0 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 8545AC [0,0,0,0,0,0|1,0,0]=1 1 B13R1.386 COC1=C(OC)N=CC(\C=N\O)=C1 9118AC [0,0,0,0,0,0|3,0,1]=4 2 B13R1.386 COC1=CC=C(CC=O)C=C1OC 8364AB [0,0,0,0,0,0|1,0,0]=1 3 B12R1.78 COC1=C(OC)N=C(CN)C=C1 2056AA [1,0,0,0,0,0|2,0,0]=3 4 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9117AC [1,0,0,0,0,0|2,0,0]=3 5 B12R1.78 COC1=CC=C(NN)C=C1OC Z2663 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.288 CNCC1=CC=C(OC)C(Br)=C1 8628AH [1,0,0,0,0,0|2,0,1]=4 7 B12R1.288 CNCC1=CC=C(OC)C(Br)=C1 8629AH [1,0,0,0,0,0|2,0,1]=4 8 B12R1.288 COC1=C(Br)C=C(CCN)C=C1 5058AD [1,0,0,0,0,0|2,0,1]=4 9 B12R1.288 COC1=C(C)C=C(CCN)C=C1 6092AD [1,0,0,0,0,0|1,0,1]=3 10 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 7333AE [0,1,0,0,0,0|0,0,2]=3 11 B14R1.793 COC1=CC=C(\C=C\CO)C=C1OC 9210AF [0,1,0,0,0,0|0,0,2]=3 12 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 3219AH [0,1,0,0,0,0|1,0,0]=2 13 B14R1.3651 COC1=C(OC)C=C(NC(C)=S)C=C1 3631AL [0,1,0,0,0,0|1,0,1]=3 14 B14R1.3651 COC1=CC=C(C[C@H](C)O)C=C1OC W3494 [0,1,0,0,0,0|0,0,2]=3 15 B14R2.112 C=CCC1=CC=C2OCCOC2=C1 6019AE [0,0,0,1,0,0|0,0,0]=1 16 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [2,0,0,0,0,0|2,0,0]=4 17 B11R1.37 COC1=C(OC)N=CC(N)=C1 Y3263 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.37 COC1=CN=C(N)C=C1OC 2577AJ [2,0,0,0,0,0|2,0,0]=4 19 B11R1.279 COC1=C(N)C=C(CN)C=C1 2974AJ [2,0,0,0,0,0|2,0,0]=4 20 B11R1.279 COC1=CC=C(C=O)C=C1N W5672 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.279 COC1=CC=C(CCl)C=C1C 9079AB [2,0,0,0,0,0|1,0,0]=3 22 B11R1.279 COC1=CC=C(CN)C=C1N 2973AJ [2,0,0,0,0,0|2,0,0]=4 23 B11R1.280 COC1=C(C)C=NC(C=O)=C1 6706AC [2,0,0,0,0,0|2,0,0]=4 24 B11R1.280 COC1=C(N)C=CC(CO)=C1 7393AA [2,0,0,0,0,0|2,0,0]=4 25 B11R1.280 COC1=CC(CCl)=CC=C1F W5074 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.189 COC1=CC(CC=O)=CC=C1 9995AB [2,0,0,0,0,0|1,0,0]=3 27 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [2,0,0,0,0,0|1,0,1]=4 28 B13R1.434 COC1=C(OC)C(Cl)=CC(C#N)=C1 1095AQ [1,1,0,0,0,0|1,0,1]=4 29 B13R1.434 COC1=C(OC)C(Cl)=CC(C=O)=C1 9577AA [1,1,0,0,0,0|1,0,0]=3 30 B13R1.2200 COC1=C(OC)C=C(C=O)C(C)=C1 9534AE [1,1,0,0,0,0|1,0,0]=3 31 B13R1.2200 COC1=CC(N)=C(OC)C=C1OC 2378AB [1,1,0,0,0,0|1,0,1]=4 32 B13R1.3091 COC1=CC=C(C(C)=O)N=C1OC 0878AD [1,1,0,0,0,0|1,0,1]=4 33 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Cl 6562AA [1,1,0,0,0,0|2,0,0]=4 34 B13R1.384 CCOC1=C(O)C=CC(CC#N)=C1 6963AD [1,1,0,0,0,0|1,0,1]=4 35 B13R1.577 COC1=CC=C(CCCO)C=C1O W2094 [1,1,0,0,0,0|0,0,2]=4 36 B13R1.1254 COC1=CC=C(CC#N)C(C)=C1C 7012AD [1,1,0,0,0,0|1,0,1]=4 37 B15R1.12854 COC1=CC=C(CNC(N)=O)C=C1OC 7511AE [0,2,0,0,0,0|1,0,0]=3 38 B15R1.3705 COC1=CC(CCO)=CC(OC)=C1OC 4837AB [0,2,0,0,0,0|1,0,1]=4 39 B15R1.594 COC1=CC(CC#N)=CC=C1OC(C)=O W6862 [0,2,0,0,0,0|1,0,1]=4 40 B15R1.27356 C\C=C/C1=C(OC)C=C(OC)C(OC)=C1 L986 [0,2,0,0,0,0|0,0,2]=4 41 B13R2.57 NCC1=CC2=C(C=C1)OCCN2 3885AJ [1,0,0,1,0,0|2,0,0]=4 42 B13R2.57 OCC1=CC=C2OCCOC2=N1 9238AB [1,0,0,1,0,0|2,0,0]=4 43 B13R2.57 OCC1=CN=C2OCCOC2=C1 Y3128 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.57 OCC1=NC=C2OCCOC2=C1 6115AB [1,0,0,1,0,0|2,0,0]=4 45 B13R2.449 N#CCC1=CC2=C(C=C1)CCO2 1672AA [1,0,0,1,0,0|1,0,1]=4 46 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 5304AD [1,0,0,1,0,0|1,0,1]=4 47 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 6478AE [1,0,0,1,0,0|1,0,1]=4 48 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 5576AC [1,0,0,1,0,0|2,0,0]=4 49 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 3381AB [1,0,0,1,0,0|1,0,1]=4 50 B15R2.117 COC1=C(OC)C=C2NCCCC2=C1 7027AC [0,1,0,1,0,0|0,0,2]=4 51 B15R2.117 COC1=CC2=C(C=C1OC)CCN=C2 Z4613 [0,1,0,1,0,0|0,0,1]=3 52 B15R2.2115 COC1=C(OC)C2=C(C=C1)CCNC2 7710AA [0,1,0,1,0,0|0,0,2]=4 53 B15R2.3136 COC1=CC=C2CNC(=O)C2=C1OC 3381AJ [0,1,0,1,0,0|1,0,0]=3 54 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 7530AA [0,1,0,1,0,0|0,0,1]=3 55 B15R2.2035 COC1=C(OC)C=C2CC(N)CC2=C1 0316AF [0,1,0,1,0,0|0,0,2]=4 56 B15R2.10338 NCCC1=CC2=C(C=C1)OCCCO2 8628AC [0,1,0,1,0,0|1,0,1]=4 57 B15R3.4266 C1=NC2=CC3=C(C=C2N1)OCCO3 0961AE [0,0,0,2,0,0|2,0,0]=4