0 B9R1.15 CC1=C(C#N)N=CC=C1 BB_SC-07225 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 CC1=CC=CC=C1CCl BB_SC-07008 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.15 CC1=CC=CC=C1NN BB_SC-06250 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB_SC-06882 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.15 N#CC1=C(F)C=CC=C1 BB_SC-03292 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.15 N#CC1=C(N)C=CC=C1 BB_SC-04521 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.15 N#CC1=C(O)C=CC=C1 BB_SC-04062 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.15 N#CC1=CC=CC=C1Cl BB_SC-12389 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.15 N#CC1=CC=CN=C1Cl BB_SC-01726 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.15 NC1=C(CO)C=CC=C1 BB_SC-05568 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.15 NC1=NC=CC=C1C=O BB_SC-04877 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.15 NCC1=C(Cl)C=CC=C1 BB_SC-06959 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.15 NCC1=C(F)C=CC=C1 BB_SC-04585 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.15 NNC1=C(Br)C=CC=C1 BB_SC-02803 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 NNC1=CC=CC=C1F BB_SC-06248 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 O=CC1=C(Cl)C=CC=C1 BB_SC-06736 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.15 O=CC1=CC=CN=C1Cl BB_SC-09204 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.2 N#CC1=CC=CN=C1 BB_SC-12614 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 N#CC1=CC=NC=C1 BB_SC-07019 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 N#CC1=NC=CC=C1 BB_SC-08696 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 NNC1=NC=CC=C1 BB_SC-07490 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [1,0,0,0,0,0|0,0,2]=3 37 B8R1.5 CC1=C(Br)C=NC=C1 BB_SC-09560 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.5 CC1=C(N)C=CC=C1 BB_SC-07050 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.5 CC1=C(N)N=CC=C1 BB_SC-06560 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.5 CC1=CC=NC=C1C BB_SC-06614 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.5 C[N+]1=CC=CC=C1Cl BB_SC-06462 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.5 NC1=C(Br)C=CC=C1 BB_SC-12017 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.5 NC1=C(F)C=CC=C1 BB_SC-05842 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.5 NC1=C(I)C=CC=C1 BB_SC-06756 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.5 NC1=C(O)C=CN=C1 BB_SC-04743 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.5 NC1=CC=CN=C1Cl BB_SC-01725 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 NC1=CC=CN=C1N BB_SC-04738 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 NC1=CC=NC=C1N BB_SC-03135 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 NC1=NC=CC=C1O BB_SC-01724 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.5 OC1=C(Br)N=CC=C1 BB_SC-04833 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.5 OC1=C(Cl)N=CC=C1 BB_SC-12711 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.5 OC1=C(O)C=CC=C1 BB_NC-02239 [1,0,0,0,0,0|0,0,1]=2 53 B8R1.5 OC1=C(O)N=CC=C1 BB_SC-05516 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.2 CCC1=C(O)C(=O)C=CO1 BB_NC-03221 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BB_SC-06839 [0,1,0,0,0,0|0,0,0]=1 56 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl BB_SC-04525 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.2 O=CC1=CC=CC(Cl)=C1F BB_SC-04544 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.4 FC1=CC=CC=C1N=C=S BB_SC-01853 [0,1,0,0,0,0|1,1,1]=4 60 B10R1.4 O\N=C\C1=CC=CC=C1O BB_SC-05445 [0,1,0,0,0,0|0,0,1]=2 61 B10R1.4 S=C=NC1=CC=CC=C1Cl BB_SC-01851 [0,1,0,0,0,0|1,1,1]=4 62 B10R1.20 COC1=CC=CC=C1CN BB_SC-06448 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.20 COC1=NC=CC=C1C#N BB_SC-07583 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.20 N#CC1=C(C#N)C=CC=C1 BB_SC-05468 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.20 N#CC1=CC=CC=C1CBr BB_SC-04528 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.20 O=CC1=CC=CC=C1C=O BB_SC-04536 [0,1,0,0,0,0|0,0,1]=2 67 B10R1.25 COC1=CC=C(N)C=C1Cl BB_SC-11214 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.25 ClCC1=CC=C(Cl)C=C1Cl BB_SC-07005 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.25 N#CC1=C(F)C=C(F)C=C1 BB_SC-03006 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.25 N#CC1=CC=C(Br)C=C1F BB_SC-04563 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.25 NNC1=CC=C(Br)C=C1F BB_SC-06253 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.25 NNC1=CC=C(Cl)C=C1F BB_SC-06428 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.25 NNC1=CC=C(F)C=C1F BB_SC-06210 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.25 O=CC1=C(O)C=C(O)C=C1 BB_NC-02242 [0,1,0,0,0,0|0,0,0]=1 75 B10R1.25 O=CC1=CC=C(Br)C=C1F BB_SC-04539 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.25 O=CC1=CC=C(Cl)C=C1Cl BB_SC-12617 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.25 O=CC1=CC=C(Cl)C=C1F BB_SC-04542 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.30 N#CC1=C(N)C=CC(Cl)=C1 BB_SC-04522 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl BB_SC-04562 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.30 N#CC1=CC(F)=CC=C1N BB_SC-04567 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.30 NNC1=CC(F)=CC=C1Cl BB_SC-06429 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.30 O=CC1=C(F)C=CC(F)=C1 BB_SC-02970 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB_SC-06583 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.30 O=CC1=CC(Br)=CC=C1F BB_SC-04541 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.30 O=CC1=CC(Cl)=CC=C1F BB_SC-04545 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,1,0,0,0,0|0,0,0]=1 88 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BB_NC-02406 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] BB_SC-10672 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [0,1,0,0,0,0|1,1,0]=3 103 B10R1.61 O=C(O)C1=CC=CNC1=O BB_NC-02163 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 BB_SC-04744 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl BB_SC-02086 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O BB_SC-04742 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.245 N#CC1=C(Cl)C=CC=C1Cl BB_SC-04561 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.245 N#CC1=C(Cl)C=CC=C1N BB_SC-04564 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.245 N#CC1=C(F)C=CC=C1F BB_SC-04524 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.245 N#CC1=C(F)C=CC=C1N BB_SC-11363 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl BB_SC-12618 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.245 O=CC1=C(F)C=CC=C1Cl BB_SC-04834 [0,1,0,0,0,0|1,0,0]=2 113 B10R2.7 C1=CC2=C(C=C1)NC=C2 BB_NC-02223 [0,0,0,1,0,0|2,0,0]=3 114 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [0,0,0,1,0,0|2,0,1]=4 115 B10R2.7 C1=CC2=N[Se]N=C2C=C1 BB_SC-00314 [0,0,0,1,0,0|2,1,0]=4 116 B10R2.7 C1=CN=C2NC=CC2=C1 BB_SC-04652 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [0,0,0,0,1,0|3,0,0]=4 118 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [0,0,0,0,1,0|2,0,0]=3 119 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [0,0,0,0,1,0|2,0,0]=3 120 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [0,0,0,0,1,0|3,0,0]=4 121 B7R1.3 BrC1=CC=CC=N1 BB_SC-04785 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.3 BrC1=CC=NC=C1 BB_SC-02988 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.3 BrC1=CN=CC=C1 BB_SC-04786 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.3 CC1=CC=NC=C1 BB_SC-07024 [2,0,0,0,0,0|1,0,1]=4 125 B7R1.3 ClC1=CC=CC=N1 BB_SC-06726 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.3 FC1=CC=CC=N1 BB_SC-03368 [2,0,0,0,0,0|2,0,0]=4 127 B7R1.3 IC1=CC=NC=C1 BB_SC-02996 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.3 NC1=CC=CN=C1 BB_SC-06592 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 NC1=CC=NC=C1 BB_SC-06974 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.3 NC1=NC=CC=C1 BB_SC-06704 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.3 OC1=CN=CC=C1 BB_SC-00238 [2,0,0,0,0,0|1,0,0]=3 132 B7R1.3 OC1=NC=CC=C1 BB_SC-07237 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.1 CC1=CC=C(CCl)C=C1 BB_SC-06960 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [1,1,0,0,0,0|1,0,1]=4 135 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.1 ClCC1=CC=C(Br)C=C1 BB_SC-04526 [1,1,0,0,0,0|1,0,1]=4 138 B9R1.1 FC1=CC=C(CCl)C=C1 BB_SC-06883 [1,1,0,0,0,0|1,0,1]=4 139 B9R1.1 N#CC1=CC=C(F)C=C1 BB_SC-04560 [1,1,0,0,0,0|1,0,1]=4 140 B9R1.1 N#CC1=CC=C(N)C=C1 BB_SC-12619 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.1 NCC1=CC=C(Cl)C=C1 BB_SC-04583 [1,1,0,0,0,0|1,0,1]=4 143 B9R1.1 NCC1=CC=C(N)C=C1 BB_SC-08895 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.1 NNC1=CC=C(Br)C=C1 BB_SC-06247 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.1 NNC1=CC=C(Cl)C=C1 BB_SC-05223 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [1,1,0,0,0,0|0,0,0]=2 147 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [1,1,0,0,0,0|0,0,0]=2 148 B9R1.1 OCC1=CC=C(Cl)C=C1 BB_SC-06996 [1,1,0,0,0,0|0,0,2]=4 149 B9R1.1 OCC1=CC=C(F)C=C1 BB_SC-06738 [1,1,0,0,0,0|0,0,2]=4 150 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.2 ClCC1=CC(Cl)=CC=C1 BB_SC-06965 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.2 ClCC1=CC=CC(Br)=C1 BB_SC-09626 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.2 NCC1=CC(Cl)=CC=C1 BB_SC-04584 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.2 NCC1=CC(F)=CC=C1 BB_SC-04586 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.2 NCC1=CC(N)=CC=C1 BB_SC-08894 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 NNC1=CC=CC(F)=C1 BB_SC-06249 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,1,0,0,0,0|0,0,0]=2 162 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [1,1,0,0,0,0|1,0,0]=3 170 B9R1.6 N=C(N)C1=CC=CN=C1 BB_SC-07349 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.6 NC(=O)C1=CN=CC=N1 BB_SC-01250 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.6 NC(=S)C1=CN=CC=C1 BB_SC-05504 [1,1,0,0,0,0|1,1,0]=4 175 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,1,0,0,0,0|1,0,1]=4 182 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,1,0,0,0,0|0,0,2]=4 184 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,1,0,0,0,0|0,0,1]=3 188 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,1,0,0,0,0|0,0,2]=4 189 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,1,0,0,0,0|0,1,1]=4 190 B9R1.3 CC1=C(O)C(=O)C=CO1 BB_NC-01542 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.3 CC1=C(O)OC=CC1=O BB_NC-02798 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.3 CC1=CC=CC(C)=C1O BB_SC-06920 [1,1,0,0,0,0|0,0,1]=3 193 B9R1.3 CC1=CC=CC(N)=C1C BB_SC-06707 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.3 NC1=C(F)C=CC=C1F BB_SC-04594 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.3 OC1=CC=CC(O)=C1O BB_SC-06919 [1,1,0,0,0,0|0,0,1]=3 196 B9R1.69 CC1=C(Cl)C=C(N)C=C1 BB_SC-07067 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.69 CC1=C(N)C=C(N)C=C1 BB_SC-07051 [1,1,0,0,0,0|1,0,1]=4 198 B9R1.69 CC1=C(N)C=CC(Cl)=C1 BB_SC-07251 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.69 CC1=C(N)C=CC(I)=C1 BB_SC-11750 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.69 CC1=CC(=O)C(O)=CO1 BB_NC-03139 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.69 CC1=CC(=O)C=CC1=O BB_NC-03240 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.69 CC1=CC(Br)=C(N)C=C1 BB_SC-06708 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.69 CC1=CC(C)=C(O)C=C1 BB_SC-06950 [1,1,0,0,0,0|0,0,1]=3 204 B9R1.69 CC1=CC=C(N)C(Cl)=C1 BB_SC-07252 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.69 CC1=CC=C(N)C(N)=C1 BB_SC-06834 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.69 NC1=CC(Cl)=C(F)C=C1 BB_SC-11228 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.69 NC1=CC(Cl)=CC=C1Cl BB_SC-12020 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.69 NC1=CC(Cl)=CC=C1O BB_SC-07145 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.69 NC1=CC(F)=C(F)C=C1 BB_SC-04633 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.69 NC1=CC=C(Cl)C(Cl)=C1 BB_SC-06803 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.69 NC1=CC=C(Cl)C=C1N BB_SC-06498 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.22 CN1C=C(Br)C=C1C=O BB_SC-11392 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.132 CC1=CC=C(C=O)N1C BB_SC-07546 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.8 O=CC1=C(O)C(Cl)=CC(Cl)=C1 BB_SC-09436 [0,2,0,0,0,0|0,0,0]=2 216 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 BB_SC-10700 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1F BB_SC-09568 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.265 COC1=CC=CC(F)=C1C#N BB_SC-03003 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.267 COC1=CC=CC(C=O)=C1O BB_NC-00156 [0,2,0,0,0,0|0,0,0]=2 220 B11R1.278 O=CC1=CC=C(F)C(F)=C1F BB_SC-04558 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.41 COC1=C(N=C=O)C=CC=C1 BB_SC-06802 [0,2,0,0,0,0|0,0,1]=3 222 B11R1.41 COC1=CC=CC=C1CCN BB_NC-02180 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.41 COC1=CC=CC=C1N=C=S BB_SC-01848 [0,2,0,0,0,0|0,1,1]=4 224 B11R1.81 O=C=NC1=C(F)C=C(F)C=C1 BB_SC-04588 [0,2,0,0,0,0|1,0,1]=4 225 B11R1.86 NC(=S)NC1=CC=CC=C1O BB_SC-05847 [0,2,0,0,0,0|0,1,0]=3 226 B11R1.86 O=C(O)CN1C=CC=CC1=O BB_NC-01632 [0,2,0,0,0,0|1,0,1]=4 227 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BB_SC-12593 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [0,2,0,0,0,0|0,0,0]=2 229 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [0,2,0,0,0,0|0,0,0]=2 230 B11R1.222 COC(=O)C1=CC=CC=C1N BB_SC-02799 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.222 COC(=O)C1=CC=CC=C1O BB_SC-07170 [0,2,0,0,0,0|0,0,0]=2 232 B11R1.222 COC(=O)C1=CC=CN=C1N BB_SC-05275 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BB_SC-00083 [0,2,0,0,0,0|0,0,0]=2 234 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 BB_SC-12270 [0,2,0,0,0,0|1,0,1]=4 235 B11R1.222 N\C(=N/O)C1=C(F)C=CC=C1 BB_SC-12261 [0,2,0,0,0,0|1,0,1]=4 236 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB_NC-02268 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BB_SC-12471 [0,2,0,0,0,0|0,0,0]=2 238 B11R1.53 COC1=CC=CC=C1C(C)=O BB_SC-06447 [0,2,0,0,0,0|0,0,0]=2 239 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BB_SC-02998 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.53 COC1=NC=CC=C1C(=O)O BB_NC-02512 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 BB_SC-05512 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.53 O=CC1=CC=CC=C1C(=O)O BB_SC-06206 [0,2,0,0,0,0|0,0,0]=2 243 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] BB_SC-07125 [0,2,0,0,0,0|0,0,1]=3 244 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 BB_SC-06991 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BB_SC-08749 [0,2,0,0,0,0|0,0,0]=2 246 B11R1.166 CC(=O)C1=CC=C(O)C=C1O BB_SC-06691 [0,2,0,0,0,0|0,0,0]=2 247 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 BB_SC-07126 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 BB_NC-02806 [0,2,0,0,0,0|1,0,1]=4 249 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB_SC-10587 [0,2,0,0,0,0|1,0,1]=4 250 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BB_SC-11357 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.166 NC(=O)C1=CC=C(N)C=C1Cl BB_SC-07355 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 BB_SC-10701 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BB_SC-03001 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.166 O=C(O)C1=CC=C(O)C=C1O BB_NC-02190 [0,2,0,0,0,0|0,0,0]=2 255 B11R1.166 O=C(O)C1=CN=C(O)N=C1O BB_NC-02188 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1O BB_SC-08901 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB_NC-02245 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.464 O=CC1=C(Br)C=C(Br)C=C1O BB_SC-12655 [0,2,0,0,0,0|0,0,0]=2 259 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [0,2,0,0,0,0|0,0,0]=2 260 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [0,2,0,0,0,0|0,0,0]=2 261 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,2,0,0,0,0|0,0,0]=2 262 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 BB_SC-07661 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl BB_SC-07846 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.167 NC(=O)C1=CC(N)=CC=C1F BB_SC-10746 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 BB_SC-02770 [0,2,0,0,0,0|1,0,0]=3 266 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB_SC-05514 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BB_SC-02782 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 BB_NC-00015 [0,2,0,0,0,0|0,0,0]=2 269 B11R1.167 NC1=CC([N+](=O)[O-])=C(Cl)C=C1 BB_SC-06975 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O BB_SC-02779 [0,2,0,0,0,0|1,0,0]=3 271 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 BB_SC-10834 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BB_SC-10837 [0,2,0,0,0,0|1,0,0]=3 273 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 BB_SC-04571 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 BB_SC-06258 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB_SC-04573 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 BB_NC-02255 [0,2,0,0,0,0|0,0,0]=2 277 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BB_SC-06654 [0,2,0,0,0,0|0,0,0]=2 278 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O BB_SC-04655 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl BB_SC-02559 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CC=C1F BB_SC-04596 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB_SC-04549 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB_SC-09407 [0,2,0,0,0,0|0,0,0]=2 284 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1F BB_SC-09612 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl BB_SC-10723 [0,2,0,0,0,0|1,0,0]=3 288 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F BB_SC-04581 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl BB_SC-04569 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.156 O=C(O)C1=C(F)C=CC=C1F BB_SC-00376 [0,2,0,0,0,0|1,0,0]=3 291 B11R1.156 O=C(O)C1=C(O)C=CC=C1O BB_SC-02393 [0,2,0,0,0,0|0,0,0]=2 292 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [0,0,1,1,0,0|2,0,0]=4 293 B11R2.106 CC1=CC=CC2=C1C=CN2 BB_SC-06241 [0,1,0,1,0,0|2,0,0]=4 294 B11R2.106 ClC1=CC=CC2=C1C=CN2 BB_SC-10939 [0,1,0,1,0,0|2,0,0]=4 295 B11R2.106 NC1=C2C=CNC2=CC=C1 BB_SC-12098 [0,1,0,1,0,0|2,0,0]=4 296 B11R2.106 OC1=C2C=CNC2=CC=C1 BB_SC-01868 [0,1,0,1,0,0|1,0,0]=3 297 B11R2.106 OC1=CC=CC2=C1N=S=N2 BB_SC-02554 [0,1,0,1,0,0|1,1,0]=4 298 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.10 ClC1=NC2=CC=CC=C2N1 BB_SC-01597 [0,1,0,1,0,0|2,0,0]=4 300 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB_SC-10670 [0,1,0,1,0,0|1,1,0]=4 301 B11R2.10 NC1=NC2=CC=CC=C2N1 BB_SC-03294 [0,1,0,1,0,0|2,0,0]=4 302 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [0,1,0,1,0,0|1,0,0]=3 303 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BB_NC-02706 [0,1,0,1,0,0|0,0,0]=2 304 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BB_SC-05250 [0,1,0,1,0,0|2,0,0]=4 305 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BB_SC-06650 [0,1,0,1,0,0|1,1,0]=4 306 B11R2.10 SC1=NC2=C(C=CC=C2)O1 BB_SC-00261 [0,1,0,1,0,0|0,1,0]=3 307 B11R2.10 SC1=NC2=CC=CC=C2S1 BB_SC-05553 [0,1,0,1,0,0|0,2,0]=4 308 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BB_SC-06766 [0,1,0,1,0,0|2,0,0]=4 309 B11R2.20 C1=CC2=CC=NC=C2C=C1 BB_SC-06613 [0,1,0,1,0,0|2,0,0]=4 310 B11R2.20 C1=CC=C2N=CC=NC2=C1 BB_SC-07021 [0,1,0,1,0,0|2,0,0]=4 311 B11R2.1 ClC1=NSC2=C1C=CC=C2 BB_SC-01606 [0,1,0,1,0,0|1,1,0]=4 312 B11R2.1 NC1=C2C=CC=CC2=NS1 BB_SC-05820 [0,1,0,1,0,0|1,1,0]=4 313 B11R2.1 NC1=NCC2=C1C=CC=C2 BB_SC-00005 [0,1,0,1,0,0|2,0,0]=4 314 B11R2.1 NC1=NOC2=NC=CC=C12 BB_SC-09555 [0,1,0,1,0,0|2,0,0]=4 315 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [0,1,0,1,0,0|0,0,0]=2 316 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 BB_SC-01562 [0,1,0,1,0,0|2,0,0]=4 317 B11R2.36 BrC1=CC=C2C=CNC2=C1 BB_SC-01865 [0,1,0,1,0,0|2,0,0]=4 318 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BB_SC-01558 [0,1,0,1,0,0|2,0,0]=4 319 B11R2.36 ClC1=CC=C2C=CNC2=C1 BB_SC-05138 [0,1,0,1,0,0|2,0,0]=4 320 B11R2.36 ClC1=CC=C2NC=CC2=C1 BB_SC-01608 [0,1,0,1,0,0|2,0,0]=4 321 B11R2.36 FC1=CC=C2C=CNC2=C1 BB_SC-01877 [0,1,0,1,0,0|2,0,0]=4 322 B11R2.36 NC1=CC2=C(C=C1)C=NN2 BB_SC-12600 [0,1,0,1,0,0|2,0,0]=4 323 B11R2.36 NC1=CC2=C(C=C1)OCO2 BB_SC-12006 [0,1,0,1,0,0|2,0,0]=4 324 B11R2.36 NC1=CC=C2C=CNC2=C1 BB_SC-04605 [0,1,0,1,0,0|2,0,0]=4 325 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BB_SC-01866 [0,1,0,1,0,0|2,0,0]=4 326 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-01237 [0,1,0,1,0,0|2,0,0]=4 327 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-02931 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [1,0,0,0,1,0|1,0,0]=3 329 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [1,0,0,0,1,0|1,0,0]=3 330 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [1,0,0,0,1,0|2,0,0]=4 331 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [1,0,0,0,1,0|1,0,0]=3