Smiles Endpoints Reference HTML

SMILES Endpoints Reference html
[F]C([F])([Cl])CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j

C[C@@]1([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)NCCCN1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC([Br])(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)NC[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N/C2=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N/C1=N/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCCC([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)[S]C[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@](C)(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34C[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=N/C=1N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C4=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(NCCN1CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](N)([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)OCC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13CC[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)[C@@]3BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)N(/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]1([F])C
BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC[C@@]1([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C3=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3CC[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)NCCN1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](O)([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[S](=O)(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CN1C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC5(CC)O[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]5(O[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)O[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=CC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CCCCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1CCC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)(=O)CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC(=O)N3CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](N)([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C1=CN= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)(C)O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C=C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C=1OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCNC(=O)C4 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CCC1=CC=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@](O)([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)O/C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C2=C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1[C@@]2([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1(=O)[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)CNC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C=C(C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(/C1=C/C=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1NCCN1[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]13C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C3CNCC2=CC1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(CC/C2=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CCO)CCN2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(CC)C(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CCC(=O)N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC[C@@]1([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(C)CC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCOCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(N(C/C1=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2C/N=C(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)(=O)CC/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C(C/C2=C/N(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(=O)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC/C1=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CCC1=CC([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2C[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CCCC[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC/C1=C/C=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)NCCC[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1CCN(CC1)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]24CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1(C)OC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Br]/C3=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Br]C([Br])([Br]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2(CCN(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C([Br] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Br]/C1=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=N/N=C4C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=N/C=1N( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C4=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]12CC[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])(NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCOC(=O)NCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(=O)C4= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC[C@@]([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C4=C/C=C3CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC(=O)N(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)O[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1(C)[C@@]2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC/C(=N/OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC[S]/C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](C)([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)N2C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC1(CCOCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)CN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)O[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CN2CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C4=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[S](=O)(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2([H])OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC/C1=C(/N=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1/C=C(/C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)C1=CC=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)OCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(O)([H])C([ClBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@](O)([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@]([H])(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN/C2=N/C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)CC[S]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C([Cl])([Cl] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C2=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)CC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NNCC1([H])C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC[C@@]1([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C(/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]3([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)CNC1(
CC5(C)O[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCC3=C(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(N) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)CC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(=O)O[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)[C@@]4BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCCN2C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCOC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2(CCN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1N=C[S]C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CC/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13C=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C([Cl])([Cl BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(CCCO/C1=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1)[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C2=C/C=1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)CCN4C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]4([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]12CCC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)CC[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N/C1=C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[C@@]3 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(C(=O)N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([F BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]12C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCOC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C=C(C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@](/C1=NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCCCO/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C=C(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCN2C(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=N/C=C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]5([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]2(CNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]1(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]1(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)CC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C[Cl] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCNC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCOC[C@@]( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C=C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CC[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1(C)OC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN1C=N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2CN1C(=O)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCC[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCOC([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)NNC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]12CC[
CCC=2C(OC)= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13N[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C4=C/C=3CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C4=C/C=C(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN2C[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC[C@@]([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(CN1CCCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)N(/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C(=C/C)C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=N/N(C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC/C=C2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[S](=O)(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CN(CCN1)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(CC)(CNC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)(CC)OCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N(C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([H])O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCNC(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCN1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN/C2=N/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO[C@@]2([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C2=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](O)(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCNC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC1(CCCCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN/C2=N/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)[S](= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCOCCOCCN1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C3=N/N(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(OC[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C3=C/C=C2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCC([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCCN2CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC=2C(OC)= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CC[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCOC[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OCC([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN[C@@]2([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC/N=C(/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CC(=O)N=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN/C1=N/C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)C[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1N=C(/N=C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)NC[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S](=O)(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N(CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(CN1C=NC=N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C(=O)NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1)CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC([H])(OC) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCOC(=O)C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCC(=O)OCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC[C@@]([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCC(=O)O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCO[C@@]4([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)NCCN1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCN2C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN3C(=O)CN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H])( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N2CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCCCC/C(=N/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)N1CC([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C3=N/C(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[P](C)(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NNC(=O)C[P]( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]1([H])OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[P](O)(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN1CCN(CC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC1(CCCCC1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C1=N/OC=2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC/C3=C(/N=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC3(C)CC(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCCC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([F])[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CC[C@@]12 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC[C@@](N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OC1(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCCN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](C)(OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(CO)[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)O[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC(=O)O[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]([Br])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(/C=C/C2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN5CCN(CCN4CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN1CCNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)(=O)CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]1(O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NNCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]/C1=C(/[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3N(CCCCNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C(=NOBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]5([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]1(CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C(=O)CN1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C1(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/N=C(C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C=3C=NN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3N(/C1=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC/C=C2/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)N(/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(CCCN2C1=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N1CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)CNC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)O[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C1=CC([F] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2(N1CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCC(=O)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=N/C1=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)N[C@@](
CCCC(=O)OCC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CC/N=C(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]12CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCCC[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C[C@@]([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@](C)([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN(C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC#C[C@@](C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC([F])([F])C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C[C@@]12C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](C)(OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S](=O)(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=N/C=C(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN/C1=N/C([ClBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN3C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C(NC1(C(
CCCCCNCC(N)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/N=C/C1=C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C(=N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO[C@@]4([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN3C1=NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C[S](= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCCN2C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]2(CC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C6=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCN2C(=O)C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)O[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C(=N/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCCCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC[C@@](C
CCCCCCC(C)(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(CN1C=CNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)=CCN3CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(C/C2=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C3C/N=C(/C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C3=N/N(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(CCNNC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C=C/[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N1CCOCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C1=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCC[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)C/N=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=N)C1=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34CC=2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC/C=C(/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCCN/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]CC([F])([F]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC/C=C2/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO/N= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=2N=C1C(C)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(/C1=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC/C=C3/C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=N/C=C(/NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)N2C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2NC1=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CN1C[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]([H])( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=C/C(OC[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N[C@@]1(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(CC#C)C/C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]3(CCN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])(OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCN[C@@]1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCC1(CO)COC([H
C1CN(CCN1)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN1C[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C4N(CCCCN1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H])(OC
NC(=O)NC(=O)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO/C1=C/C=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)C[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C1=C/C=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1NC(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)O/C3=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N1CCN(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]1(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCC[C@@]4([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)[C@@]2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H]C1(CCNCC1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)C4=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(C(=O)OCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C2=C(/C)N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CN1CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C1(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C4=C/C=C3NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2NC(=O)[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)O[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)CC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1CCC(C1) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNNC/C1=C/C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN(CCCN2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@](O)([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CCC/N=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C1( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCOC(=O)C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](O)([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](O)([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC/C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C2=CC=C1OC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=N/C=C(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCOCCN1CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CC[C@@]3BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN2C[C@@]( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N#CCN[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](C/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N/C2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN2/N=C(/C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=2N=C1CCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(C)C(=O)OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C1=C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])OC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CCN=C2CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CC[C@@]( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C(=O)C[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/N=C(/C#N) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@]2([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C1=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C1=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCN1CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(=O)N(C)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N#C/C4=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCCN3CC[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]COC([H])(C([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C(/C1=C/C=NCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)(C)C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C(NC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)C/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C(=C/CCN1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[S](=O)(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C=C(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1ON=C(C=1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]CC[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CCC(=O)NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)N1CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2/N=C(/C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCC[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCC[C@@]1( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN5C(=O)N(C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC/C1=C(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN2C1=C(CC[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3N(CCCCN1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=N/C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C5=N/C(C)= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCC[S]/C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN1CCN(CC1) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Br][C@@]([F])(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCC[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1NCCN[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN1CCC(=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3NC(=O)[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C=NC=2N(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=CC[C@@]1(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S](=O)(=O)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN1C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[S]/C4=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCCN4C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN(CCCN2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]/C4=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN(CC/C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C1=NC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C=C[S]C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C1=CC=CC= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCC=3NC2= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[S]=C2NCC[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CCN2C1=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C([Cl] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]C(=O)[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[S](=O)(=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[S]/C1=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2C[C@@]1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[S][C@@]3( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C=1C[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCO[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C/C=C
CC[C@@]3(O)CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C(C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCC(=O)CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCN/C1=C(/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC5(C)O[C@@]4BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]1([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCC([Br])([Br])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C=C(/[Cl]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H])(NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[P](O)(=O)OCC
CC5(C)O[C@@]4BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C3=C/C(NCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C(=N/O)C3 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(N)=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(CCC)(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC([H])(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=C1/C(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=COC=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCCN4CCN(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3N(CCCCN1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC3(C)CN(CCNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO/C2=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN[C@@]([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(=O)N/C1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]7(O)CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC2(C)[S][C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC[C@@](O)(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C=CCBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]14CCC( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC[C@@](O)([BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=N)NC(=O)BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC=2OC1=C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]2([H]) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[C@@]3(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]3([H])BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC[C@@](O)(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(=O)C[C@@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C5=C/C=C(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]2([H])BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]3([H])BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]1([H])NBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)O[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC[C@@]3([H])BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]([H])( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])CO BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](C/C1=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)NC[C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OC[C@@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]([H])(CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C[S][C@@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1N=N/N=C1/BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C4=N/N=C(/[BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1N=N/N=C1/[BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C4=N/N=C(/[BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C4=N/N=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](N)([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCC=1C[S][CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C(=C[ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/N=C(/C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/N=C(/C(=O)BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C1=C(CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1N=N/N=C1/BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]1(NC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H])( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN5CCN(C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC/C1=C/C=C/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN1N=N BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C(O)= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCC=1C[S][CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C=C/C=1C[S BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC=1C[S][C@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C1=C(CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(=O)BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCC=1CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)COCCN1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCC[CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(NCC[S]C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]1([H]
BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]1([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])N= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=2O/N=C(/C1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C3=C/C=2CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])[C@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC([H])(OC BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]1([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)O[C@@]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN(CCO)C4BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]4([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)O[C@@]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C2=C/C= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC/C1=C/C=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]([H]) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1/C=C(/C( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]1([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)O[C@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)CCC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34CC[CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C(O)=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC4(C)[S][C@@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1)CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](O)([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C[ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]12C[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@](C)([ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C(=O) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)NC(= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](C)([ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N1CCN(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1OC(=O)OCBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC[C@@](O)(
N[C@@]([H])(CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[C@@]1([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC/C1=N/C(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](O)([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCOC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCC(=O)O[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)O[C@@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC[C@@]1([
CO[C@@]14N(C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C(/O)C= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN[C@@]2([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC(=O)C2=C(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC(=O)C1=C(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC[C@@](O)([BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)O[C@@] BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)OCOC(=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN4CCN(C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C=NN(C=1CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NC BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(C)=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C1=NCBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(=O)BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)NC(= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCOC(=O)[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCOC(=O)[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](O)([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]3(CN1C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC(=O)[C@@] BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C(=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C1=C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C(=O)N(C) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1(C)N(O[S] BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C(C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC[C@@]3([BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C1 BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]([H])BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])[C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C2=C/C=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCCN2C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)C4=CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C/C3=N/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=CCC1(CC=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C=2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=N/N=C4CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]23CC1(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN2/C=C(/C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@](N)([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(CCC(C)( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN3C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N2CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)C([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C3= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N#C/C1=C/C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N1CCN(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]2(C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(O[C@@]1(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC[C@@]13CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(/C1=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](O)([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCCCO/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN(C)NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Br]C(=C)CC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN3N=NN(CCN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C([B BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCCCCC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)N1CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2CC1(CCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCNC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)NN[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)N[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC([Br])(CC) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCN/C1=C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[C@@](C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1)[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)C([Cl])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13C=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OC[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CC[C@@]2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2(C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(CCOC([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO/C1=C/C(NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC(=O)C=C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCC[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3C(=O)CN2CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=N/C=C4C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCC[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCC(CC1)=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCCCC/C(=N/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(C(=O)C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2/N=C(/N[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]1([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CCCC3=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C/C2=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCC(CC1) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[C@@]([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(C)=NC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCO/N=C2/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCCN2C1=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)N1CC([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13CCCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)O[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCN2C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CC[C@@]2(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)CC[S]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C3=C/C=C1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CCN2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)CNCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)C(=[S]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CN2C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN2C(=O)[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1NCNC1(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)CN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3/C=C(/CCNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CC[C@@]2( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C1=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(C(=O)N( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OC1(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1C(=O)N[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[Cl] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C3=C/C=2CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](N)([ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CCC(=O)N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C1=C/C=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCCN2/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[C@@]3(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)C/N=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34C[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCOC(=O)C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCC[S]/C2=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([F]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=N)NCCCOBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([F] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CC[C@@](BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)NC(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCCN(CC1)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCCN(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(=O)O[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](O)( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCOCCN1CCN(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(NCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H]C1(CCNCC1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC#C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C(/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C3=C/C=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]([H])(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC[C@@](O)(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO[C@@]1([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H]C1(CCNCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1[C@@]([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C(=C/N1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4C[C@@]3([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])O/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(NCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=C/C(CCNBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC(C)(COC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC[C@@]3([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C(C)= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(N( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C(C[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1(C)NC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)C[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC(=O)[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)O[C@@
COC(=O)C1=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCCN2CC1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=N/C=C4CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C4=C/C=3NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(N(/C1=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=N/C=C/NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC(CC/C1=C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C2=C(/C)N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)CC1( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC[C@@]2([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CCO[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN/C1=C/C(OCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3C/N=C(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C(CC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCC(=O)N(/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2CCC1=CC([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN4CCN(CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C4=C/C=3NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]1(C)OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)N/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)CN1C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCC[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C2CCN1N=NN=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)O[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CCN(CC1)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NNCC/C1=C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)OCCC/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)[C@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)[S](=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C4OC3=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C1/C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCNC(=O)N1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(=O)C3=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCOC(=O)C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN1CCC[C@@BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC1(CC)C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C1=C/C=C/CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C(=O)C[S]/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C3N(CCCN1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=N/C1=C/C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC([F])([F])[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CCC2([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C2=CN(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(/C2=N/C1= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC[C@@]([H])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@]2([H])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=2N=C1[S]CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCN(CC1)C2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2NCN(/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=[S])C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C(N[S]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)([S](=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1CCCC[C@@] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1NCCC[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C(=O)[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[H][C@@]1(OCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN4CCC=3NC2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN[C@@]1(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]C(=O)[C@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCC1(C)CO[BBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)CC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=N/N=C4CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O/C1=C/C=C(/NC
CN2C(=O)CC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H])(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4CCN(CCCN2BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]2(CCN(C
CN1C(=O)OC(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C(C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]([H]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C4=C/C=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C1=C/C=C(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCNC(=O)OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(CC)(CC=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C=C(/C)C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCO/C1=N BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(C(C)=O)CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C/C=C(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=N/N(C)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC3(C)[S][C@@
CC(=O)[C@@]5BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC[C@@](O)(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C4=N/N=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C=C(/C(=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C[S][C@@]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)C4=C(OBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]([H])(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1ON=C(C=1CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCNC[C@@](O) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C1 BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1ON=C(C=1CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN(CC)CC(=OBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C/C2=C/N=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN[C@@](C)([ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO/C2=C/C=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C1=CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCO[C@@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=2O/N=C(/CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCNC[C@@](O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C(=C(/C1= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC3(C)[S][C@@
NC(N)=NC=1[SBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=N(=O)C=1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C(C)=CC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(N)=N/C1=NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(C)NCCCOBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(NCCCOC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCCOC=2C=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CN(CCC1)C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CN(CCC1)C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CN(CCC1)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)CC/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCC=1C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CCC=1C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCCC=1[S]C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[S]=C(N[C@@]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(NCC[S]C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC([Cl])([Cl])[CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CC([F])([F])BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C=1C=CC=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)(C)C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])CCCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)C([F])(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(O)[H] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)([H])CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C=1C=CC=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C4=C/C2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C4=C/C2 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2N(C)C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COC=2C=C1CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC=2C=C/C=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCCN1N=CC2=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]/C2=C/C=1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C3=N/C(N[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC[S]/C2=C/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC=1NC=NC2=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C2=C(C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC=3OC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1=CC=CC=C1BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)OC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C=1C=CC( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S](=O)(=O)O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCC(C)=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN1C=NC=2N(C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)N3C=1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CCNC(=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C([Cl BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1C=CN(C) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1C=CC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCN1C=CC(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCN1C=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCN1C=CCBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN1C=CC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CCCCC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]1([H] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC=1C=CN(C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)N=NC=1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCCCN3C=1C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNCCCN3C=1CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCO BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C1=C/C(=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C1=C/C=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N=C(N)N/C1=N/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)C=1NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(O)[P](=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(OCCC)N2C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
ONC(N)=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C/C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)C/C1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NNC(=O)C1=C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])C= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]CCN(N=O) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]([H])(CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC1([H])CCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
COCC/C1=C/C=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=C/C=NC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C=3C=CC= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C=3C=CC= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]C=4C=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=N/C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]C=1C=C3C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC=1C=CC=C4BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=CC[C@@](N)BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN4C[C@@]3([BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1C2=C(NC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@]1([H]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CC[C@@]2( BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCCC1([H])C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO[C@@]([H])(BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C1CN(C[C@@ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCO BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=C(/ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C1=CN BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC/C1=N/C(N)=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=C[C@@]1([HBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(=O)C=1N=CBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN3CC1=C(N=C
O/C4=C/C=C3NBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CNC(=OBBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]([H] BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)CC/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)([H])NC[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/N(C(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C2=N/OC(N[ BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=C1/CCC BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)OC(= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34CC[C BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[S]=[P](N1CC1 BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C1=CC=CC= BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/N=C(/NCC[S]BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C1=C/C=CC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=C([Cl])([Cl]) BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[C@@]1([H])[BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C(=O)C/C1=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(N)=O BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C=NC=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC=1C=CN(C(=BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C1CCN(CC1)C/BBB+ J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC=1OC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N#C/N=C(/NCCBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC(N)=N/C1=NBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC/C2=C/N1 BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCC/C1=N/C(=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)CC=1OC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NCCCNCC[S][PBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=C/C=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C2/C(=C(/O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CCCCCBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C4N[C@@]([BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C1=N/C(=NNBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCC(C)(CO)C=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[Cl]/C1=C/C( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C(O)=O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)CCC/C1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[S](=O)(=O)C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C3=CN(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]34C[C@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]13CCC( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCN1C=CC(=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCCCN1C=CC BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCCCN1C=CC(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@]1([H]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2C[C@@]([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(C)(C)C1=C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
[F]C([F])([F] BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O[C@@]3([H]) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCOC(=O)[C@@ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)COC=1C=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[S](=O)(=O) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N3CCN(CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(C)N2C[C@@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[S]/C1=C/C= BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(C)N2C[C@@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC(=O)N3CCN(BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(C)N2C[C@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N=C(N)NC[C@BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N[S](=O)(=O)C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C1=C/C=C/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2/C(=C(/O) BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)[C@@]1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCN2/C=C(/C(OBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C(=O)C( BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(C)C/C3=C/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC[C@@](O)([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN2/C(=C(/O)CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC#C[C@@]3(O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(C)(C)C=1O BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
NC[C@@](O)([BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CO/C2=C/C=C1BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
N/C2=C/C=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@](C)([ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CCCN(CCC)[S]BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C=C[C@@]1([HBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CNC(NCC[S]C/BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OC(=O)C1=CC=BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CC[C@@]([H] BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(NCCOC=2C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
O=C(NCCOC=2C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C[C@@]1([H])CBBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
CN(N=O)C(=O)BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
C/C3=C/C=C(/ BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j
OCC(N)(CO)C BBB- J. Chem. Inf http://pubs.acs.org/doi/abs/10.1021/ci100104j

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