0 B10R1.20 COC1=CC=CC=C1CN BB_SC-06448 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.20 COC1=NC=CC=C1C#N BB_SC-07583 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 N#CC1=C(C#N)C=CC=C1 BB_SC-05468 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.20 N#CC1=CC=CC=C1CBr BB_SC-04528 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 O=CC1=CC=CC=C1C=O BB_SC-04536 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.15 CC1=C(C#N)N=CC=C1 BB_SC-07225 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.15 CC1=CC=CC=C1CCl BB_SC-07008 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.15 CC1=CC=CC=C1NN BB_SC-06250 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB_SC-06882 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.15 N#CC1=C(F)C=CC=C1 BB_SC-03292 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 N#CC1=C(N)C=CC=C1 BB_SC-04521 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 N#CC1=C(O)C=CC=C1 BB_SC-04062 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.15 N#CC1=CC=CC=C1Cl BB_SC-12389 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.15 NC1=C(CO)C=CC=C1 BB_SC-05568 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.15 NC1=NC=CC=C1C=O BB_SC-04877 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 NCC1=C(Cl)C=CC=C1 BB_SC-06959 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 NCC1=C(F)C=CC=C1 BB_SC-04585 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 NNC1=C(Br)C=CC=C1 BB_SC-02803 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 NNC1=CC=CC=C1F BB_SC-06248 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 O=CC1=C(Cl)C=CC=C1 BB_SC-06736 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.15 O=CC1=CC=CN=C1Cl BB_SC-09204 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.37 COC1=NC(C)=CC=C1C#N BB_SC-11266 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.41 COC1=C(N=C=O)C=CC=C1 BB_SC-06802 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.41 COC1=CC=CC=C1CCN BB_NC-02180 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.41 COC1=CC=CC=C1N=C=S BB_SC-01848 [0,1,0,0,0,0|0,1,1]=3 28 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB_NC-02268 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BB_SC-12471 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.53 COC1=CC=CC=C1C(C)=O BB_SC-06447 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BB_SC-02998 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.53 COC1=NC=CC=C1C(=O)O BB_NC-02512 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 BB_SC-05512 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.53 O=CC1=CC=CC=C1C(=O)O BB_SC-06206 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] BB_SC-07125 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.265 COC1=CC=CC(F)=C1C#N BB_SC-03003 [0,1,0,0,0,0|1,0,1]=3 37 B11R2.1 ClC1=NSC2=C1C=CC=C2 BB_SC-01606 [0,0,0,1,0,0|2,1,0]=4 38 B11R2.1 NC1=C2C=CC=CC2=NS1 BB_SC-05820 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.1 NC1=NCC2=C1C=CC=C2 BB_SC-00005 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.1 NC1=NOC2=NC=CC=C12 BB_SC-09555 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BB_SC-06766 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.20 C1=CC2=CC=NC=C2C=C1 BB_SC-06613 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.14 CCN1C=CN=C1C=O BB_SC-07793 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|0,0,2]=4 55 B8R1.5 CC1=C(Br)C=NC=C1 BB_SC-09560 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 CC1=C(N)C=CC=C1 BB_SC-07050 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.5 CC1=C(N)N=CC=C1 BB_SC-06560 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 CC1=CC=NC=C1C BB_SC-06614 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.5 C[N+]1=CC=CC=C1Cl BB_SC-06462 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 NC1=C(Br)C=CC=C1 BB_SC-12017 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 NC1=C(F)C=CC=C1 BB_SC-05842 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 NC1=C(I)C=CC=C1 BB_SC-06756 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 NC1=C(O)C=CN=C1 BB_SC-04743 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 NC1=NC=CC=C1O BB_SC-01724 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 OC1=C(Br)N=CC=C1 BB_SC-04833 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 OC1=C(Cl)N=CC=C1 BB_SC-12711 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 OC1=C(O)C=CC=C1 BB_NC-02239 [2,0,0,0,0,0|0,0,1]=3 68 B8R1.5 OC1=C(O)N=CC=C1 BB_SC-05516 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BB_SC-06839 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl BB_SC-04525 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.2 O=CC1=CC=CC(Cl)=C1F BB_SC-04544 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 O\N=C\C1=CC=CC=C1O BB_SC-05445 [1,1,0,0,0,0|0,0,1]=3 74 B10R1.25 COC1=CC=C(N)C=C1Cl BB_SC-11214 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.25 O=CC1=C(O)C=C(O)C=C1 BB_NC-02242 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.25 O=CC1=CC=C(Br)C=C1F BB_SC-04539 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.25 O=CC1=CC=C(Cl)C=C1Cl BB_SC-12617 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.25 O=CC1=CC=C(Cl)C=C1F BB_SC-04542 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.30 O=CC1=C(F)C=CC(F)=C1 BB_SC-02970 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB_SC-06583 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.30 O=CC1=CC(Br)=CC=C1F BB_SC-04541 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.30 O=CC1=CC(Cl)=CC=C1F BB_SC-04545 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] BB_SC-10672 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [1,1,0,0,0,0|1,1,0]=4 99 B10R1.61 O=C(O)C1=CC=CNC1=O BB_NC-02163 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O BB_SC-04742 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.245 COC1=C(C)NC=CC1=O BB_SC-05195 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl BB_SC-12618 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.245 O=CC1=C(F)C=CC=C1Cl BB_SC-04834 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.57 COC1=CC(F)=CC=C1C(C)=O BB_SC-04593 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.57 COC1=NC(C)=CC=C1C(=O)O BB_SC-06268 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB_SC-04015 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 BB_SC-06789 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.268 COC1=C(N=C=S)C=C(Cl)C=C1 BB_SC-01859 [0,2,0,0,0,0|0,1,1]=4 111 B12R1.75 CC(C)OC1=CC=CC=C1CN BB_SC-08914 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.75 COC1=CC=CC=C1CC(C)=O BB_NC-02173 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.77 CNC1=CC=CC=C1C(=O)OC BB_NC-02243 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 BB_SC-06845 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 BB_SC-12255 [0,2,0,0,0,0|0,0,1]=3 116 B12R1.121 COC1=C(OCCN)C=CC=C1 BB_SC-02768 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.283 CCOC1=NC=CC=C1C(=O)O BB_SC-03244 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.283 O=C=NC1=C(C(=O)Cl)C=CC=C1 BB_SC-09392 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.87 COC1=C(C)C=CC=C1C(=O)Cl BB_SC-02748 [0,2,0,0,0,0|0,0,0]=2 120 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O BB_SC-07056 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 BB_NC-02169 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.1879 COC1=CC=CC(C=O)=C1OC BB_SC-01445 [0,2,0,0,0,0|0,0,0]=2 123 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [0,0,1,1,0,0|2,0,0]=4 125 B10R2.7 C1=CC2=C(C=C1)NC=C2 BB_NC-02223 [1,0,0,1,0,0|1,0,1]=4 126 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.24 NC1=NC2=CC=CC=C2SC1 BB_SC-09491 [0,1,0,1,0,0|1,1,0]=4 129 B12R2.24 O=C1C=CC2=CC=CC=C2O1 BB_NC-00720 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 BB_SC-11998 [0,1,0,1,0,0|0,1,0]=3 132 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 BB_SC-10754 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB_NC-02097 [0,1,0,1,0,0|0,0,0]=2 134 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BB_NC-00219 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 BB_SC-00528 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BB_NC-02047 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BB_NC-02935 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB_NC-02184 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.315 COC1=CC=CC2=C1C=CN2 BB_NC-02162 [0,1,0,1,0,0|1,0,0]=3 140 B12R2.315 O=CC1=C2C=CNC2=CC=C1 BB_SC-04009 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BB_NC-00158 [0,1,0,1,0,0|0,0,0]=2 143 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BB_SC-06343 [0,1,0,1,0,0|1,0,1]=4 144 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 BB_SC-06345 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 BB_SC-06710 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 BB_SC-12392 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB_NC-02622 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [1,0,0,0,1,0|1,0,0]=3 150 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [1,0,0,0,1,0|1,0,0]=3 151 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [1,0,0,0,1,0|2,0,0]=4