0 B11R1.189 COC1=CC(CC=O)=CC=C1 9995AB [1,0,0,0,0,0|1,0,0]=2 1 B11R1.189 N#CC1=CC=CC(CC=O)=C1 1836AA [1,0,0,0,0,0|3,0,0]=4 2 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [1,0,0,0,0,0|2,0,1]=4 3 B11R1.280 CCC1=CC(C=O)=C(O)C=C1 7392AB [1,0,0,0,0,0|2,0,1]=4 4 B11R1.280 COC1=C(C)C=NC(C=O)=C1 6706AC [1,0,0,0,0,0|3,0,0]=4 5 B11R1.280 COC1=C(N)C=CC(CO)=C1 7393AA [1,0,0,0,0,0|2,0,0]=3 6 B11R1.280 COC1=CC(C=O)=CN=C1F Y3970 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.280 COC1=CC(CCl)=CC=C1F W5074 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=CC=C(Cl)C(OC)=C1 8452AE [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=CC=C(O)C(OC)=N1 Z1004 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 CSC1=CC(C=O)=CC=C1F Z0020 [1,0,0,0,0,0|2,1,0]=4 11 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Cl 6562AA [0,1,0,0,0,0|2,0,0]=3 12 B13R1.384 CCOC1=C(O)C=CC(CC#N)=C1 6963AD [0,1,0,0,0,0|1,0,1]=3 13 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 8545AC [0,1,0,0,0,0|1,0,0]=2 14 B13R1.386 COC1=CC=C(CC=O)C=C1OC 8364AB [0,1,0,0,0,0|1,0,0]=2 15 B13R2.121 COC1=C2C=CNC2=NC=C1Cl 7551AC [0,0,0,1,0,0|3,0,0]=4 16 B13R2.449 N#CCC1=CC2=C(C=C1)CCO2 1672AA [0,0,0,1,0,0|2,0,1]=4 17 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 5304AD [0,0,0,1,0,0|1,0,1]=3 18 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 6478AE [0,0,0,1,0,0|1,0,1]=3 19 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 5576AC [0,0,0,1,0,0|2,0,0]=3 20 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 3381AB [0,0,0,1,0,0|2,0,1]=4 21 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [2,0,0,0,0,0|0,0,0]=2 22 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [2,0,0,0,0,0|0,0,0]=2 23 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [2,0,0,0,0,0|1,0,0]=3 24 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [2,0,0,0,0,0|2,0,0]=4 26 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [2,0,0,0,0,0|2,0,0]=4 27 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.172 C=CC1=CC=CC(C=O)=C1 0260AB [2,0,0,0,0,0|2,0,0]=4 29 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [2,0,0,0,0,0|1,0,0]=3 30 B10R1.172 CCC1=CC=CC(SC)=C1 Z0769 [2,0,0,0,0,0|0,1,1]=4 31 B10R1.172 COC1=CC(CCl)=NC=C1 6991AC [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CC=CC(CN)=N1 6563AC [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [2,0,0,0,0,0|0,0,1]=3 36 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.176 NCC1=CC=C(N)C(O)=C1 1512AJ [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [2,0,0,0,0,0|2,0,0]=4 39 B10R1.30 COC1=CC(C)=CN=C1F Y3762 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.41 COC1=CC(CC#N)=CC(C)=C1 0297AB [1,1,0,0,0,0|1,0,1]=4 41 B12R1.270 COCC1=CC(OC)=CC=C1Br Z1148 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.279 C=CCC1=CC=CC(C(=O)O)=C1 8425AC [1,1,0,0,0,0|2,0,0]=4 43 B12R1.280 C=CCC1=C(O)C(C=O)=CC=C1 X4650 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.280 C=CCC1=C(O)C(OC)=CC=C1 5688AF [1,1,0,0,0,0|0,0,0]=2 45 B12R1.382 C=CCCC1=CC=CC(OC)=C1 0825AD [1,1,0,0,0,0|0,0,0]=2 46 B12R1.382 COC1=CC(CCC=O)=CC=C1 5343AB [1,1,0,0,0,0|0,0,1]=3 47 B12R1.382 COC1=CC=CC(CCCN)=C1 6272AD [1,1,0,0,0,0|0,0,2]=4 48 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 W7434 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 W7433 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.438 C=C(C)CC1=CC(OC)=CC=C1 8104AE [1,1,0,0,0,0|0,0,0]=2 51 B12R1.438 COC1=CC(CC(=O)O)=CC=N1 6367AB [1,1,0,0,0,0|2,0,0]=4 52 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 7468AH [1,1,0,0,0,0|2,0,0]=4 53 B12R1.288 COC1=C(C)C=C(CCN)C=C1 6092AD [1,1,0,0,0,0|1,0,1]=4 54 B12R1.56 CCC1=CC(C(C)=O)=CC=C1O 1456AB [1,1,0,0,0,0|1,0,1]=4 55 B12R1.78 COC1=C(OC)N=C(CN)C=C1 2056AA [1,1,0,0,0,0|2,0,0]=4 56 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9117AC [1,1,0,0,0,0|2,0,0]=4 57 B12R1.78 COC1=CC=C(NN)C=C1OC Z2663 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 L430 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 3219AH [0,2,0,0,0,0|1,0,0]=3 60 B14R1.3651 COC1=C(OC)C=C(NC(C)=S)C=C1 3631AL [0,2,0,0,0,0|1,0,1]=4 61 B14R1.3651 COC1=CC=C(C[C@H](C)O)C=C1OC W3494 [0,2,0,0,0,0|0,0,2]=4 62 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 7333AE [0,2,0,0,0,0|0,0,2]=4 63 B14R1.793 COC1=CC=C(\C=C\CO)C=C1OC 9210AF [0,2,0,0,0,0|0,0,2]=4 64 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 9265AB [0,2,0,0,0,0|1,0,1]=4 65 B14R1.42 COC1=CC(CCC(C)O)=CC=C1O Y8993 [0,2,0,0,0,0|0,0,2]=4 66 B12R2.315 COC1=CC=CC2=C1SC=C2 4625AC [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 Y6346 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 2875AB [1,0,0,1,0,0|2,0,0]=4 69 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 1461AJ [0,1,0,1,0,0|1,0,1]=4 70 B14R2.1008 CN(C)CC1=CC=C2OCOC2=C1 8765AB [0,1,0,1,0,0|1,0,1]=4 71 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 7630AA [0,1,0,1,0,0|2,0,0]=4 72 B14R2.112 C=CCC1=CC=C2OCCOC2=C1 6019AE [0,1,0,1,0,0|0,0,0]=2 73 B14R2.1128 COC1=C(O)C=C2C=CC=CC2=C1 V5678 [0,1,0,1,0,0|0,0,1]=3 74 B14R2.1128 COC1=C(O)C=C2CNCCC2=C1 3033AL [0,1,0,1,0,0|0,0,2]=4 75 B14R2.1128 COC1=CC2=C(C=C1O)CCNC2 Y6784 [0,1,0,1,0,0|0,0,2]=4 76 B14R2.1416 COC1=C(O)C=C2C(=O)CCC2=C1 3030AL [0,1,0,1,0,0|0,0,1]=3