0 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C[C@@H](N)C1=CC=NC=C1 BB31-0181 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 N=C(N)C1=NC=CC=N1 BB32-2375 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 O=C(O)C1=CSCCO1 BB51-1597 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.2 NNC1=NC=CC=C1 BB52-0908 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 O=CC1=NC=CC=N1 BB31-5137 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.2 O=CC1=NC=NC=C1 BB31-4750 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 O=CC1=NN=CC=C1 BB52-3335 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 OCC1=CN=NC=C1 BB32-2361 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.2 OCC1=NC=NC=C1 BB32-1282 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 BB31-5080 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.13 CC(O)C1=CN=C(Cl)C=C1 BB32-1451 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.13 CC1=NC=C(C(=O)O)C=N1 BB52-2338 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.13 N=C(N)C1=CC=C(I)C=C1 BB31-9721 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB31-7117 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 BB32-1869 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 NC(=O)C1=CNC(=O)C=N1 BB32-0472 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 NC(=O)C1=NC=C(N)C=C1 BB31-2838 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.13 NC(=O)C1=NC=C(N)C=N1 BB31-5985 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.13 NC(=O)C1=NC=C(N)N=C1 BB31-6353 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 NC1=CC=C(B(O)O)C=C1 BB31-8502 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.13 NC1=CN=C(C(=O)O)N=C1 BB32-3215 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 BB31-0817 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.15 CCC(=O)C1=NC=CN=C1 BB32-2771 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.15 COC(=O)C1=CN=NC=C1 BB31-6242 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.28 CC(C)(O)C1=NC=CC=C1 BB32-1616 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 BB32-0682 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 BB31-5431 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 BB31-7884 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 BB31-1060 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.61 CC(=O)C1=C(O)C=NC=C1 BB32-1019 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.61 CC(=O)C1=CC=CN=C1Br BB31-6615 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 CC(N)C1=C(Br)C=CC=C1 BB31-0378 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.61 CC(O)C1=C(F)C=CC=N1 BB31-5459 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.61 CC1=C(C(=N)N)C=CC=C1 BB31-5703 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.61 CN(C)C1=C(F)C=CC=C1 BB32-1594 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 BB31-0478 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 BB31-0488 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 BB31-7807 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 BB31-1004 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 BB31-2127 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 BB31-8099 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.61 N=C(N)C1=C(Cl)C=CC=N1 BB31-9082 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.61 NC(=O)C1=C(F)C=NC=C1 BB32-0426 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.61 NC(=O)C1=C(O)C=NC=C1 BB31-0185 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.61 NC(=O)C1=CC=CN=C1S BB32-2901 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.61 NC1=C(B(O)O)C=CC=N1 BB31-8870 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BB52-2193 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.61 NC1=C(C(F)F)C=CC=C1 BB31-2757 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 BB32-3365 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.61 O=C(O)C1=CC=NNC1=O BB31-4706 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 BB31-9668 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S BB31-5811 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 BB31-8594 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.113 CC(=O)C1=CC(F)=NC=C1 BB31-8727 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 BB32-0630 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.113 CC(=O)C1=CC=CC(F)=N1 BB31-7596 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 BB31-1715 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.113 CC(=O)C1=NC(=N)NC=C1 BB31-8729 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.113 CC(=O)C1=NC(N)=CC=C1 BB31-9363 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 BB31-8955 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.113 CC(O)C1=CC=CC(Br)=N1 BB31-9694 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.113 CC1=CC([N+](=O)[O-])=CN=C1 BB31-7176 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.113 CC1=CC=CC(B(O)O)=N1 BB32-1313 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.113 CC1=CC=CC(C(=N)N)=N1 BB31-9080 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 BB31-0480 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.113 CC1=CC=CC([C@@H](C)O)=C1 BB32-1902 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 BB32-2691 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.113 CN(C)C1=CC=CC(F)=C1 BB31-4166 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 BB32-0142 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 BB31-7991 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 BB31-5432 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 BB32-1579 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.113 NC(=O)C1=CN=CC(O)=C1 BB31-0206 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.113 NC(=S)C1=CC(N)=CC=C1 BB31-6919 [0,1,0,0,0,0|1,1,0]=3 92 B10R1.113 NC1=CC(B(O)O)=CN=C1 BB31-0493 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 BB31-2862 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.113 NC1=CC=CC(C(F)F)=C1 BB31-3122 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.113 O=C(O)C1=CC(I)=CN=C1 BB32-0482 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.113 O=C(O)C1=NC=CC(F)=C1 BB31-5136 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.113 O=C1N=CC=C(C(=O)O)N1 BB31-7356 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.113 O=[N+]([O-])C1=CC(O)=NC=C1 BB32-2540 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 BB31-6477 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.113 OB(O)C1=CC=CC(Br)=N1 BB31-5394 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.113 OB(O)C1=CC=CC(Cl)=N1 BB31-5395 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 BB31-6586 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.113 OC1=CC=CC(C(F)F)=C1 BB32-2098 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,0,0,0,1,0|3,0,0]=4 107 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,0,0,0,1,0|2,0,0]=3 108 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [0,0,0,0,1,0|3,0,0]=4 109 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,0,0,0,1,0|3,0,0]=4 110 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,0,0,0,1,0|2,1,0]=4 111 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,0,0,0,1,0|2,0,0]=3 112 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,0,1,0|2,0,0]=3 113 B8R1.7 O=C(O)C1=NON=C1 BB54-2722 [0,0,0,0,1,0|3,0,0]=4 114 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,0,0,0,1,0|1,0,2]=4 115 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,0,0,0,1,0|1,0,2]=4 116 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,0,0,0,1,0|2,0,1]=4 117 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [0,0,0,0,1,0|2,0,1]=4 118 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,0,1|2,0,0]=3 122 B7R1.3 O=C1C=COC=C1 BB31-5938 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.1 C#CC1=CC=C(O)C=C1 BB32-1037 [1,1,0,0,0,0|1,0,1]=4 124 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.1 C=CC1=CN=C(F)C=C1 BB31-0349 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.1 NC1=CN=C(CO)C=C1 BB31-5981 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.1 NC1=NC=C(C=O)C=N1 BB52-2221 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.1 O=C1C=CC(CO)=CN1 BB31-8238 [1,1,0,0,0,0|1,0,1]=4 131 B9R1.1 O=CC1=CNC(=O)N=C1 BB31-3327 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.1 O=CC1=NC=C(Br)C=N1 BB31-5037 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.1 O=CC1=NN=C(Cl)C=C1 BB31-4584 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.1 OCC1=NC=C(O)C=C1 BB31-5168 [1,1,0,0,0,0|1,0,1]=4 135 B9R1.2 C=CC1=CC=CC(N)=C1 BB31-5821 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.2 C=CC1=NC=CC(Br)=C1 BB32-2820 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.2 CC1=CC(CO)=NC=C1 BB32-1316 [1,1,0,0,0,0|1,0,1]=4 138 B9R1.2 CC1=CN=CC(C=O)=N1 BB31-0483 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.2 CNC1=CC=CC(I)=C1 BB32-3582 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.2 CNC1=CC=CC(O)=C1 BB31-2612 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.2 NC1=NC=CC(CO)=C1 BB52-8583 [1,1,0,0,0,0|1,0,1]=4 142 B9R1.2 O=CC1=CC=CC(=O)N1 BB32-1723 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.2 O=CC1=CN=CC(O)=C1 BB31-6018 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.2 OCC1=CC(Br)=CN=C1 BB31-7619 [1,1,0,0,0,0|1,0,1]=4 145 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.15 C=CC1=NC=CC=C1C BB32-1725 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.15 CC1=C(CO)C=CN=C1 BB32-1626 [1,1,0,0,0,0|1,0,1]=4 148 B9R1.15 CC1=NC=CN=C1C=O BB32-1077 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.15 NC1=C(CO)C=CN=C1 BB31-8031 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.15 NC1=CC=CN=C1C=O BB31-4893 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.15 NC1=CC=CN=C1CO BB31-5760 [1,1,0,0,0,0|1,0,1]=4 152 B9R1.15 NC1=NC=CN=C1C=O BB31-5072 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.15 NNC1=C(I)C=CC=C1 BB32-3554 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.15 O=C1NC=CC=C1CO BB32-1653 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.15 OCC1=C(Cl)C=NC=C1 BB31-5373 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.15 OCC1=C(O)C=NC=C1 BB32-1573 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.11 COC(=O)C1=NC=CO1 BB32-1812 [0,1,0,0,1,0|2,0,0]=4 158 B9R1.11 COC(=O)C1=NOC=C1 BB32-1155 [0,1,0,0,1,0|2,0,0]=4 159 B9R1.11 O=CC(=O)C1=CC=CO1 BB31-8251 [0,1,0,0,1,0|1,0,1]=4 160 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,1,0,0,1,0|2,0,0]=4 161 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,1,0,0,1,0|1,0,0]=3 164 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,1,0,0,1,0|2,0,0]=4 165 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,1,0,0,1,0|2,0,0]=4 166 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,1,0,0,1,0|2,0,0]=4 167 B9R1.35 NC(=O)C1=CSC(Br)=C1 BB31-4076 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,1,0,0,1,0|1,0,0]=3 169 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,1,0,0,1,0|1,0,0]=3 171 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [0,1,0,0,1,0|2,0,0]=4 176 B9R1.41 CC1=C(C(=O)O)ON=C1 BB31-4383 [0,1,0,0,1,0|2,0,0]=4 177 B9R1.41 NC(=O)C1=C(Br)C=CS1 BB31-6931 [0,1,0,0,1,0|2,0,0]=4 178 B9R1.41 NC(=O)C1=C(N)SC=C1 BB52-8541 [0,1,0,0,1,0|2,0,0]=4 179 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [0,1,0,0,1,0|2,0,0]=4 180 B9R1.41 NC1=C(C(=O)O)C=CS1 BB32-3009 [0,1,0,0,1,0|1,0,0]=3 181 B9R1.41 NC1=C(C(=O)O)C=NN1 BB52-3969 [0,1,0,0,1,0|2,0,0]=4 182 B9R1.41 O=C(O)C1=C(Br)C=CN1 BB31-2563 [0,1,0,0,1,0|1,0,0]=3 183 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB31-3871 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.41 O=C(O)C1=CNN=C1Cl BB31-9773 [0,1,0,0,1,0|2,0,0]=4 185 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,1,0,0,0,1|1,0,0]=3 187 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [0,1,0,0,0,1|1,0,0]=3 189 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [0,1,0,0,0,1|1,0,0]=3 190 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,1,0,0,0,1|1,0,0]=3 191 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,1,0,0,0,1|1,0,0]=3 192 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,0,0,0,1|1,0,0]=3 193 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,0,0,0,1|1,0,1]=4 194 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,1,0,0,0,1|1,0,0]=3 195 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,1,0,0,0,1|0,0,0]=2 196 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,1,0,0,0,1|1,0,0]=3 197 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,1,0,0,0,1|1,0,0]=3 198 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 BB31-5786 [0,1,0,0,0,1|1,0,0]=3 199 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 BB31-0028 [0,1,0,0,0,1|1,0,0]=3 200 B11R1.86 O=C(O)CN1C=CC=CC1=O BB52-8012 [0,1,0,0,0,1|1,0,0]=3 201 B11R1.86 O=C(O)CN1N=CC=CC1=O BB54-2728 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 BB31-0336 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.157 CC(=O)NC1=NC=CC(I)=C1 BB31-6635 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 BB31-5028 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 BB31-1635 [0,1,0,0,0,1|1,0,0]=3 206 B11R1.157 NC(=O)NC1=CC=CC(Br)=C1 BB31-5775 [0,1,0,0,0,1|1,0,0]=3 207 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BB31-4723 [0,1,0,0,0,1|1,0,0]=3 208 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 BB32-2011 [0,1,0,0,0,1|1,0,0]=3 209 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 BB31-6394 [0,1,0,0,0,1|1,0,0]=3 210 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 BB31-0031 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.509 O=S(=O)([O-])OC1=CC=CC=C1 BB31-3395 [0,1,0,0,0,1|1,0,1]=4 213 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 BB31-3691 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 BB52-2759 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 BB31-4402 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.3 CNC1=NC=C(C(N)=O)C=C1 BB32-3557 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.3 COC1=NC=C(C(=O)O)C=N1 BB31-7958 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.3 NCC1=CC=C(B(O)O)C=C1 BB32-2236 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 BB31-5217 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 BB32-1424 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 BB32-3211 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 BB32-3594 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.19 O=S(=O)(F)C1=CC=C(O)C=C1 BB31-7821 [0,2,0,0,0,0|1,0,1]=4 229 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 BB31-8254 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 BB31-1241 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 BB31-0768 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 BB31-6679 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.21 CC1=CC(C(=O)O)=CN=C1C BB31-4837 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.21 CC1=CC(C(=O)O)=CNC1=O BB31-7535 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.21 CC1=NC=C(C(=O)O)C=C1N BB31-7301 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.21 CN1C=C(C(=O)O)C=CC1=O BB52-8562 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 BB31-7933 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 BB31-8880 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 BB31-1191 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.21 NC1=C(F)C=C([N+](=O)[O-])C=C1 BB54-4428 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.21 NC1=C(I)C=CC([N+](=O)[O-])=C1 BB32-2598 [0,2,0,0,0,0|1,0,1]=4 242 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 BB31-2543 [0,2,0,0,0,0|0,0,0]=2 243 B11R1.21 NC1=CC(C(=O)O)=CN=C1Cl BB32-3665 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.21 NC1=CC(C(=O)O)=CN=C1N BB32-1482 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.21 O=C(O)C1=CC(Br)=C(F)N=C1 BB31-4538 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 BB31-8280 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 BB31-4757 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 BB31-7853 [0,2,0,0,0,0|0,0,0]=2 249 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 BB31-9203 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 BB31-9052 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 BB31-8597 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.21 O=C(O)C1=CN=C(I)C(O)=C1 BB32-3137 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 BB31-7565 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Br)C=C1 BB12-5221 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(I)C=C1 BB12-5222 [0,2,0,0,0,0|1,0,1]=4 256 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 BB31-5916 [0,2,0,0,0,0|1,0,1]=4 257 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [0,2,0,0,0,0|0,0,0]=2 258 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 BB32-1953 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 BB32-3823 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.22 COC(=O)C1=NN=C(C)C=C1 BB31-4747 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.22 COC(N)=C1C=CC(=O)C=C1 BB32-3012 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.22 NNC(=O)C1=CN=C(N)C=C1 BB32-1637 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 BB31-1158 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 BB31-4005 [0,2,0,0,0,0|1,0,1]=4 266 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 BB31-7635 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 BB31-2565 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 BB31-2020 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 BB32-1300 [0,2,0,0,0,0|0,0,0]=2 270 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 BB32-2415 [0,2,0,0,0,0|0,0,1]=3 271 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 BB32-3014 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=N1 BB31-2675 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 BB31-9256 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 BB32-1815 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 BB31-9078 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.166 CC1=C(C(=O)O)C=NC(=O)N1 BB31-1627 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=C1 BB12-5188 [0,2,0,0,0,0|1,0,1]=4 278 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O BB31-9293 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 BB31-4356 [0,2,0,0,0,0|1,0,1]=4 280 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB52-5680 [0,2,0,0,0,0|1,0,0]=3 281 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 BB32-2407 [0,2,0,0,0,0|1,0,0]=3 282 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 BB31-7213 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 BB52-1580 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 BB31-9907 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BB52-1804 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 BB52-1800 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.166 N1C(=O)C(C(=O)O)=CNC1=S BB52-1994 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 BB32-2608 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 BB31-1326 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 BB32-1819 [0,2,0,0,0,0|0,0,0]=2 291 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 BB31-1452 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O BB32-2526 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.166 NC1=NC(N)=C(C(=O)O)C=N1 BB31-8223 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 BB31-1269 [0,2,0,0,0,0|1,0,0]=3 295 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 BB17-0814 [0,2,0,0,0,0|0,0,0]=2 296 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BB31-1821 [0,2,0,0,0,0|1,0,0]=3 297 B11R1.166 O=C(O)C1=C(Cl)C=C(O)N=C1 BB31-7039 [0,2,0,0,0,0|1,0,0]=3 298 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 BB31-6039 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 BB31-1405 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Br BB31-7929 [0,2,0,0,0,0|1,0,0]=3 301 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl BB31-5224 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.166 O=C(O)C1=NN=C(Cl)C=C1Cl BB31-8883 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.166 O=C1C=CC(=C(O)O)C(=O)N1 BB31-8721 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.166 OB(O)C1=C(Cl)C=C(Br)C=C1 BB31-7976 [0,2,0,0,0,0|1,0,1]=4 305 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 BB31-6894 [0,2,0,0,0,0|1,0,1]=4 306 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 BB31-8057 [0,2,0,0,0,0|1,0,1]=4 307 B11R1.12 CCC(C=O)C1=CC=CC=C1 BB31-7584 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [0,2,0,0,0,0|0,0,0]=2 309 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [0,2,0,0,0,0|1,0,1]=4 310 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.16 N#CCC(=O)C1=CN=CC=C1 BB31-4608 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [0,2,0,0,0,0|0,0,2]=4 314 B11R1.23 CNC(=O)C1=CC(O)=CC=C1 BB31-3025 [0,2,0,0,0,0|1,0,0]=3 315 B11R1.23 COC(=O)C1=CC=CC(I)=N1 BB31-6799 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 BB31-8147 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.23 COC(=O)C1=NC(C)=NC=C1 BB31-7159 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.23 COC(=O)C1=NC=CC(F)=C1 BB31-6424 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.23 COC(=O)C1=NC=NC(C)=C1 BB32-3888 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.23 COC(=O)C1=NN=CC(C)=C1 BB31-3700 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 BB31-3734 [0,2,0,0,0,0|1,0,1]=4 322 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 BB31-5650 [0,2,0,0,0,0|1,0,0]=3 323 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 BB32-2898 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 BB31-9590 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 BB31-4154 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 BB32-0148 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 BB32-1793 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.222 CC1=C(C(=O)C=O)C=CC=C1 BB32-3322 [0,2,0,0,0,0|0,0,1]=3 329 B11R1.222 CC1=C(N(C)C=O)C=CC=C1 BB31-1907 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.222 CCC(=O)C1=C(Cl)N=CC=C1 BB52-7664 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.222 CNC(=O)C1=NC=CC=C1O BB31-1334 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.222 COC(=O)C1=C(N)N=NC=C1 BB31-1227 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 BB31-1755 [0,2,0,0,0,0|1,0,1]=4 334 B11R1.87 CC(C)(O)C1=C(I)C=CC=C1 BB32-3901 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.87 CC(C)(O)C1=C(O)C=CC=C1 BB32-1207 [0,2,0,0,0,0|1,0,1]=4 336 B11R1.87 NC1=C(S(=O)(=O)F)C=CC=C1 BB32-2074 [0,2,0,0,0,0|1,0,1]=4 337 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 BB31-6967 [0,2,0,0,0,0|1,0,1]=4 338 B11R1.155 CC1=CC=CC(S(C)(=N)=O)=C1 BB32-1453 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.155 CS(=O)(=O)C1=CC(F)=CC=C1 BB32-3725 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.155 CS(=O)(=O)C1=CC(O)=CC=C1 BB31-2626 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.155 NC1=CC=CC(S(=O)(=O)F)=C1 BB32-2076 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.155 O=S(=O)(O)C1=CC=CC(Br)=C1 BB32-1097 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 BB31-9300 [0,2,0,0,0,0|1,0,0]=3 344 B11R1.53 C=CC1=C([N+](=O)[O-])C=CC=C1 BB32-3396 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.53 CC(O)C1=C(C#N)C=CC=C1 BB31-3613 [0,2,0,0,0,0|1,0,1]=4 346 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 BB31-5819 [0,2,0,0,0,0|1,0,0]=3 347 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 BB32-0506 [0,2,0,0,0,0|1,0,0]=3 348 B11R1.53 COC1=C(C(=N)N)C=CC=C1 BB32-0582 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.53 COC1=C(C(N)=O)C=NC=C1 BB31-7215 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.53 N#CC1=CC=CN=C1C(=O)O BB31-5787 [0,2,0,0,0,0|1,0,0]=3 351 B11R1.53 NCC1=C(B(O)O)C=CC=C1 BB31-4306 [0,2,0,0,0,0|1,0,1]=4 352 B11R1.53 NCC1=C([N+](=O)[O-])C=CC=C1 BB31-3977 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O BB32-2577 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl BB31-1083 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl BB31-5116 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.156 CC1=CC=NC(N)=C1C(=O)O BB32-1592 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.156 CC1=CC=NC(O)=C1C(=O)O BB32-1780 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.156 N=C(N)C1=C(F)C=CC=C1F BB31-6942 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.156 NC(=O)C1=C(F)C=CC=C1O BB31-3258 [0,2,0,0,0,0|1,0,0]=3 360 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 BB31-9321 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 BB31-0249 [0,2,0,0,0,0|1,0,0]=3 362 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O BB32-3306 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br BB31-1607 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F BB31-7590 [0,2,0,0,0,0|1,0,0]=3 365 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br BB31-0291 [0,2,0,0,0,0|0,0,0]=2 366 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br BB31-3133 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.159 CC(O)C1=CC=CC(F)=C1F BB31-0908 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O BB31-7750 [0,2,0,0,0,0|1,0,0]=3 369 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl BB31-7446 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.159 CN1C(=O)C=CC=C1C(=O)O BB32-3280 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 BB31-0329 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N BB31-5159 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.159 NC(=O)C1=CC=CC(Cl)=C1N BB32-0637 [0,2,0,0,0,0|1,0,0]=3 374 B11R1.159 NC(=S)C1=CC=CC(Cl)=C1Cl BB31-5611 [0,2,0,0,0,0|1,1,0]=4 375 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O BB31-4895 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Br BB32-1820 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Cl BB32-1563 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1F BB32-1075 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1O BB31-4894 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.159 O=C(O)C1=C(F)C(I)=NC=C1 BB31-8024 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br BB32-0268 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.159 O=C(O)C1=CC=NC(F)=C1Cl BB31-6933 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl BB31-1242 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I BB31-5995 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O BB31-8460 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1I BB31-3855 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.159 OB(O)C1=CC=CC(Br)=C1Cl BB31-7931 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.159 OB(O)C1=CC=CC(I)=C1Br BB32-0762 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 BB31-3520 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 BB31-2893 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 BB31-9255 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.167 CC(=O)C1=C(O)C=CC(I)=C1 BB31-7249 [0,2,0,0,0,0|1,0,0]=3 393 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl BB31-6408 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.167 CC1=C(B(O)O)C=C(Br)C=C1 BB31-5391 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 BB31-9291 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.167 CC1=C(C(=O)O)N=C(Cl)N=C1 BB31-7285 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.167 CC1=C(C(N)=O)C=C(N)C=C1 BB32-2564 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 BB31-6434 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 BB32-2207 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 BB31-6680 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 BB31-9003 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.167 CC1=CNC(=O)C(C(=O)O)=C1 BB32-1929 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 BB31-4824 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 BB31-6881 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.167 NC(=O)C1=CC(F)=CN=C1Cl BB31-6917 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 BB31-0664 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 BB31-7675 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 BB32-2403 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.167 NC1=NC=C(F)C=C1C(=O)O BB31-1355 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 BB31-5086 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.167 O=C(O)C1=C(Br)C=NC(O)=C1 BB31-7503 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 BB32-3325 [0,2,0,0,0,0|0,0,0]=2 413 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 BB31-4987 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F BB31-6005 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1O BB32-2578 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.167 O=C(O)C1=CC(F)=CN=C1O BB31-6534 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl BB32-3008 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl BB32-1940 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl BB32-2151 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Cl)=C1 BB12-5241 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.167 O=[N+]([O-])C1=C(I)C=CC(Cl)=C1 BB12-5242 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 BB32-0814 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 BB31-8900 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.74 CC(=O)C1=NC(C)=CC(Br)=C1 BB31-8442 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.74 CC1=CC(B(O)O)=CC(O)=C1 BB31-1180 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 BB52-2371 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 BB52-2369 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 BB31-2814 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 BB31-8939 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 BB31-9335 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 BB31-4870 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 BB32-3351 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(O)=C1 BB31-4259 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.74 OB(O)C1=CC(Cl)=CC(O)=C1 BB31-2176 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.266 C#CC1=CC=CC(B(O)O)=C1 BB31-5196 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.266 C#CC1=CC=CC(C(N)=O)=C1 BB32-3275 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 BB32-2543 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.266 CC(=O)C1=CN=CC(C#N)=C1 BB31-9512 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 BB32-1631 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 BB32-3000 [0,2,0,0,0,0|0,0,0]=2 441 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 BB31-7616 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 BB31-7022 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 BB31-5735 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.266 COC1=CC(C(C)=O)=NC=C1 BB32-3151 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB52-3918 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 BB31-6334 [0,2,0,0,0,0|1,0,0]=3 447 B11R2.10 BrC1=CC2=C(C=CC=C2)N1 BB31-2458 [0,0,0,1,0,1|2,0,0]=4 448 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 BB32-2216 [0,0,0,1,0,1|1,0,0]=3 449 B11R2.10 CC1=NC2=C(C=CN=C2)O1 BB32-3909 [0,0,0,1,0,1|2,0,0]=4 450 B11R2.10 ClC1=NC2=C(N=CC=C2)O1 BB31-3097 [0,0,0,1,0,1|2,0,0]=4 451 B11R2.10 IC1=CC2=C(C=CC=C2)N1 BB31-4420 [0,0,0,1,0,1|2,0,0]=4 452 B11R2.10 IC1=CC2=C(C=CC=C2)S1 BB32-1612 [0,0,0,1,0,1|1,1,0]=4 453 B11R2.10 NC1=NC2=C(C=CN=C2)O1 BB31-0566 [0,0,0,1,0,1|2,0,0]=4 454 B11R2.10 NC1=NC2=CC=CC=C2O1 BB52-8718 [0,0,0,1,0,1|1,0,0]=3 455 B11R2.10 NC1=NC2=CC=CN=C2O1 BB31-7785 [0,0,0,1,0,1|2,0,0]=4 456 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [0,0,0,1,0,1|2,0,0]=4 457 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [0,0,0,1,0,1|2,0,0]=4 458 B11R2.10 O=C1NC2=C(C=NC=C2)O1 BB32-3787 [0,0,0,1,0,1|1,0,0]=3 459 B11R2.10 O=C1O[N+]2=C(C=CC=C2)S1 BB31-5543 [0,0,0,1,0,1|1,0,0]=3 460 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [0,0,0,1,0,1|1,1,0]=4 461 B11R2.10 S=C1NC2=C(N=CC=C2)O1 BB31-3391 [0,0,0,1,0,1|1,1,0]=4 462 B11R2.1 BrC1=COC2=CC=CN=C12 BB31-7324 [0,1,0,1,0,0|2,0,0]=4 463 B11R2.1 CC1=NOC2=C1C=CC=C2 BB31-4705 [0,1,0,1,0,0|1,0,0]=3 464 B11R2.1 ClC1=CNC2=C1C=CC=C2 BB31-3376 [0,1,0,1,0,0|2,0,0]=4 465 B11R2.1 NC1=CNC2=C1C=CC=C2 BB32-3019 [0,1,0,1,0,0|2,0,0]=4 466 B11R2.1 NC1=NOC2=C1C=CN=C2 BB31-0385 [0,1,0,1,0,0|2,0,0]=4 467 B11R2.1 NC1=NOC2=NC=CC=C12 BB52-5781 [0,1,0,1,0,0|2,0,0]=4 468 B11R2.1 O=C1CCC2=C1C=NC=C2 BB31-4897 [0,1,0,1,0,0|2,0,0]=4 469 B11R2.1 O=C1COC2=C1C=CN=C2 BB31-9000 [0,1,0,1,0,0|1,0,0]=3 470 B11R2.1 O=C1CSC2=C1C=CC=C2 BB31-1622 [0,1,0,1,0,0|0,1,0]=3 471 B11R2.1 OC1=NNC2=C1C=NC=C2 BB32-1984 [0,1,0,1,0,0|2,0,0]=4 472 B11R2.1 OC1=NNC2=CC=CN=C21 BB32-2546 [0,1,0,1,0,0|2,0,0]=4 473 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,1,0,1,0,0|1,0,1]=4 474 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,1,0,1,0,0|1,0,1]=4 475 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [0,1,0,1,0,0|1,0,1]=4 476 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 BB31-5402 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.1 O=CC1=CN=CO1 BB31-8199 [1,0,0,0,1,0|2,0,0]=4 478 B7R1.1 O=CC1=NC=CO1 BB31-4873 [1,0,0,0,1,0|2,0,0]=4 479 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,0,2,0|0,0,2]=4 480 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,0,2|2,0,0]=4 481 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,0,2|1,0,0]=3 482 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [0,0,0,0,0,2|1,0,0]=3 483 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [0,0,0,0,0,2|1,0,0]=3 484 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,0,2|1,0,0]=3 485 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,0,2|1,0,0]=3 486 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,0,2|1,0,0]=3 487 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,0,2|1,0,0]=3 488 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,0,2|2,0,0]=4