0 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 CC(O)C1=CN(C)C=N1 C-3678 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC1=CSC(B(O)O)=C1 Q66514 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P50213 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 NC1=CC(C(F)F)=NN1 G-7968 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 O=C(O)C1=CC(Br)=NN1 H-8098 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 O=C(O)C1=CN=C(Cl)S1 O31901 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.35 O=C1C=C(C(=O)O)CC1 O30224 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.35 O=C1NC=C(C(=O)O)N1 O34427 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 L19415 [0,0,0,0,0,0|3,0,1]=4 43 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.1 CC1=CC(C=O)=CS1 L14285 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 CC1=CC(CBr)=NO1 O31840 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 CC1=CC(CCl)=NN1 L20922 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.1 CC1=CN=C(CO)N1 L22216 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=CSC(CO)=C1 Q68378 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.1 CC1=NC(C=O)=CO1 O30450 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 CC1=NC(C=O)=CS1 O30852 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 CC1=NC=C(C=O)S1 O31139 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.1 CCC1=NNC(N)=C1 A-620 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.1 CN1C=C(CO)N=N1 L19537 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.1 COC1=NNC(Br)=C1 Q52304 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.1 NC1=CC(CO)=NN1 F-4006 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.1 NC1=NN=C(C=O)S1 Q70092 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.1 NCC1=NNC(F)=C1 Q52442 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.1 O=CC1=CC(Br)=NN1 Q52203 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 O=CC1=CC(I)=CN1 O30775 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.1 O=CC1=CSC(Br)=C1 L22211 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 O=CC1=CSC(Cl)=C1 G-5623 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 O=CC1=NC=C(Br)S1 G-5715 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.1 O=CC1=NC=C(Cl)S1 G-5979 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.1 OCC1=NNC(Br)=C1 Q62475 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.1 OCC1=NNC(F)=C1 Q52441 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.7 CC(=O)C1=CNC=N1 P51504 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.7 NC(=O)C1=CC=CN1 P38018 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.7 NC(=O)C1=CNC=N1 M15544 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 NC(=O)C1=COC=N1 O34456 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 O=C(Cl)C1=NC=CS1 O31126 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 O=C(O)C1=CC=NS1 P51141 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.7 O=C(O)C1=COC=N1 I-9284 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.7 O=C(O)C1=COCC1 C-2964 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 O=C(O)C1=CSN=C1 L22423 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.7 O=C(O)C1=NN=NN1 F-4828 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [1,0,0,0,0,0|0,0,0]=1 87 B8R1.7 O=C(O)C1=NSC=C1 O30998 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,0,0,0|1,0,2]=4 89 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,0,0,0|1,0,2]=4 90 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.7 OB(O)C1=NNC=C1 P38451 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.14 COC(=O)C1=CC(=O)CC1 O31344 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.14 COC(=O)C1=CC(Br)=CS1 G-5587 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.14 COC(=O)C1=CC(Br)=NO1 M15728 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.14 COC(=O)C1=CC(Cl)=CN1 Q53057 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.14 COC(=O)C1=CC(Cl)=CS1 L22458 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.14 COC(=O)C1=CC(N)=NN1 A-899 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.14 COC(=O)C1=CN(C)C=N1 O30861 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.14 COC(=O)C1=CNC(Br)=C1 A-983 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.14 COC(=O)C1=CSC(C)=N1 O34523 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.14 COC(=O)C1=CSC(Cl)=C1 G-6180 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.14 COC(=O)C1=NC=C(Br)S1 I-9906 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.14 COC(=O)C1=NC=C(C)O1 L13687 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.14 COC(=O)C1=NN(C)C=N1 M15206 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.14 COC(=O)C1=NNC(Br)=N1 M15625 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.14 COC(=O)C1=NNC(Cl)=C1 L21402 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.14 COC(=O)C1=NNC(I)=C1 I-9421 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.31 CCC1=CC(C(=O)O)=NN1 O31066 [0,1,0,0,0,0|0,0,0]=1 109 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.31 CCN1C=C(C(=O)O)C=N1 H-8578 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.31 CCN1C=NC(C(=O)O)=C1 F-4731 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 L19302 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.58 CN1N=C(C(=O)O)C=C1Br H-8090 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.58 CN1N=C(C(=O)O)C=C1N G-5779 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.58 CN1N=C(C(=O)O)C=C1O H-8034 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 O30383 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 P43319 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 F-4528 [0,1,0,0,0,0|0,0,2]=3 120 B10R1.59 CC1=NN(C)C=C1C(=O)O A-648 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.59 CN1C=C(C(=O)O)C(F)=N1 Q60676 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.59 CN1N=C(Br)C=C1C(=O)O H-8430 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.59 CN1N=C(Cl)C=C1C(=O)O G-6869 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.194 CC1=C(C(=O)O)C=NN1C A-649 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.194 CC1=C(C(=O)O)SC=C1Br Q65603 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 O30456 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.194 CC1=C(F)C(C(=O)O)=NN1 Q60917 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.194 CC1=CNC(C(=O)O)=C1C C-3353 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.194 CC1=NC=C(C(=O)O)N1C A-863 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.194 CN1N=CC(C(=O)O)=C1F Q60673 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.194 CN1N=CC(C(=O)O)=C1O Q60572 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.194 CN1N=NC(C(N)=O)=C1N L20249 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 O31832 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 Q70074 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.194 O=C(O)C1=NNC(Cl)=C1Cl F-4538 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.194 O=[N+]([O-])C1=NNC(Br)=C1Br O32674 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,0,1,0,0,0|2,0,1]=4 138 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,0,0,0,1,0|1,0,2]=4 139 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,0,0,0,1,0|1,0,2]=4 140 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,0,0,0,1,0|1,0,2]=4 141 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,0,1,0|1,0,2]=4 142 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,0,1,0|1,0,2]=4 143 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,0,1,0|1,0,2]=4 144 B8R1.31 O=C(O)C1CNC1=O P47917 [0,0,0,0,1,0|2,0,1]=4 145 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,0,0,0,1,0|2,0,1]=4 146 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,0,0,0,1,0|2,0,1]=4 147 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,0,0,0,0,1|2,0,1]=4 149 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 G-7164 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.13 CC(=O)C1=NC=C(F)C=N1 O30210 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,0,0,0,0,1|2,0,1]=4 159 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,0,0,0,0,1|2,0,1]=4 160 B10R1.13 CC1=CC[C@H](C(=O)O)CC1 P49327 [0,0,0,0,0,1|2,0,1]=4 161 B10R1.13 CC1=CN=C(C(=N)N)N=C1 Q51997 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,0,0,0,0,1|1,0,0]=2 163 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,0,0,0,0,1|1,0,0]=2 164 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,0,0,0,0,1|1,0,1]=3 165 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,0,0,0,0,1|2,0,1]=4 170 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,0,0,0,0,1|2,0,1]=4 171 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,0,0,0,0,1|2,0,1]=4 175 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,0,0,0,0,1|1,0,1]=3 176 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,0,0,0,0,1|2,0,1]=4 178 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,0,0,0,0,1|1,0,1]=3 179 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,0,0,0,0,1|2,0,1]=4 180 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,0,0,0,0,1|2,0,1]=4 181 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,0,0,0,0,1|2,0,1]=4 182 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,0,0,0,0,1|2,0,0]=3 189 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,0,0,0,0,1|1,0,1]=3 190 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,0,0,0,0,1|1,0,1]=3 191 B10R1.54 CC1=CN(CC(=O)O)N=C1 S72605 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.54 CN1C=NC(CC(=O)O)=C1 L22317 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.54 O=C(O)CC1=CC(=O)NN1 F-4542 [0,0,0,0,0,1|1,0,1]=3 194 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 G-6000 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.54 O=C(O)CC1=NC=C(O)N1 F-4532 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.54 O=C(O)CC1=NNC(Br)=C1 Q61548 [0,0,0,0,0,1|1,0,0]=2 197 B10R1.54 O=C(O)CN1C=C(F)C=N1 Q60928 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.113 CC(=O)C1=CC(C)=NC=N1 M15580 [0,0,0,0,0,1|1,0,1]=3 200 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.113 CC(=O)C1=NC=CC(C)=N1 Q65344 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P49779 [0,0,0,0,0,1|0,0,1]=2 206 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,0,0,0,0,1|0,0,1]=2 207 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,0,0,0,0,1|1,0,0]=2 208 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [0,0,0,0,0,1|0,0,1]=2 211 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,0,0,0,0,1|2,0,1]=4 216 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 G-6966 [0,0,0,0,0,1|1,0,1]=3 219 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 G-7305 [0,0,0,0,0,1|1,0,1]=3 220 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,0,0,0,0,1|2,0,0]=3 222 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,0,0,0,0,1|2,0,0]=3 225 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.113 O=C1C=C(C(=O)O)NC=N1 Q57219 [0,0,0,0,0,1|1,0,2]=4 228 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.15 C\C=C(/C#N)C(=O)O F-4312 [1,0,1,0,0,0|1,0,1]=4 230 B7R1.1 C=CC1=NNC=C1 L18271 [2,0,0,0,0,0|1,0,0]=3 231 B7R1.1 COC1=NNC=C1 Q61554 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.1 N#CC1=NNC=C1 O30815 [2,0,0,0,0,0|1,0,1]=4 233 B7R1.1 O=CC1=CNN=C1 C-2878 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.1 O=CC1=CNN=C1 G-5044 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.1 O=CC1=COC=N1 K12239 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.1 O=CC1=CSC=N1 Q68013 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.1 O=CC1=NNC=C1 O31194 [2,0,0,0,0,0|0,0,0]=2 238 B7R1.1 OCC1=NNC=C1 G-5586 [2,0,0,0,0,0|0,0,1]=3 239 B7R1.1 OCC1=NOC=C1 G-7175 [2,0,0,0,0,0|1,0,1]=4 240 B7R1.2 BrC1=CC(Br)=NN1 L21299 [2,0,0,0,0,0|2,0,0]=4 241 B7R1.2 CC1=CC(N)=NN1 G-7311 [2,0,0,0,0,0|1,0,0]=3 242 B7R1.2 CC1=NC(=O)NN1 O30153 [2,0,0,0,0,0|1,0,1]=4 243 B7R1.2 CC1=NNC(Br)=C1 O34436 [2,0,0,0,0,0|1,0,1]=4 244 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [2,0,0,0,0,0|1,0,1]=4 245 B7R1.2 CC1=NNC(O)=C1 I-9200 [2,0,0,0,0,0|0,0,2]=4 246 B7R1.2 NC1=CC(Br)=NN1 G-7773 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.2 NC1=CC(Cl)=NN1 G-6962 [2,0,0,0,0,0|2,0,0]=4 248 B7R1.2 NC1=CC(N)=NN1 Q61563 [2,0,0,0,0,0|2,0,0]=4 249 B7R1.2 NC1=NNC(F)=C1 G-7052 [2,0,0,0,0,0|2,0,0]=4 250 B7R1.2 OC1=NSC(Cl)=C1 K10877 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.7 CC1=CN(CC=O)N=C1 Q60296 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.23 CC1=CC(CCl)=NN1C G-6193 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.23 CC1=CC(CN)=NN1C G-7197 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.23 CC1=CC(CO)=NN1C I-9303 [1,1,0,0,0,0|0,0,1]=3 256 B9R1.23 CC1=NC(C=O)=CN1C H-8650 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.132 C(=O)C1=C(C)C(C)=CN1 C-3630 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.11 COC(=O)C1=NC=CS1 P37422 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.11 COC(=O)C1=NNC=C1 P40994 [1,1,0,0,0,0|0,0,0]=2 263 B9R1.19 CS(=O)(=O)C1=NNC=C1 Q64204 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.41 CC1=CNN=C1[N+](=O)[O-] O32501 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.41 CC1=CSC=C1C(=O)O L22411 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [1,1,0,0,0,0|0,0,2]=4 269 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.41 NC1=C(C(=O)O)C=NN1 A-808 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.41 NC1=NSN=C1C(=O)O Q54680 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.41 O=C(O)C1=CNN=C1Br Q61498 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.41 O=C(O)C1=CNNC1=O F-4837 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [1,1,0,0,0,0|0,0,0]=2 279 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,1,0,0,1,0|1,0,1]=4 280 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,1,0,0,0,1|1,0,0]=3 281 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,1,0,0,0,1|1,0,1]=4 282 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,1,0,0,0,1|1,0,0]=3 284 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,1,0,0,0,1|1,0,1]=4 286 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,1,0,0,0,1|0,0,1]=3 287 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,1,0,0,0,1|1,0,1]=4 288 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 P43253 [0,1,0,0,0,1|1,0,1]=4 289 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,1,0,0,0,1|1,0,1]=4 290 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 Q60215 [0,1,0,0,0,1|1,0,1]=4 292 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [0,1,0,0,0,1|1,0,0]=3 293 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [0,1,0,0,0,1|1,0,1]=4 294 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,1,0,0,0,1|1,0,1]=4 295 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [0,1,0,0,0,1|1,0,1]=4 296 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [0,1,0,0,0,1|1,0,1]=4 297 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [0,1,0,0,0,1|1,0,0]=3 299 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [0,1,0,0,0,1|1,0,0]=3 300 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [0,1,0,0,0,1|1,0,0]=3 301 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [0,1,0,0,0,1|1,0,1]=4 303 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [0,1,0,0,0,1|1,0,1]=4 304 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.21 CN1N=C(C(=O)O)C=CC1=O L21788 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=N1 C-2776 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.22 CCC(=O)C1=NC=C(C)C=N1 O29473 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,1,0,0,0,1|1,0,1]=4 317 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,1,0,0,0,1|1,0,1]=4 319 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,1,0,0,0,1|1,0,1]=4 320 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 O30862 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.22 COC(=O)C1=NC=C(F)C=N1 O34307 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.22 COC(=O)C1=NC=C(N)C=N1 C-2775 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.22 COC(=O)C1=NC=C(N)C=N1 G-5008 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.22 COC(=O)C1=NC=C(O)C=N1 Q55461 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,1,0,0,0,1|1,0,1]=4 332 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,1,0,0,0,1|1,0,1]=4 334 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,1,0,0,0,1|1,0,1]=4 336 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [0,1,0,0,0,1|1,0,0]=3 337 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [0,1,0,0,0,1|1,0,0]=3 338 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [0,1,0,0,0,1|1,0,1]=4 342 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,1,0,0,0,1|1,0,1]=4 344 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,1,0,0,0,1|1,0,1]=4 345 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,1,0,0,0,1|1,0,1]=4 346 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,1,0,0,0,1|1,0,1]=4 347 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [0,1,0,0,0,1|1,0,1]=4 348 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl I-9428 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.39 COC(=O)CC1=NNC(C)=C1 P44195 [0,1,0,0,0,1|0,0,0]=2 363 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 O30082 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.23 COC(=O)C1=CC(C)=CN=C1 Q66697 [0,1,0,0,0,1|1,0,0]=3 365 B11R1.23 COC(=O)C1=CC(C)=CN=N1 L22161 [0,1,0,0,0,1|0,0,1]=3 366 B11R1.23 COC(=O)C1=CC(C)CNC1 Q61099 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 G-7304 [0,1,0,0,0,1|1,0,1]=4 368 B11R1.23 COC(=O)C1=CC(F)=CN=C1 C-2951 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.23 COC(=O)C1=CC(N)=NC=N1 I-9515 [0,1,0,0,0,1|1,0,1]=4 370 B11R1.23 COC(=O)C1=CC(O)=CN=C1 P45785 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 E-3030 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M15778 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.23 COC(=O)C1=NC=CC(C)=N1 L14173 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.23 COC(=O)C1=NC=CC(F)=C1 L22462 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.23 COC(=O)C1=NC=CC(N)=C1 G-6744 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M23610 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P44278 [0,1,0,0,0,1|0,0,1]=3 378 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 L14015 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 P37229 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 O31676 [0,1,0,0,0,1|1,0,1]=4 381 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 G-6688 [0,1,0,0,0,1|1,0,1]=4 382 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 O31886 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.74 CC1=CC(C(=O)O)=NC(O)=C1 Q60690 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.74 CC1=CC(C)=NC(C(=O)O)=C1 Q60526 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.74 CC1=CC(C)=NC(C(=O)O)=N1 Q65314 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 O32304 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 P51502 [0,1,0,0,0,1|1,0,1]=4 388 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 Q53661 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.74 NC1=NC(Br)=CC(C(=O)O)=N1 Q53410 [0,1,0,0,0,1|1,0,1]=4 390 B11R1.74 NC1=NC(Cl)=CC(C(=O)O)=N1 Q53411 [0,1,0,0,0,1|1,0,1]=4 391 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 M15195 [0,1,0,0,0,1|1,0,1]=4 392 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 Q62337 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 O30874 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.74 O=C(O)C1=NC(F)=CC(Cl)=C1 Q62427 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.74 O=C(O)C1=NC(F)=CC(F)=C1 Q62424 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O P49354 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.159 CC1=C(C(=O)O)C=NC=C1Br N25194 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.159 CC1=C(C(=O)O)C=NC=C1Cl Q60529 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.159 CC1=C(C(=O)O)C=NC=C1F Q60749 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.159 CC1=C(C)C(C(=O)O)=CC=N1 Q60787 [0,1,0,0,0,1|1,0,1]=4 401 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.159 CC1=NC=CC(C(=O)O)=C1N Q64766 [0,1,0,0,0,1|1,0,1]=4 403 B11R1.159 CC1=NC=NC(C(=O)O)=C1C Q60491 [0,1,0,0,0,1|0,0,1]=3 404 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O L14675 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CN=C1 N26393 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.159 O=C(O)C1=C(Cl)C(F)=CN=C1 N26255 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl S72554 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.159 O=C(O)C1=NC=NC(Cl)=C1F Q53531 [0,1,0,0,0,1|1,0,1]=4 409 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N26923 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 P43289 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 Q60931 [0,1,0,0,0,1|1,0,1]=4 412 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 Q60684 [0,1,0,0,0,1|1,0,1]=4 413 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 Q60686 [0,1,0,0,0,1|1,0,1]=4 414 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 Q51924 [0,1,0,0,0,1|1,0,1]=4 415 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 N24563 [0,1,0,0,0,1|1,0,0]=3 416 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 N25261 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 G-5635 [0,1,0,0,0,1|1,0,1]=4 418 B11R1.167 CC1=NC=C(N)C=C1C(=O)O Q58346 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 O30799 [0,1,0,0,0,1|0,0,1]=3 420 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 O30885 [0,1,0,0,0,1|1,0,0]=3 421 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 G-6804 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.167 NC1=NC=C(F)C=C1C(=O)O L18306 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 Q66324 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 Q67587 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 C-3726 [0,1,0,0,0,1|1,0,1]=4 426 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl C-3392 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O C-3696 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F E-3037 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br O31572 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C-3699 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.167 O=C(O)C1=CC(F)=CN=C1F Q62473 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [0,1,0,0,0,1|0,0,1]=3 439 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 O31274 [0,1,0,0,0,1|1,0,1]=4 441 B11R1.266 NC(=O)C1=CC(CBr)=CN=C1 Q66568 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 Q62435 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.266 NNC1=CC(C(=O)O)=NC=C1 Q62382 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Q60757 [0,1,0,0,0,1|1,0,1]=4 447 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.15 CCOC(=O)C1=CC(=O)NN1 O33329 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.15 CCOC(=O)C1=CN(C)C=N1 P43275 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.15 CCOC(=O)C1=NC=C(C)O1 O32644 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.15 CCOC(=O)C1=NNC(Br)=N1 10612 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.15 CCOC(=O)C1=NNC(Cl)=C1 F-4537 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.15 CCOC(=O)C1=NNC(F)=C1 F-4792 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.15 CCOC(=O)C1=NNC(N)=C1 A-899-1 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.15 CCOC(=O)C1=NNC(O)=C1 O34495 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.44 COC(=O)C1=NOC(CBr)=C1 Q69951 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 O30544 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.226 COC(=O)C1=NN(C)C(=O)C1 L19980 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.226 COC(=O)C1=NN(C)C(N)=C1 Q52069 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.48 CCC1=CC(C(=O)Cl)=NN1C O29416 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.48 CCN1N=C(C(=O)Cl)C=C1C L19812 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.48 COC1=CC(C(=O)O)=NN1C A-685 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 A-684 [0,2,0,0,0,0|0,0,2]=4 464 B11R1.124 CCOC1=CSC(C(=O)O)=C1 O29611 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.124 COCC1=CC(C(=O)O)=NN1 Q60636 [0,2,0,0,0,0|0,0,0]=2 466 B11R1.175 CC(=O)C1=CC(C(=O)O)=NN1 Q62839 [0,2,0,0,0,0|0,0,0]=2 467 B11R1.175 O=C(O)C1=NNC([N+](=O)[O-])=C1 P44621 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.473 CCC1=C(C)C(C(=O)O)=NN1 S72590 [0,2,0,0,0,0|0,0,0]=2 469 B11R1.473 CCC1=C(Cl)C(C(=O)O)=NN1 Q60584 [0,2,0,0,0,0|0,0,0]=2 470 B11R1.473 CCC1=C(F)C(C(N)=O)=NN1 S72589 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.473 COC1=NNC(C(=O)O)=C1C Q60622 [0,2,0,0,0,0|0,0,2]=4 472 B11R1.473 COC1=NNC(C(=O)O)=C1Cl Q60642 [0,2,0,0,0,0|0,0,2]=4 473 B11R1.673 CC1=C(C)C(C(=O)O)=C(I)S1 O32021 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.64 CCC1=C(C)NN=C1C(=O)O Q60633 [0,2,0,0,0,0|0,0,0]=2 475 B11R1.64 O=CC1=C(Cl)NN=C1C(=O)O L18628 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,1,1,0,0|0,0,2]=4 477 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,1,1,0,0|2,0,0]=4 478 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [1,0,0,0,0,1|2,0,0]=4 479 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [1,0,0,0,0,1|1,0,0]=3 480 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [1,0,0,0,0,1|0,0,1]=3 481 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [1,0,0,0,0,1|2,0,0]=4 482 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [1,0,0,0,0,1|1,0,0]=3 483 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,0,0,0,0,1|1,0,1]=4 484 B9R1.2 CC1=CN=NC(CO)=C1 Q56709 [1,0,0,0,0,1|0,0,2]=4 485 B9R1.2 CC1=NC=NC(CO)=C1 G-7256 [1,0,0,0,0,1|0,0,2]=4 486 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [1,0,0,0,0,1|2,0,0]=4 487 B9R1.2 O=CC1=CC(Cl)=NC=N1 Q52806 [1,0,0,0,0,1|1,0,1]=4 488 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [1,0,0,0,0,1|2,0,0]=4 489 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [1,0,0,0,0,1|2,0,0]=4 490 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [1,0,0,0,0,1|2,0,0]=4 491 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [1,0,0,0,0,1|2,0,0]=4 492 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [1,0,0,0,0,1|2,0,0]=4 493 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [1,0,0,0,0,1|1,0,1]=4 494 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [1,0,0,0,0,1|2,0,0]=4 495 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [1,0,0,0,0,1|0,0,2]=4 496 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [1,0,0,0,0,1|2,0,0]=4 497 B9R1.13 O=C(O)CC1=CNN=C1 Q60477 [1,0,0,0,0,1|2,0,0]=4 498 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [1,0,0,0,0,1|2,0,0]=4 499 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [1,0,0,0,0,1|0,0,0]=2 500 B9R1.13 O=C(O)CC1=NNC=N1 G-7884 [1,0,0,0,0,1|1,0,0]=3 501 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 F-4355 [0,0,0,0,0,2|2,0,0]=4 502 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,0,0,0,0,2|2,0,0]=4 503 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,0,0,0,0,2|2,0,0]=4 504 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,0,0,0,0,2|2,0,0]=4 505 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 G-6586 [0,0,0,0,0,2|2,0,0]=4 506 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,0,0,0,0,2|2,0,0]=4 507 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 L14934 [0,0,0,0,0,2|2,0,0]=4 508 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,0,0,0,0,2|1,0,0]=3 509 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,0,0,0,0,2|1,0,0]=3 510 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,0,0,0,0,2|1,0,0]=3 511 B11R1.157 CC1=NC=CC(CC(=O)O)=C1 Q52656 [0,0,0,0,0,2|1,0,1]=4 512 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,0,0,0,0,2|2,0,0]=4 513 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,0,0,0,0,2|2,0,0]=4 514 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,0,0,0,0,2|2,0,0]=4