0 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [0,0,0,0,0,0|3,0,1]=4 1 B11R1.12 COC(OC)C1CC=CCC1 1748AC [0,0,0,0,0,0|0,0,4]=4 2 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [1,0,0,0,0,0|2,0,0]=3 3 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [1,0,0,0,0,0|3,0,0]=4 6 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 5736AF [0,1,0,0,0,0|3,0,0]=4 7 B12R1.13 CCN(CC)C1=CC=CC(N)=C1 2380AB [0,1,0,0,0,0|3,0,0]=4 8 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 H642 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.478 CCN(C(C)=O)C1=CC=CC=C1 5694AF [0,1,0,0,0,0|3,0,0]=4 10 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 1172AL [0,1,0,0,0,0|3,0,0]=4 11 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 1255AL [0,1,0,0,0,0|3,0,0]=4 12 B12R2.2 C1=CC(C2CCCN2)=CC=N1 Y7383 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.2 C1=CN=C(C2CCCN2)C=C1 Y8319 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.6 CC(C)C1=NC=CN=C1 R572 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [2,0,0,0,0,0|1,0,0]=3 16 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [2,0,0,0,0,0|2,0,0]=4 17 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|1,0,1]=4 20 B9R1.8 CCCC1=CN=CC=C1 6392AB [2,0,0,0,0,0|2,0,0]=4 21 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 7791AL [1,1,0,0,0,0|2,0,0]=4 23 B11R1.23 CC1=CC(C(O)CN)=CC=C1 0300AA [1,1,0,0,0,0|2,0,0]=4 24 B11R1.23 NCC(O)C1=CC=CC(F)=C1 3119AC [1,1,0,0,0,0|2,0,0]=4 25 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 2970AH [1,1,0,0,0,0|2,0,0]=4 26 B11R1.23 NC[C@H](O)C1=CC(Cl)=CC=C1 3951AA [1,1,0,0,0,0|2,0,0]=4 27 B11R1.36 CC(C)[C@@H](O)C1=CC=CC=C1 N106 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7885 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [1,1,0,0,0,0|2,0,0]=4 30 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 3166AC [1,1,0,0,0,0|2,0,0]=4 31 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 6826AC [1,1,0,0,0,0|2,0,0]=4 32 B13R1.86 COC(OC)C(C)C1=CC=CC=C1 5884AF [0,1,0,0,0,1|0,0,0]=2 33 B13R1.331 COC(CO)C1=CC=C(O)C(O)=C1 W2006 [0,2,0,0,0,0|2,0,0]=4 34 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,1,0,0|1,0,1]=4 35 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [1,0,0,1,0,0|2,0,0]=4 36 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,1,0,0|1,0,0]=3 37 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 4694AJ [1,0,0,1,0,0|2,0,0]=4 38 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8372AH [1,0,0,1,0,0|2,0,0]=4 39 B13R2.3 C1=CC(C2CNCCO2)=CN=C1 9338AJ [0,1,0,1,0,0|2,0,0]=4 40 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 1942AE [0,1,0,1,0,0|2,0,0]=4 41 B13R2.3 C1=CN=CC(C2COCCN2)=C1 5241AH [0,1,0,1,0,0|2,0,0]=4 42 B13R2.15 N[C@H]1CCC[C@H]1C2=CC=CC=C2 5385AB [0,1,0,1,0,0|2,0,0]=4 43 B13R2.12 NC1=CC=C(C2OCCO2)C=C1 V4038 [0,1,0,1,0,0|0,0,0]=2 44 B13R2.12 OC1=CC=C(C2SCCS2)C=C1 7540AD [0,1,0,1,0,0|0,2,0]=4 45 B13R2.13 BrC1=CC(C2CCCN2)=CC=C1 4942AB [0,1,0,1,0,0|2,0,0]=4 46 B13R2.18 BrC1=CC=CC=C1C2=NCCO2 Y6268 [0,1,0,1,0,0|1,0,1]=4