:C(OC):C:C:C2:C:C:C(C(=N)N):C:C:1:2,1
[*]C(=O)CCCCCCC[*],1
[*]CCC/C=C/C,1
[*]CCCC[*],2
N[C@@H](CS[SeH])C(=O)O,1
[*][C@H]1CCCO1,1
[*]CCN1:C:C:N:C:1,2
NC1([P@@](=O)([O-])O)CC1,1
BrC(Br)Br,1
O=CCC=O,1
NC1:C:C:C:C:C:1CO,1
[*]SC(=O)CC(C)=O,1
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[*][C@@H](C)CCCCC,1
[*]NCC1:C:C:C:N:C:1,3
[*]OCCCN[*],4
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C=CS(=O)(=O)O,1
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CN=N,1
[*]OP(=O)([O-])OP(=O)([O-])O[*],1
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[*]C1N=C(O)C(C)=C1CC,1
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[*]C(CCCCC)CCCCC,1
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[*]N(C)C=O,1
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CC(C)[C@H](N)CO,1
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[*][C@H](CC#CCOC)C(=O)O,1
O=[N+]([O-])C1:C:C:C(O):C:C:1,1
[*][C@@H](CC(=O)O)C(=O)O,2
CCCC[C@@H](N)C(=O)O,1
[*][C@H](C)C(=O)CC,1
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NC1:N:C2:C(:C(=O):[NH]:1)N=C([C@H](O)[C@H](O)CO)CN2,1
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[*]N/C=C(/C#N)C1:N:N:[NH]:N:1,1
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[*]O[C@H]1C[C@](C)([NH3+])[C@@H](O)[C@H](C)O1,1
[*]CC(=[NH2+])O,1
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[*]C1:[NH+]:C([*]):C(F):C(C):C:1F,1
[*]OC1:[NH+]:C([*]):C(F):C(C):C:1F,1
[*]OC1:[NH+]:C(O[*]):C(F):C(C):C:1F,1
CC1:C:C:C:C(C2=C(C3:C:C:C4:N:C:C:C:C:4:N:3)CNN2):N:1,1
[*]C1:C:C:C(O):C(F):C:1,3
[*]NC1:C:C2:C:C:C:N:C:2:C2:N:C:C:C:C:1:2,2
[*]N1:C:C(/C=C/Br):C(=O):[NH]:C:1=O,3
[*]C1:C:C:C:N:C:1O,1
F[Al-](F)(F)F,1
I[Hg]I,1
NC(=[NH2+])C1:C:C2:C:C:C:C:C:2:S:1,1
O[C@@H](CS)[C@@H](O)CS,1
OCC1:C:C:C(F):C:C:1F,1
[*]CC(O)O,1
[*]NC1:C:C:C2:N:C(C):C:C(N):C:2:C:1,1
[*]C1:C:C:C2:N:C(C):C:C(N):C:2:C:1,1
CC[C@@H](N)C(=O)O,1
O[As](O)O,2
[*][C@@H](C)/N=C(\O)[C@]1([S@](C)=O)[C@@H](C)C1(Cl)Cl,1
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[*]CCC[C@@H](C(=O)O)N(O)CO,1
[*]C1:C2:[NH]:C(:C:1C)CC1:[NH]:C(:C(C):C:1[*])CC1:[NH]:C(:C(C):C:1[*])CC1:[NH]:C(:C([*]):C:1C)C2,1
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[*][C@@H](CCSC)C(=O)O,1
[*]C1:C:C(C=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC):C:C([*]):C:1O,1
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C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O,1
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[*]C1:C:C:N:C(CO):N:1,1
[*]N1CCN(S(=O)(=O)N(C)C)CC1,1
O=C1C=CC2:C1:C:C:C:C:2[N+](=O)[O-],1
[*]C1:C:C:C:C(C):N:1,6
[*]C1:N:N2:C(:C:1[*])CCC2,2
OC[C@H](O)[C@H](O)CO,1
[*][C@@]1([*])C[C@@H](O)[C@@H](O)C([*])O1,1
[*]C1OC([*])([*])C[C@@H](O)[C@H]1O,1
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NCCCCCC[C@H](N)C(=O)O,1
CN[C@H](CC(C)C)C(=O)O,1
[*]OC[C@@H]1CS[C@@H]2[C@H](/N=C(\[O-])CCCC[C@H](/N=C(\O)CN)C(=O)O)C(=O)N2[C@@H]1[*],1
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SCC1:C:C:C:N:C:1,1
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[*]C[C@@H](O)[C@@H](O)/C(O)=N/O,1
[*]N1:C:N:C2:C:1NCN[C@H]2[NH3+],1
N[C@H](CC=O)C(=O)O,1
[*][C@@H]1CO1,3
CC1(C)[C@H]2CC[C@]1(C)CC2,1
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[*]C[C@@H](O)[C@@H](O)[C@H](O)CCO,1
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[*]C1:[NH]:C(C):C([*]):C:1[*],1
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C1:C:C:C2:[NH]:C:C:C:2:C:1,1
CC1:C:C:C(O):C(N):C:1,1
O=[N+]([O-])C1:C:C:C2:[NH]:N:C:C:2:C:1,1
C[C@H](C(=O)O)[C@H](N)C(=O)O,1
[*][NH2+]CP(=O)(O)O,1
O=C1NCC(=O)N2CCC[C@@H]12,1
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[*][C@@H]1C[C@H](O)[C@@H](O)[C@H](O)O1,1
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CCC(=O)C(=O)O,1
[*][C@@H](C)C1:C:C:C:C(O):C:1,1
O=C(O)CCC(=O)CCC(=O)CCC(=O)O,1
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[*]CCF,1
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CN1:C(=O):C:C:C2:C:C:C:C:C:2:1,1
[*][C@@]1(C)N=C(C2:N:C3:C:C:C:C:C:3:C:C:2[*])NC1=O,1
[*]C(N)C(=O)O,1
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OC1:C:C:C:C:C:1Br,1
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[*]NCC1:C:C:C(S(N)(=O)=O):C:C:1,1
[*]C(=O)C1:C:N:[NH]:C:1[*],2
[*]C1:C:C(Cl):C(O):C:C:1O,10
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[*]NC1:N:C:C:C2:O:C(C[*]):N:C:1:2,1
C=C(Br)CCO,1
[*]NCC1:C:C:C(C(=N)N):C:C:1,17
[*]C(=O)[C@H](CCC(=N)N)N[*],1
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[*]N1:C:C(I):C2:C(N):N:C:N:C:2:1,2
NC1:C:C:C:C2:C:N:C:C:C:1:2,1
[*]NS(=O)(=O)CC,3
[*]OC1:C:C:C2:[NH]:C:C([*]):C:2:C:1,1
[*]C(=O)C1:C(Cl):C:C:C:C:1Cl,1
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[*]C(=O)C1:C:C:C2:N:C([*]):C:N:2:C:1,1
[*]NC1:C:N2:C:C([*]):C:C:C:2:N:1,1
[*]NC1:C:N2:C:C(C([*])=O):C:C:C:2:N:1,1
[*]C1:C:C2:[NH]:C3:C:C:C(O):C:C:3:C:2:C2:C:1C(=O)NC2=O,1
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[*]C(=O)[C@@H]1C[C@H](O[*])CN1[*],1
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[*]NC1:C:C:N:C2:C:C:C:C:C:1:2,1
[*]CCCCCCCC[NH3+],1
[*]NC1:C2:C(:[NH+]:C3:C:C:C:C:C:1:3)CCCC2,1
[*]C1(N)CCCC1,1
[*]C(=O)OCC[*],3
[*]N[C@@H](C[*])[C@@H](O)C[*],2
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[*][C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O,1
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