0 B10R1.18 C1=CC=NC(=C1)CC(=O)O R0011E [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 C1=CC=C(C=C1)CC#N R0018U [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 C1=CC=NC(=C1)CC#N R0011B [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 C1=CN=CC=C1CC#N R0017Z [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 COCC1=CC=CC=N1 R0011X [1,0,0,0,0,0|3,0,0]=4 5 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl R001AW [0,1,0,0,0,0|0,0,0]=1 6 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl R0010C [0,1,0,0,0,0|1,0,0]=2 7 B11R1.36 CC(C1=CC=CC=C1)C(=O)O R0014U [0,1,0,0,0,0|0,0,0]=1 8 B11R1.40 C1=CC=C(C=C1)C[C@@H](CO)N R000US [0,1,0,0,0,0|1,0,1]=3 9 B11R1.40 C1=CC=C(C=C1)C[C@H](CO)N R000UR [0,1,0,0,0,0|1,0,1]=3 10 B11R1.40 C1=CC=C(C=C1)OC(=O)CBr R000V6 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.40 COC(=O)CC1=CC=CC=N1 R0011F [0,1,0,0,0,0|1,0,0]=2 12 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Cl R001B1 [0,1,0,0,0,0|0,0,0]=1 13 B11R2.10 C1=CC=C2C(=C1)NC(=N2)N R0015S [0,0,0,1,0,0|3,0,0]=4 14 B11R2.10 C1=CC=C2C(=C1)NC(=O)N2 R000YD [0,0,0,1,0,0|2,0,0]=3 15 B9R1.6 B(C1=CC=CC=C1)(O)O R000VC [0,0,0,0,1,0|1,0,1]=3 16 B9R1.6 B(C1=CC=NC=C1)(O)O R000VH [0,0,0,0,1,0|2,0,1]=4 17 B9R1.6 B(C1=CN=CC=C1)(O)O R000VJ [0,0,0,0,1,0|2,0,1]=4 18 B9R1.6 C1=CC(=CN=C1)C(=O)O R00163 [0,0,0,0,1,0|1,0,0]=2 19 B9R1.6 C1=CC=NC(=C1)C(=O)O R000WS [0,0,0,0,1,0|1,0,0]=2 20 B9R1.6 C1=CN=CC=C1C(=O)O R00172 [0,0,0,0,1,0|1,0,0]=2 21 B9R1.6 CC(=O)C1=CC=CC=N1 R0014L [0,0,0,0,1,0|2,0,0]=3 22 B9R1.6 CC(=O)C1=CC=NC=C1 R00186 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.6 CC(=O)C1=CN=CC=C1 R0016Z [0,0,0,0,1,0|2,0,0]=3 24 B9R1.6 C[Si](C)C1=CC=CC=C1 R0017M [0,0,0,0,1,0|2,1,0]=4 25 B8R1.2 C1=CC(=CN=C1)CCl R00167 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 C1=CC=NC(=C1)C=O R000XZ [2,0,0,0,0,0|1,0,0]=3 27 B8R1.2 C1=CC=NC(=C1)CCl R0011I [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 C1=CC=NC(=C1)CO R000W3 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 C1=CN=CC=C1CCl R00181 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 C1=CN=CC=C1CO R00180 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.1 C1=CC(=CC=C1CC#N)Cl R001AU [1,1,0,0,0,0|1,0,1]=4 32 B10R1.1 C1=CC(=CC=C1CCO)Cl R001AV [1,1,0,0,0,0|0,0,1]=3 33 B10R1.4 C1=CC=C(C(=C1)CCO)Cl R001AY [1,1,0,0,0,0|0,0,1]=3 34 B10R1.15 C#CC(C1=CC=CC=C1)O R0018L [1,1,0,0,0,0|1,0,1]=4 35 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)N R000UJ [1,1,0,0,0,0|0,0,1]=3 36 B10R1.15 C1=CC=C(C=C1)[C@H](CO)N R000UK [1,1,0,0,0,0|0,0,1]=3 37 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O R000WF [0,1,0,0,1,0|1,0,1]=4 38 B10R1.13 B(C1=CC=C(C=C1)C)(O)O R000VD [0,1,0,0,1,0|1,0,1]=4 39 B10R1.13 B(C1=CC=C(C=C1)Cl)(O)O R000WB [0,1,0,0,1,0|1,0,1]=4 40 B10R1.13 B(C1=CC=C(C=C1)F)(O)O R000VM [0,1,0,0,1,0|1,0,1]=4 41 B10R1.13 B(C1=CC=C(C=C1)O)(O)O R000W0 [0,1,0,0,1,0|1,0,1]=4 42 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl R000UZ [0,1,0,0,1,0|1,0,1]=4 43 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O R000VY [0,1,0,0,1,0|1,0,1]=4 44 B10R1.13 C1=CC(=NC=C1Br)C(=O)O R001C2 [0,1,0,0,1,0|1,0,0]=3 45 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl R001BS [0,1,0,0,1,0|2,0,0]=4 46 B10R1.13 C1=CC(=NC=C1C(=O)O)Br R001BJ [0,1,0,0,1,0|1,0,0]=3 47 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl R001BI [0,1,0,0,1,0|1,0,0]=3 48 B10R1.13 C1=CC(=O)C=CC1=C(N)S R000SY [0,1,0,0,1,0|1,1,0]=4 49 B10R1.13 C1=CC(=O)NC=C1C(=O)O R001BX [0,1,0,0,1,0|1,0,0]=3 50 B10R1.13 CC1=NC=C(C=C1)C(=O)O R001BL [0,1,0,0,1,0|1,0,0]=3 51 B10R1.61 B(C1=CC=CC=C1Br)(O)O R0010J [0,1,0,0,1,0|1,0,1]=4 52 B10R1.61 B(C1=CC=CC=C1Cl)(O)O R0010I [0,1,0,0,1,0|1,0,1]=4 53 B10R1.61 B(C1=CC=CC=C1F)(O)O R0010G [0,1,0,0,1,0|1,0,1]=4 54 B10R1.61 B(C1=CC=CC=C1O)(O)O R000W5 [0,1,0,0,1,0|1,0,1]=4 55 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O R0011H [0,1,0,0,1,0|1,0,0]=3 56 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl R0011A [0,1,0,0,1,0|2,0,0]=4 57 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O R0010Y [0,1,0,0,1,0|1,0,0]=3 58 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O R0011L [0,1,0,0,1,0|1,0,0]=3 59 B10R1.61 C1=CC=C(C(=C1)[N+](=O)[O-])Cl R000UW [0,1,0,0,1,0|1,0,1]=4 60 B10R1.61 C1=CN=CC(=C1C(=O)O)Br R0016X [0,1,0,0,1,0|1,0,0]=3 61 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O R000YE [0,1,0,0,1,0|1,0,0]=3 62 B10R1.61 CC1=CC=CC=C1C(=O)O R001A9 [0,1,0,0,1,0|0,0,0]=2 63 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O R0010E [0,1,0,0,1,0|1,0,1]=4 64 B10R1.113 B(C1=CC(=CC=C1)Cl)(O)O R000WQ [0,1,0,0,1,0|1,0,1]=4 65 B10R1.113 B(C1=CC(=CC=C1)F)(O)O R000WM [0,1,0,0,1,0|1,0,1]=4 66 B10R1.113 B(C1=CC(=CC=C1)O)(O)O R000W2 [0,1,0,0,1,0|1,0,1]=4 67 B10R1.113 C1=C(C=NC=C1Br)C(=O)O R0018E [0,1,0,0,1,0|1,0,0]=3 68 B10R1.113 C1=C(C=NC=C1O)C(=O)O R001C0 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.113 C1=CC(=CC(=C1)Cl)[N+](=O)[O-] R000UX [0,1,0,0,1,0|1,0,1]=4 70 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O R001BH [0,1,0,0,1,0|1,0,0]=3 71 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)N R001BP [0,1,0,0,1,0|2,0,0]=4 72 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O R001BQ [0,1,0,0,1,0|1,0,0]=3 73 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O R001BG [0,1,0,0,1,0|1,0,0]=3 74 B10R1.113 C1=CN=C(C=C1C(=O)O)Br R0015T [0,1,0,0,1,0|1,0,0]=3 75 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl R00111 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O R00189 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.113 C1=CNC(=O)C=C1C(=O)O R000YF [0,1,0,0,1,0|1,0,0]=3 78 B10R1.113 CC1=CC=CC(=C1)C(=O)O R001A7 [0,1,0,0,1,0|0,0,0]=2 79 B10R1.113 CC1=CC=CC(=N1)C(=O)O R001BF [0,1,0,0,1,0|1,0,0]=3 80 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)N R00106 [0,1,0,0,0,1|0,0,0]=2 81 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O R000SB [0,1,0,0,0,1|0,0,1]=3 82 B12R1.19 CC1=C(C=CC(=C1)NC(=O)C)Br R0015D [0,2,0,0,0,0|2,0,0]=4 83 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O R0014T [0,2,0,0,0,0|0,0,0]=2 84 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O R0014S [0,2,0,0,0,0|0,0,0]=2 85 B12R1.371 COC(=O)CC1=CC=CC=C1Cl R001B0 [0,2,0,0,0,0|0,0,0]=2 86 B10R2.7 C1=CC=C2C(=C1)C=CN2 R001A3 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.24 C1CC(=O)NC2=CC=CC=C21 R0013X [0,0,0,1,0,1|1,0,0]=3