0 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.17 CCNCC1=CC=NC=C1 8861 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=S 8487 [0,1,0,0,0,0|1,1,1]=4 14 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [0,1,0,0,0,0|2,0,1]=4 18 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 6803 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.20 C1=CC=C2C=CC=CC2=C1 5853 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [0,0,0,1,0,0|1,0,2]=4 21 B11R2.20 C1CNCC2=CC=CC=C21 8407 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|0,0,1]=3 39 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|0,0,1]=3 40 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.15 C1=CC(=CN=C1)C(=NO)N 9520 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br 10165 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I 5062 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N 10608 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,2,0,0,0,0|0,0,1]=3 63 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,2,0,0,0,0|0,0,1]=3 64 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,2,0,0,0,0|0,0,1]=3 65 B12R1.21 C1=CC(=CC=C1\C=C\[N+](=O)[O-])O 10331 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.385 CC1=C(C=C(C=C1)NCCO)O 8141 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F 6293 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.17 CCOC(=O)C1=CC(=CC=C1)I 5004 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.30 CCCOC(=O)C1=CC=CC=C1 5507 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 5514 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.308 CCOC(=O)C1=CC=CC=C1F 5379 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.308 CCOC(=O)C1=CC=CC=C1I 8646 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,2,0,0,0,0|0,0,1]=3 75 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,2,0,0,0,0|0,0,1]=3 76 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,2,0,0,0,0|0,0,1]=3 78 B12R1.27 COC(=O)C=Cc1ccccn1 P1249 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [0,2,0,0,0,0|0,0,1]=3 80 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,2,0,0,0,0|0,0,2]=4 81 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O 9395 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [0,0,1,1,0,0|2,0,0]=4 84 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [1,0,0,1,0,0|2,0,0]=4 85 B10R2.7 C1=CC2=NC=CN2C=C1 8887 [1,0,0,1,0,0|2,0,0]=4 86 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|0,0,0]=2 87 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [1,0,0,1,0,0|2,0,0]=4 88 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|0,0,2]=4 89 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [0,1,0,1,0,0|0,0,1]=3 96 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 10210 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.1081 C1=CC2=C(C(=C1)N)N=CC=C2 6838 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 6840 [0,1,0,1,0,0|1,0,1]=4 101 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)N 9513 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br 8097 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,1,0,1,0,0|0,0,2]=4 104 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F 5357 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N 10679 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.1081 CC1=CC=CC2=C1N=CC=C2 8385 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.1081 CC1=CC=NC2=CC=CC=C12 9629 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,1,0,1,0,0|0,0,0]=2 110 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N C1259 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,1,0,1,0,0|0,0,2]=4 112 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,1,0,1,0,0|0,0,0]=2 114 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,1,0,1,0,0|0,0,2]=4