0 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,0,0,0,0,0|1,0,2]=3 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,0,0,0,0,0|1,0,1]=2 9 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,0,0,0,0,0|1,0,2]=3 10 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 N=C(N)C1=CC=NC=C1 4648AC [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,0,0,0,0,0|0,0,0]=0 15 B9R1.6 NC(=O)C1=CNCCC1 8430AE [0,0,0,0,0,0|0,0,4]=4 16 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 NC(=O)C1CC=CCC1 4123AE [0,0,0,0,0,0|1,0,3]=4 18 B9R1.6 NC(=S)C1=CN=CN=C1 4656AC [0,0,0,0,0,0|1,1,0]=2 19 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 N230 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 OB(O)C1=CN=CN=C1 X3633 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 CNC1=CN=CN=C1 5460AB [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 COC1=CC=NN=C1 Z5489 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 N#CC1=CC=NN=C1 X2036 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 NCC1=CC=NC=C1 Z3385 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 NCC1=CC=NN=C1 X9904 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 NCC1=CN=NC=C1 0175AP [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 NCC1=NN=CC=C1 5795AC [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 NNC1=CC=NC=C1 0864AQ [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 NNC1=NN=CC=C1 5599AB [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 NNC1=NN=CC=C1 X0228 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 O=CC1=CN=NC=C1 7044AB [1,0,0,0,0,0|1,0,0]=2 46 B8R1.2 O=CC1=NC=CC=N1 Y3220 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 O=CC1=NC=CN=C1 X7048 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|1,0,2]=4 49 B8R1.2 OCC1=NC=CN=C1 W7769 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.2 OCC1=NN=CC=C1 W5830 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|0,1,1]=3 52 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.13 CC(=O)C1=CN=C(C)N=C1 4912AJ [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,0,0|1,0,0]=2 58 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,1,0,0,0,0|2,0,1]=4 61 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,1,0,0,0,0|2,0,1]=4 62 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 CC1=CN=C(C(=N)N)C=N1 1246AC [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 CC1=CN=C(C(=N)N)C=N1 2786AA [0,1,0,0,0,0|2,0,0]=3 67 B10R1.13 CC1=NC=C(B(O)O)C=C1 X0926 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.13 CC1=NC=C(B(O)O)C=C1 Z7105 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 CN(N)C1=CC=C(Cl)N=N1 9489AE [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,1,0,0,0,0|2,0,1]=4 73 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 8632AE [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 Z4383 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [0,1,0,0,0,0|1,0,0]=2 80 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.13 NC(=O)C1=NC=C(N)C=N1 8288AB [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,1,0,0,0,0|1,0,0]=2 83 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 3526AJ [0,1,0,0,0,0|0,1,0]=2 84 B10R1.13 NC(=S)C1=CN=C(N)C=C1 7552AB [0,1,0,0,0,0|0,1,0]=2 85 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,0,0|1,0,0]=2 86 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [0,1,0,0,0,0|2,0,0]=3 87 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 9979AB [0,1,0,0,0,0|2,0,0]=3 88 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 Y4602 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 X9187 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 O=[N+]([O-])C1=CN=C(Br)N=C1 X9468 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [0,1,0,0,0,0|3,0,0]=4 93 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,1,0,0,0,0|3,0,0]=4 94 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,1,0,0,0,0|2,0,0]=3 95 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,1,0,0,0,0|2,0,0]=3 96 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,1,0,0,0,0|2,0,1]=4 97 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,1,0,0,0,0|1,0,1]=3 98 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,1,0,0,0,0|1,0,1]=3 99 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,1,0,0,0,0|1,0,2]=4 101 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.15 COC(=O)C1=CN=CN=C1 4090AB [0,1,0,0,0,0|2,0,0]=3 103 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,1,0,0,0,0|2,0,0]=3 105 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,1,0,0,0,0|2,0,1]=4 106 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,1,0,0,0,0|0,0,2]=3 107 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,1,0,0,0,0|0,0,2]=3 108 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,1,0,0,0,0|0,0,0]=1 109 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,1,0,0,0,0|2,0,0]=3 110 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,1,0,0,0,0|0,0,0]=1 111 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,1,0,0,0,0|2,0,1]=4 112 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,0|2,0,1]=4 113 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,1,0,0,0,0|0,0,2]=3 114 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,1,0,0,0,0|0,0,2]=3 115 B10R1.15 NNC(=O)C1=CC=NC=N1 Y5417 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.15 NNC(=O)C1=NC=CC=N1 1217AF [0,1,0,0,0,0|3,0,0]=4 117 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,1,0,0,0,0|3,0,0]=4 118 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,1,0,0,0,0|1,0,0]=2 119 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,1,0,0,0,0|1,0,0]=2 121 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.28 CC(F)(F)C1=CN=CC=C1 9489AC [0,1,0,0,0,0|2,0,1]=4 123 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [0,1,0,0,0,0|3,0,0]=4 124 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 X6787 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,0|3,0,0]=4 126 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [0,1,0,0,0,0|3,0,0]=4 127 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,1,0,0,0,0|3,0,0]=4 128 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [0,1,0,0,0,0|3,0,0]=4 130 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,1,0,0,0,0|1,0,0]=2 131 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,1,0,0,0,0|2,0,0]=3 133 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,1,0,0,0,0|2,0,0]=3 134 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,1,0,0,0,0|2,0,1]=4 135 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,1,0,0,0,0|1,0,2]=4 137 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,1,0,0,0,0|3,0,0]=4 138 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,1,0,0,0,0|2,0,1]=4 139 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,1,0,0,0,0|3,0,0]=4 141 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,1,0,0,0,0|3,0,0]=4 142 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,1,0,0,0,0|2,0,1]=4 144 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,1,0,0,0,0|1,0,2]=4 146 B10R1.61 FC1=NC=CC=C1C(F)F 4047AD [0,1,0,0,0,0|2,0,1]=4 147 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 N=C(N)C1=C(Cl)C=CC=N1 2250AJ [0,1,0,0,0,0|3,0,0]=4 149 B10R1.61 N=C(N)C1=CC=CC=C1Cl 6297AB [0,1,0,0,0,0|2,0,0]=3 150 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 N=C(N)C1=CC=CNC1=O 1879AF [0,1,0,0,0,0|1,0,1]=3 152 B10R1.61 NC1=C(C(=O)O)N=CN=N1 Z5865 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [0,1,0,0,0,0|1,0,0]=2 155 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 Z7729 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 O=[N+]([O-])C1=C(O)N=CN=C1 W4529 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.61 OB(O)C1=C(Br)C=CN=C1 X1325 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 6244AB [0,1,0,0,0,0|2,0,1]=4 159 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 X1531 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.61 OB(O)C1=CN=CC=C1F 3434AC [0,1,0,0,0,0|2,0,1]=4 161 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [0,1,0,0,0,0|3,0,0]=4 163 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,0,0|1,0,0]=2 164 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,1,0,0,0,0|1,0,0]=2 165 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,0,0|2,0,0]=3 166 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [0,1,0,0,0,0|2,1,0]=4 167 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [0,1,0,0,0,0|3,0,0]=4 168 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,1,0,0,0,0|3,0,0]=4 169 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [0,1,0,0,0,0|2,0,1]=4 170 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [0,1,0,0,0,0|2,0,1]=4 171 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,1,0,0,0,0|0,0,1]=2 173 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 Y6539 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [0,1,0,0,0,0|2,0,0]=3 175 B10R1.113 NC(=O)C1=CN=CC(F)=C1 V7403 [0,1,0,0,0,0|0,0,0]=1 176 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,1,0,0,0,0|2,0,0]=3 177 B10R1.113 NC(=S)C1=CC(N)=NC=C1 4163AC [0,1,0,0,0,0|2,1,0]=4 178 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [0,1,0,0,0,0|1,1,0]=3 179 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,1,0,0,0,0|2,0,0]=3 180 B10R1.113 NC1=CN=CC(B(O)O)=C1 2762AA [0,1,0,0,0,0|2,0,1]=4 181 B10R1.113 NC1=CN=CC(B(O)O)=C1 X9784 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,1,0,0,0,0|3,0,0]=4 185 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,0,0|3,0,0]=4 187 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.113 OB(O)C1=CC(O)=CN=C1 3644AA [0,1,0,0,0,0|2,0,1]=4 189 B10R1.113 OB(O)C1=CC(O)=CN=C1 Y2842 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,0,0,0,1,0|3,0,0]=4 191 B8R1.7 CC(=O)C1=CN=NS1 X9965 [0,0,0,0,1,0|3,0,0]=4 192 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,0,1,0|2,0,0]=3 193 B8R1.7 CC(=O)C1=NC=NN1 4769AD [0,0,0,0,1,0|3,0,0]=4 194 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,0,0,0,1,0|2,0,1]=4 195 B8R1.7 CC(N)C1=COC=C1 2007AB [0,0,0,0,1,0|2,0,1]=4 196 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,0,0,0,1,0|2,0,1]=4 197 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,0,0,0,1,0|2,0,1]=4 198 B8R1.7 N=C(N)C1=COC=C1 5391AE [0,0,0,0,1,0|2,0,0]=3 199 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,0,1,0|1,0,0]=2 200 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,0,1,0|0,0,1]=2 201 B8R1.7 NC(=O)C1=CNC=N1 2439AB [0,0,0,0,1,0|1,0,0]=2 202 B8R1.7 NC(=O)C1=CSC=C1 4677AE [0,0,0,0,1,0|1,0,0]=2 203 B8R1.7 NC(=O)[C@@H]1C=CCN1 5249AH [0,0,0,0,1,0|0,0,3]=4 204 B8R1.7 NC(=S)C1=CC=NN1 Y5736 [0,0,0,0,1,0|1,1,0]=3 205 B8R1.7 NC(=S)C1=CN=CS1 Y5427 [0,0,0,0,1,0|1,1,0]=3 206 B8R1.7 NC(=S)C1=CNC=N1 Y4857 [0,0,0,0,1,0|1,1,0]=3 207 B8R1.7 NC(=S)C1=CNN=C1 9870AH [0,0,0,0,1,0|1,1,0]=3 208 B8R1.7 NC(=S)C1=COC=N1 Y5223 [0,0,0,0,1,0|1,1,0]=3 209 B8R1.7 NC(=S)C1=CSC=N1 Y5562 [0,0,0,0,1,0|1,1,0]=3 210 B8R1.7 NC(=S)C1=NC=CN1 9851AH [0,0,0,0,1,0|1,1,0]=3 211 B8R1.7 NC(=S)C1=NC=CO1 4442AJ [0,0,0,0,1,0|1,1,0]=3 212 B8R1.7 NC(=S)C1=NC=CS1 7785AH [0,0,0,0,1,0|1,1,0]=3 213 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,0,0,0,1,0|2,0,0]=3 214 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,1,0|2,0,0]=3 215 B8R1.7 O=C(O)C1=NOC=N1 0830AF [0,0,0,0,1,0|3,0,0]=4 216 B8R1.7 O=C(O)C1=NON=C1 W9121 [0,0,0,0,1,0|3,0,0]=4 217 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,1,0|2,0,0]=3 218 B8R1.7 O=C(O)C1=NSN=C1 4605AH [0,0,0,0,1,0|3,0,0]=4 219 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [0,0,0,0,1,0|2,0,0]=3 220 B8R1.7 O=[N+]([O-])C1=CON=C1 X8994 [0,0,0,0,1,0|3,0,0]=4 221 B8R1.7 O=[N+]([O-])C1=CSN=C1 2791AL [0,0,0,0,1,0|3,0,0]=4 222 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [0,0,0,0,0,1|3,0,0]=4 223 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,0,1|1,0,0]=2 224 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,0,0,0,0,1|2,0,0]=3 225 B10R1.18 CC(=O)NC1=CN=CN=C1 6306AB [0,0,0,0,0,1|2,0,0]=3 226 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,0,1|3,0,0]=4 227 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,0,0,0,0,1|2,0,1]=4 228 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,0,1|2,0,0]=3 229 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,0,0,0,0,1|3,0,0]=4 230 B10R1.18 NC(=S)NC1=CC=CN=C1 9505AD [0,0,0,0,0,1|0,1,0]=2 231 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,0,0,0,0,1|2,1,0]=4 233 B7R1.3 BrC1=CN=NC=C1 Z1972 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.3 ClC1=NN=CC=C1 X0225 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.3 FC1=CN=CN=C1 W7798 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 IC1=CN=CN=C1 W5347 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.3 NC1=CC=CC=C1 7089AL [2,0,0,0,0,0|1,0,0]=3 238 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [2,0,0,0,0,0|1,1,0]=4 239 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.1 C#CC1=CC=C(Cl)N=C1 2313AB [1,1,0,0,0,0|1,0,1]=4 241 B9R1.1 C#CC1=CN=C(F)C=C1 3250AC [1,1,0,0,0,0|1,0,1]=4 242 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.1 CC1=CN=C(CN)C=N1 N635 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [1,1,0,0,0,0|1,0,0]=3 247 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [1,1,0,0,0,0|1,0,1]=4 248 B9R1.1 COC1=CC=C(C)N=C1 8055AB [1,1,0,0,0,0|2,0,0]=4 249 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [1,1,0,0,0,0|1,0,1]=4 251 B9R1.1 N#CC1=CN=C(I)C=C1 V4938 [1,1,0,0,0,0|0,0,2]=4 252 B9R1.1 N#CC1=CN=C(O)C=C1 W9711 [1,1,0,0,0,0|0,0,2]=4 253 B9R1.1 NC1=CC=C(CO)C=N1 U962 [1,1,0,0,0,0|0,0,2]=4 254 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [1,1,0,0,0,0|1,0,1]=4 255 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [1,1,0,0,0,0|1,0,1]=4 257 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [1,1,0,0,0,0|2,0,0]=4 258 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.2 C#CC1=CN=CC(Cl)=C1 X7082 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [1,1,0,0,0,0|1,0,0]=3 262 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [1,1,0,0,0,0|2,0,0]=4 263 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [1,1,0,0,0,0|0,0,2]=4 264 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [1,1,0,0,0,0|0,0,1]=3 265 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,1,0,0,0,0|1,0,0]=3 266 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [1,1,0,0,0,0|2,0,0]=4 267 B9R1.2 COC1=CC(C)=CN=C1 2251AC [1,1,0,0,0,0|2,0,0]=4 268 B9R1.2 COC1=CN=CC(I)=C1 1202AF [1,1,0,0,0,0|2,0,0]=4 269 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [1,1,0,0,0,0|2,0,0]=4 270 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [1,1,0,0,0,0|1,0,1]=4 271 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [1,1,0,0,0,0|1,0,1]=4 273 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|0,0,2]=4 275 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [1,1,0,0,0,0|0,0,1]=3 278 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [1,1,0,0,0,0|1,0,1]=4 279 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [1,1,0,0,0,0|0,0,2]=4 280 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [1,1,0,0,0,0|0,0,0]=2 282 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [1,1,0,0,0,0|0,0,0]=2 284 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [1,1,0,0,0,0|1,0,0]=3 285 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|0,0,2]=4 287 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [1,1,0,0,0,0|0,0,2]=4 288 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,1,0,0,0,0|1,0,1]=4 289 B9R1.8 CNCC1=NC=CN=C1 X9439 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,1,0,0,0,0|2,0,0]=4 292 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,1,0,0,0,0|1,0,1]=4 293 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,1,0,0,0,0|1,0,1]=4 294 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.8 NNCC1=CN=CN=C1 2736AD [1,1,0,0,0,0|1,0,1]=4 296 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,1,0,0,0,0|0,0,1]=3 297 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,1,0,0,0,0|0,0,1]=3 298 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,1,0,0,0,0|2,0,0]=4 299 B9R1.15 C(=O)C1=CNC=CC1=O KMA0001 [1,1,0,0,0,0|0,0,1]=3 300 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,1,0,0,0,0|2,0,0]=4 301 B9R1.15 C=CC1=CC=CC=C1N Y8954 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [1,1,0,0,0,0|1,0,0]=3 305 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [1,1,0,0,0,0|2,0,0]=4 306 B9R1.15 CC1=NC=CC=C1CCl 8680AB [1,1,0,0,0,0|1,0,1]=4 307 B9R1.15 CC1=NC=CC=C1CN 8679AB [1,1,0,0,0,0|0,0,1]=3 308 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [1,1,0,0,0,0|1,0,1]=4 309 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,1,0,0,0,0|1,0,1]=4 310 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,1,0,0,0,0|1,0,1]=4 311 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.15 CNC1=CC=CN=C1N 8234AB [1,1,0,0,0,0|2,0,0]=4 313 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.15 N#CC1=C(Br)C=CN=C1 B519 [1,1,0,0,0,0|0,0,2]=4 317 B9R1.15 N#CC1=C(I)N=CC=C1 V6164 [1,1,0,0,0,0|0,0,2]=4 318 B9R1.15 N#CC1=C(N)C=CN=C1 Y7671 [1,1,0,0,0,0|0,0,2]=4 319 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [1,1,0,0,0,0|2,0,0]=4 320 B9R1.15 NC1=C(C=O)C=NC=N1 8310AA [1,1,0,0,0,0|1,0,0]=3 321 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [1,1,0,0,0,0|1,0,1]=4 323 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.15 NC1=CN=CC=C1C=O 3083AA [1,1,0,0,0,0|2,0,0]=4 325 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [1,1,0,0,0,0|1,0,1]=4 326 B9R1.15 NCC1=CC=CC=C1N W5201 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [1,1,0,0,0,0|0,0,1]=3 328 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [1,1,0,0,0,0|2,0,0]=4 329 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [1,1,0,0,0,0|1,0,0]=3 330 B9R1.15 O=CC1=CN=CC=C1Br W3357 [1,1,0,0,0,0|0,0,0]=2 331 B9R1.15 O=CC1=NC=CC=C1O V2372 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [1,1,0,0,0,0|0,0,2]=4 333 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [1,1,0,0,0,0|0,0,2]=4 334 B9R1.11 CNC(=O)N1C=CN=C1 8667AE [0,1,0,0,1,0|1,0,0]=3 335 B9R1.11 COC(=O)C1=CC=NS1 4171AJ [0,1,0,0,1,0|2,0,0]=4 336 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.11 COC(=O)C1=COC=N1 8746AA [0,1,0,0,1,0|2,0,0]=4 338 B9R1.11 CSC(=O)C1=CSC=N1 V9051 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,1,0,0,1,0|1,0,1]=4 340 B9R1.11 N#CC(=O)C1=CC=CS1 6481AE [0,1,0,0,1,0|1,0,1]=4 341 B9R1.11 NNC(=O)C1=CC=NN1 8723AD [0,1,0,0,1,0|1,0,0]=3 342 B9R1.11 NNC(=O)C1=CN=CS1 Y6785 [0,1,0,0,1,0|1,0,0]=3 343 B9R1.11 NNC(=O)C1=CNN=C1 1289AF [0,1,0,0,1,0|1,0,0]=3 344 B9R1.11 NNC(=O)C1=CNN=N1 9847AH [0,1,0,0,1,0|2,0,0]=4 345 B9R1.11 NNC(=O)C1=CSC=N1 Y5141 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.11 NNC(=O)C1=CSN=N1 2859AE [0,1,0,0,1,0|2,0,0]=4 347 B9R1.11 NNC(=O)C1=NC=CS1 Y7769 [0,1,0,0,1,0|1,0,0]=3 348 B9R1.11 NNC(=O)C1=NOC=N1 2423AE [0,1,0,0,1,0|2,0,0]=4 349 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,1,0,0,1,0|1,0,1]=4 350 B9R1.11 O=C(CBr)C1=CC=CO1 Y7600 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.11 O=C(CBr)C1=CSC=N1 3999AJ [0,1,0,0,1,0|2,0,0]=4 352 B9R1.11 O=C(CBr)C1=NC=CS1 6733AD [0,1,0,0,1,0|2,0,0]=4 353 B9R1.11 O=C(CCl)C1=NC=CO1 1641AJ [0,1,0,0,1,0|2,0,0]=4 354 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,1,0,0,1,0|2,0,0]=4 355 B9R1.11 O=CC(=O)C1=CC=CS1 W3018 [0,1,0,0,1,0|2,0,0]=4 356 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,0,1,0|2,0,0]=4 357 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,1,0,0,1,0|2,0,0]=4 358 B9R1.35 CC(=O)C1=CSC(Cl)=C1 Z0709 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,0,1,0|2,0,0]=4 360 B9R1.35 CC(=O)C1=NC=C(Br)S1 2132AC [0,1,0,0,1,0|2,0,0]=4 361 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.35 CC(=O)C1=NN(C)C=C1 2329AL [0,1,0,0,1,0|2,0,0]=4 363 B9R1.35 CC1=CC(C(N)=S)=NO1 9564AE [0,1,0,0,1,0|1,1,0]=4 364 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,1,0,0,1,0|1,0,1]=4 366 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,1,0,0,1,0|2,0,0]=4 367 B9R1.35 CC1=NC(C(=O)O)=CO1 V4541 [0,1,0,0,1,0|2,0,0]=4 368 B9R1.35 CC1=NC(C(N)=O)=CS1 Y5140 [0,1,0,0,1,0|1,0,0]=3 369 B9R1.35 CC1=NC(C(N)=S)=CS1 W3802 [0,1,0,0,1,0|1,1,0]=4 370 B9R1.35 CC1=NSC(C(=O)O)=C1 7851AE [0,1,0,0,1,0|2,0,0]=4 371 B9R1.35 N=C(N)C1=CC=C(Cl)S1 6827AD [0,1,0,0,1,0|2,0,0]=4 372 B9R1.35 NC(=O)C1=CC(Br)=NO1 4565AA [0,1,0,0,1,0|1,0,0]=3 373 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,1,0,0,1,0|1,0,0]=3 374 B9R1.35 NC(=O)C1=CN=C(N)S1 V6386 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.35 NC(=O)C1=CSC(N)=N1 Z3939 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.35 NC(=O)C1=NNC(Cl)=N1 5398AE [0,1,0,0,1,0|2,0,0]=4 377 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,1,0,0,1,0|2,0,0]=4 378 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,1,0,0,1,0|2,0,0]=4 379 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,1,0,0,1,0|2,0,0]=4 380 B9R1.35 O=C(O)C1=CC(I)=CN1 2020AB [0,1,0,0,1,0|1,0,1]=4 381 B9R1.35 O=C(O)C1=CC=C(Br)N1 2776AB [0,1,0,0,1,0|1,0,1]=4 382 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,1,0,0,1,0|2,0,0]=4 383 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,1,0,0,1,0|2,0,0]=4 384 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,1,0,0,1,0|2,0,0]=4 385 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,1,0,0,1,0|2,0,0]=4 386 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,1,0,0,1,0|2,0,0]=4 387 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,0,1,0|2,0,0]=4 388 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,1,0|2,0,0]=4 389 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,0,1,0|2,0,0]=4 390 B9R1.41 CC(=O)C1=C(C)NN=C1 4180AF [0,1,0,0,1,0|2,0,0]=4 391 B9R1.41 CC(=O)C1=C(C)ON=C1 7411AE [0,1,0,0,1,0|2,0,0]=4 392 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,0,1,0|2,0,0]=4 393 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,1,0,0,1,0|2,0,0]=4 394 B9R1.41 CC1=C(C(=O)Cl)OC=N1 Y9645 [0,1,0,0,1,0|2,0,0]=4 395 B9R1.41 CC1=C(C(=O)O)NC=N1 4426AD [0,1,0,0,1,0|2,0,0]=4 396 B9R1.41 CN1C=CN=C1C(=N)N 0619AF [0,1,0,0,1,0|2,0,0]=4 397 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,1,0,0,1,0|1,0,0]=3 398 B9R1.41 NC(=O)C1=C(N)ON=C1 6396AC [0,1,0,0,1,0|1,0,0]=3 399 B9R1.41 NC(=O)C1=C(O)NC=N1 Q084 [0,1,0,0,1,0|1,0,0]=3 400 B9R1.41 NC1=C(C(=O)O)NC=N1 6671AB [0,1,0,0,1,0|2,0,0]=4 401 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.41 O=C(O)C1=C(Cl)N=CS1 9502AJ [0,1,0,0,1,0|2,0,0]=4 403 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,1,0,0,0,1|2,0,0]=4 406 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,1,0,0,0,1|2,0,0]=4 407 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,0,1|1,0,0]=3 408 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,1,0,0,0,1|2,0,0]=4 409 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,0,1|1,0,0]=3 410 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,0,0,0,1|2,0,0]=4 411 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,1,0,0,0,1|2,0,0]=4 413 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,1|1,0,0]=3 415 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,1,0,0,0,1|1,0,0]=3 416 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,0,1|1,0,0]=3 417 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,1|2,0,0]=4 418 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 HTS033680 [0,1,0,0,0,1|1,0,0]=3 419 B11R1.40 NNC(=O)CC1=CC=CC=N1 7900AE [0,1,0,0,0,1|2,0,0]=4 420 B11R1.40 NNC(=O)CC1=CC=CN=C1 9337AJ [0,1,0,0,0,1|0,0,0]=2 421 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,1,0,0,0,1|1,0,0]=3 423 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,1,0,0,0,1|2,0,0]=4 425 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,0,1|2,0,0]=4 426 B11R1.86 CC(=O)NC1=C(Br)N=CC=C1 8863AJ [0,1,0,0,0,1|1,0,0]=3 427 B11R1.86 CC(=O)NC1=C(Cl)N=CC=C1 7247AD [0,1,0,0,0,1|1,0,0]=3 428 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 Z6416 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,1,0,0,0,1|1,0,0]=3 430 B11R1.86 CC(=O)NC1=CC=CNC1=O 9389AE [0,1,0,0,0,1|1,0,1]=4 431 B11R1.86 CC(=O)NC1=NN=CC=C1C 5765AJ [0,1,0,0,0,1|2,0,0]=4 432 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,1,0,0,0,1|2,0,0]=4 433 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,1,0,0,0,1|2,0,0]=4 434 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,1,0,0,0,1|2,0,0]=4 435 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,1,0,0,0,1|2,0,0]=4 436 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,1,0,0,0,1|2,0,0]=4 438 B11R1.86 NC(=S)NC1=CC=CC=C1Br V6496 [0,1,0,0,0,1|1,1,0]=4 439 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,1,0,0,0,1|1,0,0]=3 440 B11R1.86 O=C(O)CC1=C(Cl)N=CN=C1 5063AB [0,1,0,0,0,1|2,0,0]=4 441 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 8054AF [0,1,0,0,0,1|2,0,0]=4 442 B11R1.157 CC(=O)NC1=NN=CC(C)=C1 5766AJ [0,1,0,0,0,1|2,0,0]=4 443 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 9927AB [0,1,0,0,0,1|2,0,0]=4 444 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 9218AB [0,1,0,0,0,1|2,0,0]=4 445 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 2129AB [0,1,0,0,0,1|1,0,0]=3 446 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 Y8238 [0,1,0,0,0,1|1,1,0]=4 447 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 W9585 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 5858AB [0,2,0,0,0,0|2,0,0]=4 449 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 X2027 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.3 CC(=O)C1=CN=C(C#N)C=N1 5435AC [0,2,0,0,0,0|2,0,0]=4 451 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 2293AB [0,2,0,0,0,0|1,0,0]=3 452 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 7697AB [0,2,0,0,0,0|2,0,0]=4 453 B11R1.3 COC1=CC=C(C(N)=S)C=N1 Y5310 [0,2,0,0,0,0|0,1,0]=3 454 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.3 COC1=NC=C(C(=N)N)C=C1 W4265 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.3 COC1=NC=C(C(N)=O)C=C1 V7449 [0,2,0,0,0,0|0,0,0]=2 457 B11R1.3 CSC1=CC=C(C(=O)Cl)C=C1 0486AQ [0,2,0,0,0,0|2,0,0]=4 458 B11R1.3 CSC1=NC=C([N+](=O)[O-])C=C1 O039 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.3 N#CC1=CC=C(C(=O)O)C=N1 X4351 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.3 O=C(Br)C1=CC=C(CBr)C=C1 Z2833 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 2161AC [0,2,0,0,0,0|1,0,0]=3 462 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=N1 4509AB [0,2,0,0,0,0|2,0,0]=4 463 B11R1.19 NC1=NC=C(S(N)(=O)=O)C=N1 Y4892 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)N=C1 1001AD [0,2,0,0,0,0|1,0,0]=3 465 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 8759AA [0,2,0,0,0,0|2,0,0]=4 466 B11R1.21 CC(=O)C1=CN=C(C)C(C)=N1 7817AB [0,2,0,0,0,0|2,0,0]=4 467 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 2091AJ [0,2,0,0,0,0|1,1,0]=4 468 B11R1.21 CC1=C(C)N=C(C(N)=O)C=N1 4144AB [0,2,0,0,0,0|1,0,0]=3 469 B11R1.21 CC1=C(Cl)N=CC(C(N)=O)=C1 7444AE [0,2,0,0,0,0|0,0,0]=2 470 B11R1.21 CC1=C(F)C=C(C(N)=S)C=C1 5832AD [0,2,0,0,0,0|1,1,0]=4 471 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 5252AH [0,2,0,0,0,0|2,0,0]=4 472 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br Y3916 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.21 CC1=NC=C(C(=O)O)N=C1C 6284AA [0,2,0,0,0,0|2,0,0]=4 474 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 2235AJ [0,2,0,0,0,0|2,0,0]=4 475 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 5315AH [0,2,0,0,0,0|2,0,0]=4 476 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 Y4731 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 2075AJ [0,2,0,0,0,0|2,0,0]=4 478 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 Y6979 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.21 NC(=O)C1=CC(O)=C(O)C=C1 9447AJ [0,2,0,0,0,0|1,0,0]=3 480 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 Z8676 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.21 NC(=O)C1=CC=C(Cl)C(Cl)=C1 8805AD [0,2,0,0,0,0|1,0,0]=3 482 B11R1.21 NC(=O)C1=CC=C(N)C(N)=C1 8382AE [0,2,0,0,0,0|1,0,0]=3 483 B11R1.21 NC(=O)C1=CN=C(Cl)C(Cl)=C1 9219AE [0,2,0,0,0,0|0,0,0]=2 484 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=N1 2971AE [0,2,0,0,0,0|1,0,0]=3 485 B11R1.21 NC1=C(Cl)N=CC(C(=O)O)=C1 V7497 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 5309AE [0,2,0,0,0,0|1,0,0]=3 487 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1N Y8840 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.21 O=C(O)C1=CC(F)=C(F)N=C1 Y4245 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 0275AP [0,2,0,0,0,0|2,0,0]=4 491 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 8820AB [0,2,0,0,0,0|1,0,0]=3 492 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 Z4560 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.21 O=C([O-])C1=CC=C(F)C(F)=C1 3820AL [0,2,0,0,0,0|2,0,0]=4 494 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(I)N=C1 6647AB [0,2,0,0,0,0|2,0,0]=4 495 B11R1.21 O=[N+]([O-])C1=CN=C(Cl)C(I)=C1 5015AH [0,2,0,0,0,0|2,0,0]=4 496 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [0,2,0,0,0,0|2,0,0]=4 497 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 P247 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 6428AA [0,2,0,0,0,0|1,0,0]=3 499 B11R1.22 COC(=O)C1=CN=C(C)N=C1 5600AE [0,2,0,0,0,0|2,0,0]=4 500 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 W5141 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.22 COC(=O)C1=NN=C(N)C=C1 V9902 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 2661AL [0,2,0,0,0,0|1,0,1]=4 503 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 7543AE [0,2,0,0,0,0|1,0,1]=4 504 B11R1.22 N=C(NO)C1=CC=C(N)N=C1 1482AH [0,2,0,0,0,0|1,0,0]=3 505 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,2,0,0,0,0|2,0,0]=4 506 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,2,0,0,0,0|1,0,0]=3 507 B11R1.22 NNC(=O)C1=CC=C(Cl)C=N1 7212AA [0,2,0,0,0,0|2,0,0]=4 508 B11R1.22 NNC(=O)C1=CN=C(N)C=C1 Z3023 [0,2,0,0,0,0|0,0,0]=2 509 B11R1.22 NNC(=O)C1=NC=C(O)C=C1 Z2983 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 W7901 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.22 O=C(CBr)C1=CC=C(Br)N=C1 Y6042 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.22 O=C(CBr)C1=CN=C(Cl)N=C1 0273AA [0,2,0,0,0,0|2,0,0]=4 513 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 5935AC [0,2,0,0,0,0|2,0,0]=4 514 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,2,0,0,0,0|2,0,0]=4 515 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,2,0,0,0,0|2,0,0]=4 517 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 A976 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [0,2,0,0,0,0|2,0,0]=4 519 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 1378AL [0,2,0,0,0,0|2,0,0]=4 520 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 5596AH [0,2,0,0,0,0|2,0,0]=4 521 B11R1.166 CC(=O)C1=C(C)NC(=O)C=C1 4868AE [0,2,0,0,0,0|1,0,1]=4 522 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 5230AB [0,2,0,0,0,0|2,0,0]=4 523 B11R1.166 CC(=O)C1=CC=C(N)C=C1C 4920AB [0,2,0,0,0,0|2,0,0]=4 524 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 2069AF [0,2,0,0,0,0|1,0,0]=3 525 B11R1.166 CC(=O)C1=CNC(=O)N=C1C X9048 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.166 CC1=C(C(=N)N)C=CC(Cl)=C1 1883AF [0,2,0,0,0,0|2,0,0]=4 527 B11R1.166 CC1=C(C(N)=S)C=CC(Cl)=C1 8169AD [0,2,0,0,0,0|1,1,0]=4 528 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O V3028 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 Y8311 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 1357AA [0,2,0,0,0,0|1,0,0]=3 531 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 1620AJ [0,2,0,0,0,0|1,0,0]=3 532 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 2096AL [0,2,0,0,0,0|2,0,0]=4 533 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 0411AC [0,2,0,0,0,0|2,0,0]=4 534 B11R1.166 CC1=NC(Cl)=NC=C1C(=O)O Y5325 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.166 CC1=NC(N)=CC=C1C(=O)O 0478AC [0,2,0,0,0,0|1,0,0]=3 536 B11R1.166 CC1=NC(N)=NC=C1C(=O)O Y4052 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 5812AC [0,2,0,0,0,0|2,0,0]=4 538 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 X9715 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 1881AF [0,2,0,0,0,0|2,0,0]=4 540 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 3281AH [0,2,0,0,0,0|2,0,0]=4 541 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 1384AJ [0,2,0,0,0,0|2,0,0]=4 542 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 4921AH [0,2,0,0,0,0|2,0,0]=4 543 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 5593AH [0,2,0,0,0,0|2,0,0]=4 544 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 5020AH [0,2,0,0,0,0|2,0,0]=4 545 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 1045AA [0,2,0,0,0,0|1,0,0]=3 546 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=N1 2582AB [0,2,0,0,0,0|2,0,0]=4 547 B11R1.166 NC(=O)C1=CN=C(O)C=C1O 6041AJ [0,2,0,0,0,0|0,0,0]=2 548 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N W7761 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.166 NC1=CC(Br)=NC=C1[N+](=O)[O-] Y4181 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.166 NC1=CC(O)=NC=C1C(=O)O Z5190 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.166 NC1=CC(O)=NC=C1[N+](=O)[O-] W9874 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.166 NC1=CC=C([N+](=O)[O-])C(N)=N1 1923AL [0,2,0,0,0,0|2,0,0]=4 553 B11R1.166 NC1=NC(Br)=C([N+](=O)[O-])C=C1 2979AC [0,2,0,0,0,0|2,0,0]=4 554 B11R1.166 NC1=NC(Cl)=NC=C1C(=O)O 2075AC [0,2,0,0,0,0|2,0,0]=4 555 B11R1.166 NC1=NC(F)=CC=C1[N+](=O)[O-] Y9587 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.166 O=C(O)C1=C(Br)C=C(Br)N=C1 1337AC [0,2,0,0,0,0|1,0,0]=3 557 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 3712AA [0,2,0,0,0,0|1,0,0]=3 558 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 3121AC [0,2,0,0,0,0|1,0,0]=3 559 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl 1385AA [0,2,0,0,0,0|1,0,0]=3 560 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Br 1384AA [0,2,0,0,0,0|1,0,0]=3 561 B11R1.166 O=C(O)C1=CC=C(I)C=C1O 8615AA [0,2,0,0,0,0|2,0,0]=4 562 B11R1.166 O=[N+]([O-])C1=CC=C(O)N=C1O W3475 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.166 O=[N+]([O-])C1=CN=C(F)C=C1F 8971AB [0,2,0,0,0,0|2,0,0]=4 564 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,2,0,0,0,0|1,0,1]=4 565 B11R1.16 CCNC(=O)C1=CC=CN=C1 8551AL [0,2,0,0,0,0|0,0,0]=2 566 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [0,2,0,0,0,0|2,0,0]=4 567 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,2,0,0,0,0|1,0,0]=3 568 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [0,2,0,0,0,0|2,0,0]=4 569 B11R1.16 N#CCC(=O)C1=CC=CN=C1 W5295 [0,2,0,0,0,0|0,0,1]=3 570 B11R1.16 N#C\C=C(/N)C1=CC=CC=C1 6118AD [0,2,0,0,0,0|2,0,0]=4 571 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 5678AD [0,2,0,0,0,0|2,0,0]=4 572 B11R1.16 N#C\N=C(/N)C1=NC=CN=C1 8204AC [0,2,0,0,0,0|2,0,0]=4 573 B11R1.23 CC1=CC(C(=O)CN)=CC=C1 0979AC [0,2,0,0,0,0|1,0,0]=3 574 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 5362AH [0,2,0,0,0,0|1,0,1]=4 575 B11R1.23 CNC(=O)C1=NC(Br)=CC=C1 V5271 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 0213AP [0,2,0,0,0,0|2,0,0]=4 577 B11R1.23 COC(=O)C1=CC=CC(S)=C1 8846AE [0,2,0,0,0,0|2,0,0]=4 578 B11R1.23 COC(=O)C1=NC(C)=CN=C1 7130AJ [0,2,0,0,0,0|2,0,0]=4 579 B11R1.23 N#CC(=O)C1=CC(Br)=CC=C1 5306AH [0,2,0,0,0,0|1,0,1]=4 580 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,2,0,0,0,0|1,0,0]=3 581 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.23 NNC(=O)C1=NC(I)=CC=C1 0675AF [0,2,0,0,0,0|2,0,0]=4 583 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 Z2867 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,2,0,0,0,0|2,0,0]=4 585 B11R1.23 O=CC(=O)C1=CC=CC(Br)=C1 X8794 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.222 CC1=C(C(=O)NN)C=CC=N1 6633AD [0,2,0,0,0,0|0,0,0]=2 587 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,2,0,0,0,0|1,0,1]=4 588 B11R1.222 CC1=CC=CC=C1C(=O)C#N S734 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,2,0,0,0,0|2,0,0]=4 591 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,2,0,0,0,0|1,0,0]=3 592 B11R1.222 CNC(=O)C1=CC=CC=C1C 1029AB [0,2,0,0,0,0|1,0,0]=3 593 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 0980AA [0,2,0,0,0,0|1,0,0]=3 594 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 9708AB [0,2,0,0,0,0|1,0,0]=3 595 B11R1.222 COC(=O)C1=C(I)N=CC=C1 V9048 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.222 COC(=O)C1=CC=CN=C1S 9094AE [0,2,0,0,0,0|1,0,0]=3 597 B11R1.222 COC(=O)C1=CC=NN=C1N 7013AJ [0,2,0,0,0,0|2,0,0]=4 598 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,2,0,0,0,0|2,0,0]=4 600 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,2,0,0,0,0|1,0,0]=3 601 B11R1.222 NNC(=O)C1=C(N)C=NC=C1 7290AE [0,2,0,0,0,0|2,0,0]=4 602 B11R1.222 NNC(=O)C1=CC=CN=C1N Y9355 [0,2,0,0,0,0|0,0,0]=2 603 B11R1.222 NNC(=O)C1=NC=CC=C1F 1032AA [0,2,0,0,0,0|2,0,0]=4 604 B11R1.87 NC1=C(S(=O)(=O)O)C=NC=C1 2654AJ [0,2,0,0,0,0|2,0,0]=4 605 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 2192AC [0,2,0,0,0,0|1,0,0]=3 606 B11R1.87 NS(=O)(=O)C1=CC=CN=C1Cl 2022AE [0,2,0,0,0,0|1,0,0]=3 607 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CN=C1 X6727 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.155 NS(=O)(=O)C1=CC(Br)=CN=C1 V6926 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.155 O=S(=O)(Cl)C1=CC(Br)=CN=C1 V9053 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 1385AL [0,2,0,0,0,0|2,0,0]=4 611 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 1775AB [0,2,0,0,0,0|2,0,0]=4 612 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [0,2,0,0,0,0|1,0,0]=3 613 B11R1.53 COC1=C(C(=O)O)C=NC=N1 6197AJ [0,2,0,0,0,0|2,0,0]=4 614 B11R1.53 COC1=C(C(N)=O)C=NC=C1 1526AC [0,2,0,0,0,0|0,0,0]=2 615 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [0,2,0,0,0,0|2,0,0]=4 616 B11R1.53 CSC1=C(C(N)=O)C=CC=N1 Y7856 [0,2,0,0,0,0|0,0,0]=2 617 B11R1.53 CSC1=CC=CC=C1C(C)=O W3214 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 1354AC [0,2,0,0,0,0|1,0,0]=3 619 B11R1.53 NNC1=C(C(=O)O)C=CC=N1 3348AE [0,2,0,0,0,0|1,0,0]=3 620 B11R1.53 O=C(Br)C1=C(CBr)C=CC=C1 2821AE [0,2,0,0,0,0|2,0,0]=4 621 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 1604AB [0,2,0,0,0,0|1,0,0]=3 622 B11R1.53 O=CC1=C([N+](=O)[O-])C=NC=C1 7718AA [0,2,0,0,0,0|2,0,0]=4 623 B11R1.53 O=CC1=NC=CC=C1[N+](=O)[O-] Y6840 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.53 O=[N+]([O-])C1=C(SCl)N=CC=C1 0378AQ [0,2,0,0,0,0|2,0,0]=4 625 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CO 4749AJ [0,2,0,0,0,0|2,0,0]=4 626 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N 8153AB [0,2,0,0,0,0|2,0,0]=4 627 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 4682AA [0,2,0,0,0,0|1,0,0]=3 628 B11R1.156 CC1=C(C(=O)O)C(I)=CC=C1 X8086 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 7646AA [0,2,0,0,0,0|0,0,0]=2 630 B11R1.156 CC1=CC=NC(Br)=C1C(=O)O 0133AC [0,2,0,0,0,0|1,0,0]=3 631 B11R1.156 CC1=CC=NC(C)=C1C(=O)O 1387AJ [0,2,0,0,0,0|1,0,0]=3 632 B11R1.156 CC1=CC=NC(Cl)=C1C(=O)O 6948AA [0,2,0,0,0,0|1,0,0]=3 633 B11R1.156 CC1=CC=NC(F)=C1[N+](=O)[O-] N388 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.156 CC1=NC=CC(Br)=C1C(=O)O 1355AA [0,2,0,0,0,0|1,0,0]=3 635 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 8068AB [0,2,0,0,0,0|1,0,0]=3 636 B11R1.156 CC1=NC=CC(Cl)=C1[N+](=O)[O-] 1489AB [0,2,0,0,0,0|2,0,0]=4 637 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 1411AJ [0,2,0,0,0,0|2,0,0]=4 638 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 1668AJ [0,2,0,0,0,0|2,0,0]=4 639 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1412AJ [0,2,0,0,0,0|2,0,0]=4 640 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1413AJ [0,2,0,0,0,0|2,0,0]=4 641 B11R1.156 NC(=O)C1=C(Cl)N=CC=C1Cl 8467AE [0,2,0,0,0,0|0,0,0]=2 642 B11R1.156 NC(=S)C1=C(F)C=CC=C1F Y6316 [0,2,0,0,0,0|1,1,0]=4 643 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=N1 Z4930 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 5040AB [0,2,0,0,0,0|2,0,0]=4 645 B11R1.156 O=C(O)C1=C(Br)N=CC=C1O Z7668 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.156 O=[N+]([O-])C1=C(Br)C=CN=C1Br Y7250 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.159 CC(=O)C1=C(N)C(Br)=CC=C1 Q602 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.159 CC(=O)C1=CC=CC(O)=C1O X9891 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.159 CC1=C(C(=O)O)C=NC=C1N 3079AJ [0,2,0,0,0,0|1,0,0]=3 650 B11R1.159 CC1=C(O)C(C(N)=O)=CC=C1 5564AJ [0,2,0,0,0,0|1,0,0]=3 651 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 1343AJ [0,2,0,0,0,0|2,0,0]=4 652 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F V8396 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.159 NC(=S)C1=C(Cl)C(Cl)=CC=C1 0542AF [0,2,0,0,0,0|1,1,0]=4 654 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O Z4830 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.159 NC1=CC=CC(C(=O)O)=C1I 0474AQ [0,2,0,0,0,0|2,0,0]=4 656 B11R1.159 NC1=CN=CC([N+](=O)[O-])=C1N 5974AB [0,2,0,0,0,0|2,0,0]=4 657 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl X5086 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.159 O=C(O)C1=CC=CC(O)=C1F Z1094 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl 4093AE [0,2,0,0,0,0|1,0,0]=3 660 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 X7080 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 1794AF [0,2,0,0,0,0|1,0,0]=3 662 B11R1.167 CC(=O)C1=CC(N)=CC=C1F X8360 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 1797AA [0,2,0,0,0,0|1,0,0]=3 664 B11R1.167 CC1=C(C(N)=O)C=[N+](C)C=C1 8765AC [0,2,0,0,0,0|0,0,1]=3 665 B11R1.167 CC1=CC=C(Cl)C=C1C(N)=O Y5855 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 1880AF [0,2,0,0,0,0|2,0,0]=4 667 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 5851AH [0,2,0,0,0,0|2,0,0]=4 668 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 Y3581 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 0380AC [0,2,0,0,0,0|2,0,0]=4 670 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 5799AH [0,2,0,0,0,0|2,0,0]=4 671 B11R1.167 N=C(N)C1=CC(F)=CC=C1F 1401AJ [0,2,0,0,0,0|2,0,0]=4 672 B11R1.167 NC(=O)C1=C(Br)N=CC(Br)=C1 Z1272 [0,2,0,0,0,0|0,0,0]=2 673 B11R1.167 NC(=O)C1=CC(Br)=CN=C1F Z0071 [0,2,0,0,0,0|0,0,0]=2 674 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl Y3868 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.167 NC(=O)C1=CC(Cl)=NN=C1Cl 2606AB [0,2,0,0,0,0|1,0,0]=3 676 B11R1.167 NC(=O)C1=NC(Br)=CC=C1Cl 2973AD [0,2,0,0,0,0|2,0,0]=4 677 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl 0605AA [0,2,0,0,0,0|1,0,0]=3 678 B11R1.167 NC(=O)C1=NC(F)=CN=C1F 4464AB [0,2,0,0,0,0|1,0,0]=3 679 B11R1.167 NC(=S)C1=C(Cl)C=CC(Cl)=C1 8311AE [0,2,0,0,0,0|1,1,0]=4 680 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 Z8105 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.167 O=C(O)C1=C(O)N=CC(F)=C1 4128AC [0,2,0,0,0,0|1,0,0]=3 682 B11R1.167 O=C(O)C1=CC(F)=CN=C1F 0695AF [0,2,0,0,0,0|1,0,0]=3 683 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl 4461AB [0,2,0,0,0,0|2,0,0]=4 684 B11R1.167 O=[N+]([O-])C1=C(F)N=CC(Cl)=C1 N161 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1S V8671 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.167 O=[N+]([O-])C1=CC(I)=CN=C1Br 3188AE [0,2,0,0,0,0|2,0,0]=4 687 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 2098AJ [0,2,0,0,0,0|2,0,0]=4 688 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 8619AB [0,2,0,0,0,0|2,0,0]=4 689 B11R1.74 NC(=O)C1=CC(N)=CC(F)=C1 0881AA [0,2,0,0,0,0|1,0,0]=3 690 B11R1.74 NC(=O)C1=CC(O)=CC(Br)=C1 Z8779 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 5359AJ [0,2,0,0,0,0|2,0,0]=4 692 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 6794AA [0,2,0,0,0,0|2,0,0]=4 693 B11R1.266 CCC1=CC(C(C)=O)=CC=C1 1395AB [0,2,0,0,0,0|2,0,0]=4 694 B11R1.266 CCC1=CC=CC(C(N)=O)=N1 2254AC [0,2,0,0,0,0|2,0,0]=4 695 B11R1.266 CNC1=CN=CC(C(=O)O)=C1 6280AJ [0,2,0,0,0,0|1,0,0]=3 696 B11R1.266 COC1=CC([N+](=O)[O-])=CN=C1 5408AA [0,2,0,0,0,0|2,0,0]=4 697 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.266 CSC1=CC(C(=O)O)=CN=C1 Z0823 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.266 N#CC1=CC(C(=O)O)=CN=C1 4593AC [0,2,0,0,0,0|1,0,0]=3 700 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 6370AA [0,2,0,0,0,0|1,0,0]=3 701 B11R1.266 O=C(Br)C1=CC=CC(CBr)=C1 7128AD [0,2,0,0,0,0|2,0,0]=4 702 B9R1.13 NC(=O)CN1C=CN=C1 0131AC [0,0,1,1,0,0|1,0,1]=4 703 B9R1.69 O=C1NC(Cl)=CC=C1Br 3079AC [0,0,1,1,0,0|2,0,0]=4 704 B11R2.10 BrC1=CC2=C(C=CN=C2)S1 6083AC [0,0,0,1,0,1|1,1,0]=4 705 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 5006AH [0,0,0,1,0,1|2,0,0]=4 706 B11R2.10 BrC1=CC2=C(C=NC=C2)S1 Y4010 [0,0,0,1,0,1|2,0,0]=4 707 B11R2.10 CC1=CC2=C(C=NC=C2)N1 0065AC [0,0,0,1,0,1|2,0,0]=4 708 B11R2.10 CC1=NC2=C(N=CN=C2)N1 Z5362 [0,0,0,1,0,1|2,0,0]=4 709 B11R2.10 ClC1=NC2=C(C=CN=C2)N1 Z2544 [0,0,0,1,0,1|1,0,0]=3 710 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 4909AA [0,0,0,1,0,1|1,0,1]=4 711 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [0,0,0,1,0,1|1,0,1]=4 712 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [0,0,0,1,0,1|1,0,1]=4 713 B11R2.10 ClC1=NC2=NC=CC=C2S1 3260AA [0,0,0,1,0,1|1,0,1]=4 714 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [0,0,0,1,0,1|2,0,0]=4 715 B11R2.10 NC1=CC2=C(C=CC=C2)N1 U958 [0,0,0,1,0,1|2,0,0]=4 716 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,0,1|1,1,0]=4 717 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [0,0,0,1,0,1|1,1,0]=4 718 B11R2.10 NC1=NC2=C(C=CN=C2)O1 Z3900 [0,0,0,1,0,1|0,0,1]=3 719 B11R2.10 NC1=NC2=C(C=NC=C2)S1 X8878 [0,0,0,1,0,1|1,0,0]=3 720 B11R2.10 NC1=NC2=C(C=NC=N2)N1 0404AB [0,0,0,1,0,1|2,0,0]=4 721 B11R2.10 NC1=NC2=C(N=CC=C2)O1 3092AA [0,0,0,1,0,1|0,0,1]=3 722 B11R2.10 NC1=NC2=C(N=CC=C2)S1 3479AB [0,0,0,1,0,1|0,1,0]=3 723 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [0,0,0,1,0,1|1,0,0]=3 724 B11R2.10 NC1=NN2C=CC=NC2=N1 0218AD [0,0,0,1,0,1|2,0,0]=4 725 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [0,0,0,1,0,1|1,0,0]=3 726 B11R2.10 O=C1CC2=C(C=NC=C2)N1 3015AB [0,0,0,1,0,1|1,0,0]=3 727 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [0,0,0,1,0,1|0,0,0]=2 728 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [0,0,0,1,0,1|2,0,0]=4 729 B11R2.10 SC1=NC2=NC=CC=C2S1 V9923 [0,0,0,1,0,1|0,1,1]=4 730 B11R2.1 BrC1=CNC2=C1C=NC=C2 Y8381 [0,1,0,1,0,0|1,0,0]=3 731 B11R2.1 BrC1=CSC2=C1C=NC=C2 Y5372 [0,1,0,1,0,0|1,1,0]=4 732 B11R2.1 BrC1=CSC2=NC=CC=C12 Z4557 [0,1,0,1,0,0|1,1,0]=4 733 B11R2.1 BrC1=NNC2=C1C=NC=C2 W7532 [0,1,0,1,0,0|1,0,0]=3 734 B11R2.1 BrC1=NNC2=NC=CC=C12 Z2701 [0,1,0,1,0,0|1,0,0]=3 735 B11R2.1 CC1=NNC2=NC=CC=C12 SYNMC0922 [0,1,0,1,0,0|1,0,0]=3 736 B11R2.1 ClC1=NNC2=C1C=CC=N2 2394AL [0,1,0,1,0,0|1,0,0]=3 737 B11R2.1 IC1=CNC2=C1C=NC=C2 W9006 [0,1,0,1,0,0|1,0,0]=3 738 B11R2.1 NC1=CNC2=C1C=CC=N2 X8537 [0,1,0,1,0,0|1,0,0]=3 739 B11R2.1 NC1=CNC2=NC=CC=C12 W4084 [0,1,0,1,0,0|1,0,0]=3 740 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,1,0,1,0,0|1,1,0]=4 741 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [0,1,0,1,0,0|2,0,0]=4 742 B11R2.1 NC1=NNC2=CC=NC=C21 4177AC [0,1,0,1,0,0|1,0,0]=3 743 B11R2.1 NC1=NNC2=NC=CN=C12 W8581 [0,1,0,1,0,0|2,0,0]=4 744 B11R2.1 NC1=NOC2=NC=CC=C12 SYNMC0920 [0,1,0,1,0,0|0,0,1]=3 745 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [0,1,0,1,0,0|0,0,1]=3 746 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,1,0,1,0,0|2,0,0]=4 747 B11R2.1 O=C1CCC2=C1C=NC=C2 W6676 [0,1,0,1,0,0|1,0,0]=3 748 B11R2.1 O=C1COC2=C1C=CC=N2 2516AB [0,1,0,1,0,0|1,0,0]=3 749 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,1,0,1,0,0|2,0,0]=4 750 B11R2.1 S=C1SSC2=C1C=CC=N2 4154AB [0,1,0,1,0,0|1,1,0]=4 751 B11R2.40 NC1(C2=CN=CC=C2)CC1 6906AB [0,1,0,1,0,0|1,0,1]=4 752 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,1,0|0,0,2]=4 753 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,1,0|1,0,1]=4 754 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,1,0|1,0,1]=4 755 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|0,0,2]=4 756 B7R1.1 NCC1=CNC=N1 1263AC [1,0,0,0,1,0|1,0,1]=4 757 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,1,0|1,0,1]=4 758 B7R1.1 NCC1=COC=C1 Y9148 [1,0,0,0,1,0|1,0,1]=4 759 B7R1.1 NCC1=COC=N1 Y1477 [1,0,0,0,1,0|1,0,1]=4 760 B7R1.1 NCC1=CON=C1 8978AA [1,0,0,0,1,0|1,0,1]=4 761 B7R1.1 NCC1=CSC=C1 Z3907 [1,0,0,0,1,0|1,0,1]=4 762 B7R1.1 NCC1=CSC=N1 0159AD [1,0,0,0,1,0|1,0,1]=4 763 B7R1.1 NCC1=CSC=N1 8187AA [1,0,0,0,1,0|1,0,1]=4 764 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,0,1,0|1,0,1]=4 765 B7R1.1 NCC1=NOC=C1 3959AJ [1,0,0,0,1,0|1,0,1]=4 766 B7R1.1 NNC1=NC=CS1 3138AB [1,0,0,0,1,0|2,0,0]=4 767 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,0,1,0|1,0,0]=3 768 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,0,1,0|1,0,0]=3 769 B7R1.1 O=CC1=CN=CO1 X9341 [1,0,0,0,1,0|1,0,0]=3 770 B7R1.1 O=CC1=CON=C1 0015AC [1,0,0,0,1,0|1,0,0]=3 771 B7R1.1 O=CC1=CSN=C1 4169AJ [1,0,0,0,1,0|1,0,0]=3 772 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,1,0|1,0,0]=3 773 B7R1.1 O=CC1=NNC=N1 9849AH [1,0,0,0,1,0|2,0,0]=4 774 B7R1.1 O=CC1=NOC=C1 4723AC [1,0,0,0,1,0|1,0,0]=3 775 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,0,2|2,0,0]=4 776 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,2|2,0,0]=4 777 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,2|2,0,0]=4 778 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,0,0,0,0,2|2,0,0]=4 779 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,0,0,0,0,2|2,0,0]=4 780 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,2|2,0,0]=4 781 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,0,0,0,0,2|2,0,0]=4 782 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,2|2,0,0]=4 783 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,0,2|1,0,0]=3 784 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,0,2|1,0,0]=3 785 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,0,2|2,0,0]=4 786 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CN=C1 Y6136 [0,0,0,0,0,2|2,0,0]=4