0 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,0,0,0,0,0|4,0,0]=4 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|3,0,0]=3 6 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 N=C(N)C1=CC=NC=C1 4648AC [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 NC(=S)C1=CN=CN=C1 4656AC [0,0,0,0,0,0|3,1,0]=4 18 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,0,0,0|1,0,3]=4 21 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,0,0,0,0|1,0,3]=4 22 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,0,0|0,0,2]=2 23 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,0,0|1,1,0]=2 24 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,0,0,0,0,0|0,0,1]=1 25 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 N230 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.6 OB(O)C1=CN=CN=C1 X3633 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 CC[N+]1=CC=CC=C1 E438 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 FCC1=CC=NC=C1 2557AL [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|1,0,1]=3 36 B8R1.2 NCC1=CC=NC=C1 Z3385 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 NNC1=CC=NC=C1 0864AQ [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 O=CC1=CN=NC=C1 7044AB [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 O=CC1=NC=CC=N1 Y3220 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 O=CC1=NC=CN=C1 X7048 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 OCC1=NC=CN=C1 W7769 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 OCC1=NN=CC=C1 W5830 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|1,1,1]=4 46 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,0,0|1,0,0]=2 49 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 CC(=O)C1=CN=C(C)N=C1 4912AJ [0,1,0,0,0,0|3,0,0]=4 51 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,1,0,0,0,0|2,0,1]=4 55 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,1,0,0,0,0|2,0,1]=4 56 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,1,0,0,0,0|1,0,1]=3 57 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,0,0|0,0,1]=2 58 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,1,0,0,0,0|2,0,1]=4 60 B10R1.13 CC1=CN=C(B(O)O)C=C1 X0752 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.13 CC1=CN=C(B([O-])O)C=C1 X1550 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC1=NC=C(B(O)O)C=C1 X0926 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 CC1=NC=C(B(O)O)C=C1 Z7105 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,1,0,0,0,0|2,0,1]=4 68 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,1,0,0,0,0|1,0,1]=3 71 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 V5501 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 Z4383 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [0,1,0,0,0,0|3,0,0]=4 77 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.13 NC(=O)C1=NC=C(N)C=N1 8288AB [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,1,0,0,0,0|3,0,0]=4 80 B10R1.13 NC(=S)C1=CN=C(Cl)C=C1 3526AJ [0,1,0,0,0,0|2,1,0]=4 81 B10R1.13 NC(=S)C1=CN=C(N)C=C1 7552AB [0,1,0,0,0,0|2,1,0]=4 82 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,0,0|1,0,0]=2 83 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [0,1,0,0,0,0|0,0,1]=2 84 B10R1.13 NC1=CC=C(C(F)F)C=C1 Z1981 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 9979AB [0,1,0,0,0,0|2,0,0]=3 87 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 Y4602 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [0,1,0,0,0,0|1,0,0]=2 89 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [0,1,0,0,0,0|1,0,0]=2 90 B10R1.13 OB(O)C1=NC=C(F)C=C1 V9453 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,1,0,0,0,0|1,0,1]=3 92 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,1,0,0,0,0|1,0,1]=3 93 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,1,0,0,0,0|2,0,0]=3 94 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,1,0,0,0,0|1,0,0]=2 95 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,1,0,0,0,0|3,0,0]=4 96 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,1,0,0,0,0|2,0,1]=4 97 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,1,0,0,0,0|2,0,1]=4 98 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,1,0,0,0,0|1,0,1]=3 99 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,1,0,0,0,0|1,0,1]=3 100 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.15 COC(=N)C1=CC=NC=C1 4422AB [0,1,0,0,0,0|2,0,0]=3 102 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,1,0,0,0,0|3,0,0]=4 103 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.15 COC(=O)C1=CN=CN=C1 4090AB [0,1,0,0,0,0|2,0,0]=3 105 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,1,0,0,0,0|1,0,1]=3 106 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,1,0,0,0,0|2,0,0]=3 108 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,1,0,0,0,0|2,0,1]=4 109 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,1,0,0,0,0|2,0,1]=4 110 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,1,0,0,0,0|2,0,1]=4 111 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [0,1,0,0,0,0|2,0,1]=4 113 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,1,0,0,0,0|2,0,0]=3 114 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,1,0,0,0,0|2,0,0]=3 116 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,1,0,0,0,0|2,0,1]=4 117 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,0|2,0,1]=4 118 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,1,0,0,0,0|2,0,1]=4 119 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,1,0,0,0,0|2,0,1]=4 120 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [0,1,0,0,0,0|2,0,1]=4 121 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,1,0,0,0,0|2,0,1]=4 122 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.15 NNC(=O)C1=CC=NC=N1 Y5417 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.15 NNC(=O)C1=NC=CC=N1 1217AF [0,1,0,0,0,0|3,0,0]=4 125 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,1,0,0,0,0|2,0,0]=3 126 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,1,0,0,0,0|2,0,0]=3 127 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,1,0,0,0,0|0,0,1]=2 129 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 8822AL [0,1,0,0,0,0|3,0,0]=4 132 B10R1.28 Cl[Ge](Cl)(Cl)C1=CC=CC=C1 8821AL [0,1,0,0,0,0|2,1,0]=4 133 B10R1.28 O=S(=O)(Cl)C1=[NH+]C=CC=C1 Y7048 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 Y9394 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [0,1,0,0,0,0|1,0,1]=3 136 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 X6787 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,0|2,0,0]=3 138 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [0,1,0,0,0,0|2,0,0]=3 139 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 Z4017 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,1,0,0,0,0|2,0,0]=3 141 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [0,1,0,0,0,0|2,0,0]=3 143 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,1,0,0,0,0|2,0,0]=3 144 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,1,0,0,0,0|3,0,0]=4 146 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,1,0,0,0,0|3,0,0]=4 147 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,1,0,0,0,0|2,0,1]=4 148 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,1,0,0,0,0|2,0,1]=4 150 B10R1.61 CC(O)C1=NC=CC=C1F N325 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.61 CC1=C(B(O)O)C=CN=C1 Z7108 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.61 CC1=C(B([O-])O)N=CC=C1 X1814 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,1,0,0,0,0|3,0,0]=4 154 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,1,0,0,0,0|2,0,1]=4 155 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,1,0,0,0,0|2,0,1]=4 156 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.61 CC1=CC=CN=C1B(O)O V9249 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [0,1,0,0,0,0|3,0,0]=4 161 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,1,0,0,0,0|2,0,0]=3 162 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,1,0,0,0,0|2,0,1]=4 164 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,1,0,0,0,0|2,0,1]=4 166 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [0,1,0,0,0,0|2,0,1]=4 167 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 N=C(N)C1=C(Cl)C=CC=N1 2250AJ [0,1,0,0,0,0|3,0,0]=4 169 B10R1.61 N=C(N)C1=CC=CC=C1Cl 6297AB [0,1,0,0,0,0|2,0,0]=3 170 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,1,0,0,0,0|2,0,0]=3 171 B10R1.61 N=C(N)C1=CC=CNC1=O 1879AF [0,1,0,0,0,0|3,0,0]=4 172 B10R1.61 NC1=C(C(=O)O)N=CN=N1 Z5865 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.61 NC1=C([N+](=O)[O-])C=CN=C1 Z4105 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 Y9704 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [0,1,0,0,0,0|1,0,0]=2 178 B10R1.61 O=C1NC=CC=C1B(O)O 6351AC [0,1,0,0,0,0|2,0,1]=4 179 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 Z7729 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.61 O=[N+]([O-])C1=C(I)C=NC=C1 5896AJ [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 X9895 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 OB(O)C1=C(Br)C=CN=C1 X1325 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 6244AB [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 X1531 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.61 OB(O)C1=CN=CC=C1F 3434AC [0,1,0,0,0,0|2,0,1]=4 186 B10R1.61 OB(O)C1=NC=CC=C1Cl X2960 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [0,1,0,0,0,0|2,0,0]=3 189 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,0,0|2,0,0]=3 190 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,1,0,0,0,0|2,0,0]=3 191 B10R1.113 CC(=O)C1=NC(C)=NC=C1 0456AC [0,1,0,0,0,0|3,0,0]=4 192 B10R1.113 CC(=O)C1=NC(N)=NC=C1 8301AC [0,1,0,0,0,0|3,0,0]=4 193 B10R1.113 CC(O)C1=CC(N)=NC=C1 4164AC [0,1,0,0,0,0|2,0,1]=4 194 B10R1.113 CC1=CC(C(=O)O)=NC=N1 6686AA [0,1,0,0,0,0|2,0,0]=3 195 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,0,0|2,0,0]=3 196 B10R1.113 CC1=CC(C(N)=S)=NC=C1 5196AD [0,1,0,0,0,0|2,1,0]=4 197 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [0,1,0,0,0,0|3,0,0]=4 198 B10R1.113 CC1=CC=CC(B(O)O)=N1 X0753 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.113 CC1=CC=CC(B([O-])O)=N1 X1799 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [0,1,0,0,0,0|2,0,1]=4 201 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,1,0,0,0,0|1,0,1]=3 202 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,1,0,0,0,0|3,0,0]=4 203 B10R1.113 CN(C)C1=CC(F)=CC=C1 0769AB [0,1,0,0,0,0|3,0,0]=4 204 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [0,1,0,0,0,0|2,0,1]=4 205 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [0,1,0,0,0,0|2,0,1]=4 206 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [0,1,0,0,0,0|1,0,1]=3 207 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,1,0,0,0,0|2,0,0]=3 209 B10R1.113 FC1=CC(C(Br)Br)=CC=C1 O150 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.113 FC1=CC=CC(C(F)F)=C1 8582AD [0,1,0,0,0,0|2,0,1]=4 211 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 Y6539 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [0,1,0,0,0,0|2,0,0]=3 213 B10R1.113 NC(=O)C1=CN=CC(F)=C1 V7403 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,1,0,0,0,0|2,0,0]=3 215 B10R1.113 NC(=S)C1=CC(N)=NC=C1 4163AC [0,1,0,0,0,0|2,1,0]=4 216 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [0,1,0,0,0,0|1,1,0]=3 217 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,1,0,0,0,0|0,0,1]=2 218 B10R1.113 NC1=CC=CC(C(F)F)=C1 4695AB [0,1,0,0,0,0|2,0,1]=4 219 B10R1.113 NC1=CN=CC(B(O)O)=C1 2762AA [0,1,0,0,0,0|2,0,1]=4 220 B10R1.113 NC1=CN=CC(B(O)O)=C1 X9784 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.113 NC1=NC=CC(B(O)O)=C1 5037AC [0,1,0,0,0,0|2,0,1]=4 222 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 R734 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.113 NC1=NC=NC(C(=O)O)=C1 W5896 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,1,0,0,0,0|1,0,0]=2 228 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,0,0|1,0,1]=3 230 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.113 O=[N+]([O-])C1=CC(O)=NC=C1 X6066 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.113 OB(O)C1=CC(O)=CN=C1 3644AA [0,1,0,0,0,0|2,0,1]=4 233 B10R1.113 OB(O)C1=CC(O)=CN=C1 Y2842 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.113 OB(O)C1=CC(O)=NC=C1 V8891 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.113 OB(O)C1=NC(Br)=CC=C1 X0802 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.113 OB(O)C1=NC(F)=CC=C1 V9108 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 W8932 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,0,1,0|2,0,0]=3 239 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,0,0,0,1,0|2,0,1]=4 240 B8R1.7 CC(O)C1=COC=C1 3660AD [0,0,0,0,1,0|2,0,1]=4 241 B8R1.7 N=C(N)C1=COC=C1 5391AE [0,0,0,0,1,0|3,0,0]=4 242 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,0,1,0|3,0,0]=4 243 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,0,1,0|2,0,0]=3 244 B8R1.7 NC(=O)C1=CNC=N1 2439AB [0,0,0,0,1,0|3,0,0]=4 245 B8R1.7 NC(=O)C1=CSC=C1 4677AE [0,0,0,0,1,0|2,0,0]=3 246 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,0,0,0,1,0|2,0,0]=3 247 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,1,0|2,0,0]=3 248 B8R1.7 O=C(O)C1=NOC=N1 0830AF [0,0,0,0,1,0|3,0,0]=4 249 B8R1.7 O=C(O)C1=NON=C1 W9121 [0,0,0,0,1,0|3,0,0]=4 250 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,1,0|2,0,0]=3 251 B8R1.7 O=C(O)C1=NSN=C1 4605AH [0,0,0,0,1,0|3,0,0]=4 252 B8R1.7 O=C(O)C1C=CCN1 0852AE [0,0,0,0,1,0|1,0,2]=4 253 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,0,0,0,1,0|1,0,2]=4 254 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [0,0,0,0,1,0|2,0,1]=4 255 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [0,0,0,0,0,1|2,0,0]=3 256 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,0,1|2,0,0]=3 257 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,0,0,0,0,1|3,0,0]=4 258 B10R1.18 CC(=O)NC1=CN=CN=C1 6306AB [0,0,0,0,0,1|3,0,0]=4 259 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,0,1|2,0,0]=3 260 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,0,0,0,1|1,0,1]=3 261 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,0,1|2,0,0]=3 262 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,0,0,0,0,1|3,0,0]=4 263 B10R1.18 NC(=S)NC1=CC=CN=C1 9505AD [0,0,0,0,0,1|2,1,0]=4 264 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,0,1|1,0,0]=2 266 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,0,0,0,0,1|1,1,0]=3 267 B7R1.3 C[N+]1=CC=CC=C1 1581AB [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 C[N+]1=CC=CC=C1 K323 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 F[N+]1=CC=CC=C1 4861AL [2,0,0,0,0,0|2,0,0]=4 270 B7R1.3 NC1=CC=CC=C1 7089AL [2,0,0,0,0,0|1,0,0]=3 271 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [2,0,0,0,0,0|0,1,0]=3 272 B9R1.1 C#CC1=CC=C(I)C=C1 1951AC [1,1,0,0,0,0|1,0,1]=4 273 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,1,0,0,0,0|0,1,1]=4 276 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,1,0,0,0,0|1,0,1]=4 278 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 CNC1=CC=C(N)C=C1 F921 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [1,1,0,0,0,0|1,0,1]=4 282 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.1 NC1=CC=C(CO)C=N1 U962 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [1,1,0,0,0,0|1,0,1]=4 286 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [1,1,0,0,0,0|2,0,0]=4 288 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [1,1,0,0,0,0|1,0,1]=4 290 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [1,1,0,0,0,0|2,0,0]=4 291 B9R1.2 C=CC1=CC(Br)=NC=C1 0785AC [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [1,1,0,0,0,0|1,0,0]=3 293 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [1,1,0,0,0,0|1,0,0]=3 298 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [1,1,0,0,0,0|1,0,1]=4 300 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,1,0,0,0,0|0,0,0]=2 302 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [1,1,0,0,0,0|1,0,1]=4 304 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [1,1,0,0,0,0|0,0,0]=2 305 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [1,1,0,0,0,0|1,0,0]=3 306 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [1,1,0,0,0,0|1,0,1]=4 307 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [1,1,0,0,0,0|1,0,1]=4 308 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [1,1,0,0,0,0|1,0,1]=4 309 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [1,1,0,0,0,0|1,0,0]=3 311 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [1,1,0,0,0,0|2,0,0]=4 314 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [1,1,0,0,0,0|1,0,0]=3 315 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|1,0,1]=4 317 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [1,1,0,0,0,0|1,0,1]=4 318 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [1,1,0,0,0,0|0,0,1]=3 319 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [1,1,0,0,0,0|1,0,1]=4 320 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,1,0,0,0,0|1,0,1]=4 321 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,1,0,0,0,0|1,0,0]=3 323 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,1,0,0,0,0|1,0,1]=4 324 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,1,0,0,0,0|1,0,1]=4 325 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,1,0,0,0,0|1,0,0]=3 327 B9R1.8 O\N=C\C1=CC=NC=C1 W9935 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,1,0,0,0,0|1,0,1]=4 329 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [1,1,0,0,0,0|1,0,1]=4 330 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [1,1,0,0,0,0|1,0,1]=4 331 B9R1.15 C(=O)C1=CNC=CC1=O KMA0001 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,1,0,0,0,0|1,0,0]=3 333 B9R1.15 C=CC1=CC=CC=C1N Y8954 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [1,1,0,0,0,0|2,0,0]=4 335 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.15 CC1=CC=CN=C1CO 0931AC [1,1,0,0,0,0|1,0,1]=4 337 B9R1.15 CCC1=CC=CC=C1C Z4941 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.15 CNC1=CC=CC=C1Br 0544AC [1,1,0,0,0,0|2,0,0]=4 339 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [1,1,0,0,0,0|1,0,1]=4 340 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [1,1,0,0,0,0|1,0,0]=3 341 B9R1.15 NC1=C(C=O)C=NC=N1 8310AA [1,1,0,0,0,0|2,0,0]=4 342 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.15 NC1=CN=CC=C1C=O 3083AA [1,1,0,0,0,0|1,0,0]=3 344 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [1,1,0,0,0,0|1,0,1]=4 345 B9R1.15 NCC1=CC=CC=C1N W5201 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [1,1,0,0,0,0|2,0,0]=4 347 B9R1.15 O=CC1=CN=CC=C1Br W3357 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.15 O=CC1=NC=CC=C1O V2372 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [1,1,0,0,0,0|1,0,1]=4 351 B9R1.15 OCC1=NC=CC=C1Br W6721 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.11 COC(=O)C1=CC=NS1 4171AJ [0,1,0,0,1,0|2,0,0]=4 353 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.11 COC(=O)C1=COC=N1 8746AA [0,1,0,0,1,0|2,0,0]=4 355 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,1,0,0,1,0|2,0,0]=4 356 B9R1.11 N#CC(=O)C1=CC=CS1 6481AE [0,1,0,0,1,0|2,0,0]=4 357 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,1,0,0,1,0|2,0,0]=4 358 B9R1.11 O=C(CBr)C1=CC=CO1 Y7600 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,1,0,0,1,0|1,0,1]=4 360 B9R1.11 O=CC(=O)C1=CC=CS1 W3018 [0,1,0,0,1,0|1,0,1]=4 361 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,1,0,0,1,0|2,0,0]=4 363 B9R1.35 CC(=O)C1=CSC(Cl)=C1 Z0709 [0,1,0,0,1,0|2,0,0]=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|1,0,0]=3 366 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=NSC(C(=O)O)=C1 7851AE [0,1,0,0,1,0|2,0,0]=4 369 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,1,0,0,1,0|2,0,0]=4 370 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,1,0,0,1,0|1,0,0]=3 371 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,1,0,0,1,0|2,0,0]=4 372 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,1,0,0,1,0|1,0,0]=3 373 B9R1.35 O=C(O)C1=CC(I)=CN1 2020AB [0,1,0,0,1,0|1,0,0]=3 374 B9R1.35 O=C(O)C1=CC=C(Br)N1 2776AB [0,1,0,0,1,0|1,0,0]=3 375 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,1,0,0,1,0|1,0,0]=3 377 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,1,0,0,1,0|2,0,0]=4 378 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,1,0,0,1,0|2,0,0]=4 379 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,1,0,0,1,0|2,0,0]=4 380 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,0,1,0|2,0,0]=4 381 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,1,0,0,1,0|0,0,2]=4 382 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,1,0|2,0,0]=4 383 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,0,1,0|2,0,0]=4 384 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,1,0,0,1,0|2,0,0]=4 385 B9R1.41 CC1=C(C(=O)O)NC=N1 4426AD [0,1,0,0,1,0|2,0,0]=4 386 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,1,0,0,1,0|2,0,0]=4 387 B9R1.41 NC1=C(C(=O)O)NC=N1 6671AB [0,1,0,0,1,0|2,0,0]=4 388 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,1,0,0,1,0|1,0,0]=3 389 B9R1.41 O=C(O)C1=C(Cl)N=CS1 9502AJ [0,1,0,0,1,0|2,0,0]=4 390 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N473 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,1,0,0,0,1|2,0,0]=4 395 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,1,0,0,0,1|2,0,0]=4 396 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,0,1|1,0,0]=3 397 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,1,0,0,0,1|2,0,0]=4 398 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,0,1|1,0,0]=3 399 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,1,0,0,0,1|1,0,0]=3 400 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 X9387 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 6457AL [0,1,0,0,0,1|1,1,0]=4 402 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,0,0,0,1|1,0,0]=3 404 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,1,0,0,0,1|1,0,0]=3 406 B11R1.36 CC(C(=O)O)C1=NC=CC=N1 1362AH [0,1,0,0,0,1|2,0,0]=4 407 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,1|1,0,0]=3 409 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,1,0,0,0,1|1,0,0]=3 410 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,0,1|1,0,0]=3 411 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,1|0,0,0]=2 412 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 HTS033680 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.40 COC(=O)CC1=CC=NC=C1 7081AJ [0,1,0,0,0,1|1,0,0]=3 414 B11R1.40 NNC(=O)CC1=CC=CC=N1 7900AE [0,1,0,0,0,1|2,0,0]=4 415 B11R1.40 NNC(=O)CC1=CC=CN=C1 9337AJ [0,1,0,0,0,1|2,0,0]=4 416 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,1,0,0,0,1|2,0,0]=4 418 B11R1.40 O=C(CCl)NC1=CC=NC=C1 2552AC [0,1,0,0,0,1|2,0,0]=4 419 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,1,0,0,0,1|0,1,0]=3 421 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,0,1|1,0,0]=3 422 B11R1.86 CC(=O)NC1=C(Br)N=CC=C1 8863AJ [0,1,0,0,0,1|2,0,0]=4 423 B11R1.86 CC(=O)NC1=C(Cl)N=CC=C1 7247AD [0,1,0,0,0,1|2,0,0]=4 424 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 Z3279 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 Z6416 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.86 CC(=O)NC1=CC=CNC1=O 9389AE [0,1,0,0,0,1|2,0,0]=4 428 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,1,0,0,0,1|1,0,0]=3 429 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,1,0,0,0,1|2,0,0]=4 430 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,1,0,0,0,1|2,0,0]=4 431 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,1,0,0,0,1|2,0,0]=4 432 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,1,0,0,0,1|2,0,0]=4 434 B11R1.86 NC(=S)NC1=CC=CC=C1Br V6496 [0,1,0,0,0,1|1,1,0]=4 435 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,1,0,0,0,1|1,0,0]=3 436 B11R1.86 O=C(O)CC1=C(Cl)N=CN=C1 5063AB [0,1,0,0,0,1|2,0,0]=4 437 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 9512AH [0,1,0,0,0,1|2,0,0]=4 438 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 8054AF [0,1,0,0,0,1|1,0,0]=3 439 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 Z6551 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 1694AC [0,1,0,0,0,1|2,0,0]=4 441 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 X7036 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.157 CC1=NC(CC(=O)[O-])=CC=C1 0758AP [0,1,0,0,0,1|1,0,1]=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=CC(O)=NC=N1 8845AC [0,1,0,0,0,1|2,0,0]=4 448 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 W9585 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 X0664 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 5858AB [0,2,0,0,0,0|1,0,0]=3 451 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 5524AD [0,2,0,0,0,0|2,0,0]=4 452 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 X2027 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.3 CCC1=CC=C(C(=O)O)N=C1 2011AC [0,2,0,0,0,0|1,0,0]=3 454 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 2293AB [0,2,0,0,0,0|1,0,0]=3 455 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 7697AB [0,2,0,0,0,0|2,0,0]=4 456 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.3 COC1=NC=C(C(N)=O)C=C1 V7449 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.3 CSC1=CC=C(C(=O)Cl)C=C1 0486AQ [0,2,0,0,0,0|1,0,0]=3 460 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 0356AA [0,2,0,0,0,0|1,0,1]=4 461 B11R1.3 N#CC1=CC=C(C(=O)O)C=N1 X4351 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 1503AC [0,2,0,0,0,0|1,0,1]=4 463 B11R1.3 O=C(Br)C1=CC=C(CBr)C=C1 Z2833 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 2161AC [0,2,0,0,0,0|1,0,0]=3 465 B11R1.3 O=[N+]([O-])C1=CC=C(CS)C=C1 0403AQ [0,2,0,0,0,0|1,0,1]=4 466 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 V5764 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 0487AB [0,2,0,0,0,0|1,0,0]=3 468 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 1016AA [0,2,0,0,0,0|1,0,0]=3 469 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 3478AC [0,2,0,0,0,0|1,0,0]=3 470 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 5497AL [0,2,0,0,0,0|1,0,0]=3 471 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X3142 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 0063AQ [0,2,0,0,0,0|1,0,1]=4 473 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8878AL [0,2,0,0,0,0|1,0,1]=4 474 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 9065AJ [0,2,0,0,0,0|2,0,0]=4 475 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 5137AJ [0,2,0,0,0,0|1,0,1]=4 476 B11R1.19 O=S(=O)(F)C1=CC=C(F)C=C1 N508 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.19 O=S(=O)([O-])C1=CC=C(Br)C=C1 L660 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.19 O=S(=O)([O-])C1=CC=C(Cl)C=C1 L693 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5125AF [0,2,0,0,0,0|1,0,1]=4 480 B11R1.19 O=[As](O)(O)C1=CC=C(O)C=C1 7666AF [0,2,0,0,0,0|1,0,0]=3 481 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)N=C1 1001AD [0,2,0,0,0,0|2,0,0]=4 482 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 8759AA [0,2,0,0,0,0|1,0,0]=3 483 B11R1.21 CC(O)C1=CC(Br)=C(F)C=C1 4966AC [0,2,0,0,0,0|1,0,1]=4 484 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 2091AJ [0,2,0,0,0,0|1,1,0]=4 485 B11R1.21 CC1=C(Cl)N=CC(C(N)=O)=C1 7444AE [0,2,0,0,0,0|2,0,0]=4 486 B11R1.21 CC1=C(F)C=C(C(N)=S)C=C1 5832AD [0,2,0,0,0,0|1,1,0]=4 487 B11R1.21 CC1=CC=C(B(O)O)C=C1Br Z0083 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.21 CC1=CC=C(B(O)O)C=C1O X0622 [0,2,0,0,0,0|1,0,1]=4 489 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 5252AH [0,2,0,0,0,0|2,0,0]=4 490 B11R1.21 CC1=CC=C(C(=O)O)N=C1C 2856AC [0,2,0,0,0,0|1,0,0]=3 491 B11R1.21 CC1=CC=C(C(=O)O)NC1=O 2494AA [0,2,0,0,0,0|1,0,0]=3 492 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 2046AC [0,2,0,0,0,0|2,0,0]=4 493 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br Y3916 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.21 CC1=NC=C(C(=O)O)N=C1C 6284AA [0,2,0,0,0,0|2,0,0]=4 495 B11R1.21 CN1N=C(C(=O)O)C=CC1=O 7070AC [0,2,0,0,0,0|2,0,0]=4 496 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 2235AJ [0,2,0,0,0,0|2,0,0]=4 497 B11R1.21 N=C(N)C1=CC(Cl)=C(F)C=C1 5315AH [0,2,0,0,0,0|2,0,0]=4 498 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 Y4731 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 2075AJ [0,2,0,0,0,0|2,0,0]=4 500 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 Y6979 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.21 NC(=O)C1=CC(O)=C(O)C=C1 9447AJ [0,2,0,0,0,0|1,0,0]=3 502 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 Z8676 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.21 NC(=O)C1=CC=C(Cl)C(Cl)=C1 8805AD [0,2,0,0,0,0|1,0,0]=3 504 B11R1.21 NC(=O)C1=CC=C(N)C(N)=C1 8382AE [0,2,0,0,0,0|1,0,0]=3 505 B11R1.21 NC(=O)C1=CN=C(Cl)C(Cl)=C1 9219AE [0,2,0,0,0,0|2,0,0]=4 506 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=N1 2971AE [0,2,0,0,0,0|1,0,0]=3 507 B11R1.21 NC1=C(Cl)N=CC(C(=O)O)=C1 V7497 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 5309AE [0,2,0,0,0,0|1,0,0]=3 509 B11R1.21 NC1=CC(B(O)O)=CC=C1F V8424 [0,2,0,0,0,0|1,0,1]=4 510 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.21 NC1=CC=C(B(O)O)C=C1F X1927 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 5955AB [0,2,0,0,0,0|1,0,0]=3 513 B11R1.21 O=C(O)C1=CC(F)=C(F)N=C1 Y4245 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 0275AP [0,2,0,0,0,0|0,0,0]=2 515 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 8820AB [0,2,0,0,0,0|1,0,0]=3 516 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 0937AA [0,2,0,0,0,0|1,0,0]=3 517 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 1126AD [0,2,0,0,0,0|1,0,0]=3 518 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 Z4560 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 Y4247 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.21 O=C([O-])C1=CC=C(F)C(F)=C1 3820AL [0,2,0,0,0,0|0,0,1]=3 521 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(O)=C1 0160AB [0,2,0,0,0,0|1,0,1]=4 522 B11R1.21 OB(O)C1=CC=C(Br)C(Br)=C1 Z8666 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.21 OB(O)C1=CC=C(Cl)C(Br)=C1 V2870 [0,2,0,0,0,0|1,0,1]=4 524 B11R1.21 OB(O)C1=CC=C(F)C(Br)=C1 Z7247 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [0,2,0,0,0,0|1,0,0]=3 526 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 P247 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,2,0,0,0,0|1,0,1]=4 528 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,2,0,0,0,0|1,0,1]=4 529 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [0,2,0,0,0,0|2,0,0]=4 530 B11R1.22 COC(=O)C1=CN=C(C)N=C1 5600AE [0,2,0,0,0,0|2,0,0]=4 531 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 W5141 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.22 COC(=O)C1=NC=C(N)C=N1 3573AL [0,2,0,0,0,0|2,0,0]=4 533 B11R1.22 COC(=O)C1=NN=C(N)C=C1 V9902 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,2,0,0,0,0|1,0,1]=4 535 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [0,2,0,0,0,0|1,0,0]=3 536 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 2661AL [0,2,0,0,0,0|1,0,0]=3 537 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 7543AE [0,2,0,0,0,0|1,0,0]=3 538 B11R1.22 N=C(NO)C1=CC=C(N)N=C1 1482AH [0,2,0,0,0,0|2,0,0]=4 539 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,2,0,0,0,0|1,0,0]=3 540 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,2,0,0,0,0|1,0,0]=3 541 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [0,2,0,0,0,0|1,0,1]=4 542 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [0,2,0,0,0,0|1,0,1]=4 544 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,2,0,0,0,0|1,0,1]=4 545 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,2,0,0,0,0|1,0,1]=4 546 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,2,0,0,0,0|1,0,1]=4 547 B11R1.22 NNC(=O)C1=CC=C(Cl)C=N1 7212AA [0,2,0,0,0,0|2,0,0]=4 548 B11R1.22 NNC(=O)C1=CN=C(N)C=C1 Z3023 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.22 NNC(=O)C1=NC=C(O)C=C1 Z2983 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 W7901 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.22 O=C(CBr)C1=CC=C(Br)N=C1 Y6042 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 Y4820 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 5935AC [0,2,0,0,0,0|1,0,0]=3 555 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,2,0,0,0,0|1,0,0]=3 556 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,2,0,0,0,0|0,0,0]=2 558 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 A976 [0,2,0,0,0,0|0,0,1]=3 559 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [0,2,0,0,0,0|0,0,1]=3 560 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,2,0,0,0,0|1,0,1]=4 561 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 9497AJ [0,2,0,0,0,0|1,0,0]=3 562 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 2731AB [0,2,0,0,0,0|1,0,0]=3 563 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 1378AL [0,2,0,0,0,0|1,0,0]=3 564 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 5596AH [0,2,0,0,0,0|1,0,0]=3 565 B11R1.166 CC(=O)C1=C(C)NC(=O)C=C1 4868AE [0,2,0,0,0,0|2,0,0]=4 566 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 5230AB [0,2,0,0,0,0|1,0,0]=3 567 B11R1.166 CC(=O)C1=CC=C(N)C=C1C 4920AB [0,2,0,0,0,0|1,0,0]=3 568 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 2069AF [0,2,0,0,0,0|2,0,0]=4 569 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F Z7758 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.166 CC1=C(C(=N)N)C=CC(Cl)=C1 1883AF [0,2,0,0,0,0|2,0,0]=4 571 B11R1.166 CC1=C(C(N)=S)C=CC(Cl)=C1 8169AD [0,2,0,0,0,0|1,1,0]=4 572 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O V3028 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 Y8311 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 1357AA [0,2,0,0,0,0|1,0,0]=3 575 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 1620AJ [0,2,0,0,0,0|1,0,0]=3 576 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 2096AL [0,2,0,0,0,0|0,0,0]=2 577 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 Y9176 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 2277AJ [0,2,0,0,0,0|1,0,0]=3 579 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 0411AC [0,2,0,0,0,0|2,0,0]=4 580 B11R1.166 CC1=NC(Cl)=NC=C1C(=O)O Y5325 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.166 CC1=NC(N)=CC=C1C(=O)O 0478AC [0,2,0,0,0,0|1,0,0]=3 582 B11R1.166 CC1=NC(N)=NC=C1C(=O)O Y4052 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 5812AC [0,2,0,0,0,0|2,0,0]=4 584 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 X9715 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 1881AF [0,2,0,0,0,0|2,0,0]=4 586 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F 3281AH [0,2,0,0,0,0|2,0,0]=4 587 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 1384AJ [0,2,0,0,0,0|2,0,0]=4 588 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 4921AH [0,2,0,0,0,0|2,0,0]=4 589 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1F 5593AH [0,2,0,0,0,0|2,0,0]=4 590 B11R1.166 N=C(N)C1=CC=C(F)C=C1Cl 5020AH [0,2,0,0,0,0|2,0,0]=4 591 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 1045AA [0,2,0,0,0,0|1,0,0]=3 592 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=N1 2582AB [0,2,0,0,0,0|2,0,0]=4 593 B11R1.166 NC(=O)C1=CN=C(O)C=C1O 6041AJ [0,2,0,0,0,0|2,0,0]=4 594 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N W7761 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 6294AC [0,2,0,0,0,0|1,0,1]=4 596 B11R1.166 NC1=CC(O)=NC=C1C(=O)O Z5190 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.166 NC1=NC(Cl)=NC=C1C(=O)O 2075AC [0,2,0,0,0,0|2,0,0]=4 598 B11R1.166 O=C(O)C1=C(Br)C=C(Br)N=C1 1337AC [0,2,0,0,0,0|1,0,0]=3 599 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 3712AA [0,2,0,0,0,0|1,0,0]=3 600 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 3121AC [0,2,0,0,0,0|1,0,0]=3 601 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl 1385AA [0,2,0,0,0,0|1,0,0]=3 602 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Br 1384AA [0,2,0,0,0,0|1,0,0]=3 603 B11R1.166 O=C(O)C1=CC=C(I)C=C1O 8615AA [0,2,0,0,0,0|0,0,0]=2 604 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 2655AA [0,2,0,0,0,0|1,0,0]=3 605 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F Y8203 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl 5397AA [0,2,0,0,0,0|1,0,0]=3 607 B11R1.166 O=[N+]([O-])C1=C(I)C=C(Br)C=C1 4127AB [0,2,0,0,0,0|1,0,1]=4 608 B11R1.166 O=[N+]([O-])C1=CC=C(I)C=C1F V5003 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.166 OB(O)C1=CC=C(Br)C=C1Cl Y3588 [0,2,0,0,0,0|1,0,1]=4 610 B11R1.166 OB(O)C1=CC=C(F)C=C1O V1926 [0,2,0,0,0,0|1,0,1]=4 611 B11R1.166 OB(O)C1=CC=C(O)C=C1F Z0159 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [0,2,0,0,0,0|1,0,1]=4 613 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,2,0,0,0,0|1,0,1]=4 614 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,2,0,0,0,0|0,0,2]=4 615 B11R1.12 NCC(CO)C1=CC=CC=C1 2344AL [0,2,0,0,0,0|1,0,1]=4 616 B11R1.16 CCNC(=O)C1=CC=CN=C1 8551AL [0,2,0,0,0,0|2,0,0]=4 617 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [0,2,0,0,0,0|2,0,0]=4 618 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,2,0,0,0,0|0,0,0]=2 619 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [0,2,0,0,0,0|1,0,0]=3 622 B11R1.16 N#CCC(=O)C1=CC=CN=C1 W5295 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.16 N#C\C=C(/N)C1=CC=CC=C1 6118AD [0,2,0,0,0,0|2,0,0]=4 624 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 5678AD [0,2,0,0,0,0|2,0,0]=4 625 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [0,2,0,0,0,0|1,0,1]=4 626 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [0,2,0,0,0,0|1,0,1]=4 627 B11R1.23 CC1=CC(C(=O)CN)=CC=C1 0979AC [0,2,0,0,0,0|1,0,0]=3 628 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 5362AH [0,2,0,0,0,0|1,0,0]=3 629 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [0,2,0,0,0,0|1,0,1]=4 630 B11R1.23 CNC(=O)C1=NC(Br)=CC=C1 V5271 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 0213AP [0,2,0,0,0,0|2,0,0]=4 632 B11R1.23 COC(=O)C1=CC=CC(S)=C1 8846AE [0,2,0,0,0,0|0,0,0]=2 633 B11R1.23 COC(=O)C1=NC(C)=CN=C1 7130AJ [0,2,0,0,0,0|2,0,0]=4 634 B11R1.23 COC(=O)C1=NC(I)=CC=C1 0627AF [0,2,0,0,0,0|1,0,0]=3 635 B11R1.23 COC(=O)C1=NC(N)=CC=N1 1094AC [0,2,0,0,0,0|2,0,0]=4 636 B11R1.23 N#CC(=O)C1=CC(Br)=CC=C1 5306AH [0,2,0,0,0,0|1,0,0]=3 637 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 3155AH [0,2,0,0,0,0|1,0,1]=4 638 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,2,0,0,0,0|1,0,0]=3 639 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [0,2,0,0,0,0|1,0,1]=4 641 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 7584AB [0,2,0,0,0,0|1,0,1]=4 642 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [0,2,0,0,0,0|1,0,1]=4 643 B11R1.23 NC[C@@H](O)C1=CC=CC(Cl)=C1 X5098 [0,2,0,0,0,0|1,0,1]=4 644 B11R1.23 NNC(=O)C1=NC(I)=CC=C1 0675AF [0,2,0,0,0,0|2,0,0]=4 645 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 Z2867 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 N836 [0,2,0,0,0,0|1,0,1]=4 647 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 5465AJ [0,2,0,0,0,0|2,0,0]=4 648 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,2,0,0,0,0|1,0,0]=3 649 B11R1.23 O=CC(=O)C1=CC=CC(Br)=C1 X8794 [0,2,0,0,0,0|0,0,1]=3 650 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,2,0,0,0,0|0,0,2]=4 651 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [0,2,0,0,0,0|1,0,1]=4 652 B11R1.23 O\N=C(/Cl)C1=CC(Br)=CC=C1 9462AJ [0,2,0,0,0,0|1,0,0]=3 653 B11R1.222 CC1=C(C(=O)NN)C=CC=N1 6633AD [0,2,0,0,0,0|2,0,0]=4 654 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,2,0,0,0,0|1,0,1]=4 655 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [0,2,0,0,0,0|1,0,0]=3 656 B11R1.222 CC1=CC=CC=C1C(=O)C#N S734 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,2,0,0,0,0|2,0,0]=4 659 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,2,0,0,0,0|1,0,0]=3 660 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,2,0,0,0,0|2,0,0]=4 661 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.222 CNC(=O)C1=CC=CC=C1C 1029AB [0,2,0,0,0,0|1,0,0]=3 663 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 0980AA [0,2,0,0,0,0|1,0,0]=3 664 B11R1.222 COC(=O)C1=C(C)C=NC=C1 9924AC [0,2,0,0,0,0|1,0,0]=3 665 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 9708AB [0,2,0,0,0,0|1,0,0]=3 666 B11R1.222 COC(=O)C1=C(I)N=CC=C1 V9048 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.222 COC(=O)C1=CC=CN=C1S 9094AE [0,2,0,0,0,0|1,0,0]=3 668 B11R1.222 COC(=O)C1=CC=NN=C1N 7013AJ [0,2,0,0,0,0|2,0,0]=4 669 B11R1.222 COC(=O)C1=CC=NNC1=O 4854AC [0,2,0,0,0,0|2,0,0]=4 670 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.222 N=C(NO)C1=CC=CC=C1Cl 9402AJ [0,2,0,0,0,0|1,0,0]=3 672 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [0,2,0,0,0,0|0,0,0]=2 673 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,2,0,0,0,0|1,0,1]=4 674 B11R1.222 NNC(=O)C1=C(N)C=NC=C1 7290AE [0,2,0,0,0,0|2,0,0]=4 675 B11R1.222 NNC(=O)C1=CC=CN=C1N Y9355 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.222 NNC(=O)C1=NC=CC=C1F 1032AA [0,2,0,0,0,0|2,0,0]=4 677 B11R1.222 O\N=C(/Cl)C1=C(Br)C=CC=C1 9397AJ [0,2,0,0,0,0|1,0,0]=3 678 B11R1.87 CC1=C(S(=O)(=O)O)C=CN=C1 Y3238 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.87 NC1=C(S(=O)(=O)O)C=NC=C1 2654AJ [0,2,0,0,0,0|2,0,0]=4 680 B11R1.87 O=S(=O)(F)C1=C(F)C=CC=C1 5560AJ [0,2,0,0,0,0|1,0,1]=4 681 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 5660AL [0,2,0,0,0,0|1,0,0]=3 682 B11R1.155 CS(=O)(=O)C1=CC(O)=CC=C1 2313AJ [0,2,0,0,0,0|1,0,1]=4 683 B11R1.155 CS(=O)(=O)C1=CC=CC(Cl)=C1 5861AJ [0,2,0,0,0,0|1,0,1]=4 684 B11R1.155 NC1=CC(S(=O)(=O)[O-])=CC=C1 V0480 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.155 O=S(=O)(F)C1=CC(Cl)=CC=C1 0475AQ [0,2,0,0,0,0|1,0,1]=4 686 B11R1.155 O=S(=O)(F)C1=CC=CC(Br)=C1 V6027 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.155 O=S(=O)(O)C1=CC(I)=CC=C1 5350AH [0,2,0,0,0,0|1,0,0]=3 688 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 1385AL [0,2,0,0,0,0|1,0,0]=3 689 B11R1.53 C=CC1=CC=CC=C1B(O)O N996 [0,2,0,0,0,0|1,0,1]=4 690 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 1775AB [0,2,0,0,0,0|1,0,0]=3 691 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [0,2,0,0,0,0|1,0,0]=3 692 B11R1.53 COC1=C(C(=O)O)C=NC=N1 6197AJ [0,2,0,0,0,0|2,0,0]=4 693 B11R1.53 COC1=C(C(N)=O)C=NC=C1 1526AC [0,2,0,0,0,0|2,0,0]=4 694 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [0,2,0,0,0,0|2,0,0]=4 695 B11R1.53 COC1=CC=CC=C1[C@@H](C)O 2322AA [0,2,0,0,0,0|1,0,1]=4 696 B11R1.53 COC1=CC=CC=C1[C@H](C)O 1624AA [0,2,0,0,0,0|1,0,1]=4 697 B11R1.53 CSC1=C(C(N)=O)C=CC=N1 Y7856 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.53 CSC1=CC=CC=C1C(C)=O W3214 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 1354AC [0,2,0,0,0,0|1,0,0]=3 700 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 1346AA [0,2,0,0,0,0|1,0,0]=3 701 B11R1.53 N#CC1=C(C(=O)O)N=CC=C1 7716AB [0,2,0,0,0,0|1,0,0]=3 702 B11R1.53 NNC1=C(C(=O)O)C=CC=N1 3348AE [0,2,0,0,0,0|1,0,0]=3 703 B11R1.53 O=C(Br)C1=C(CBr)C=CC=C1 2821AE [0,2,0,0,0,0|1,0,0]=3 704 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 1604AB [0,2,0,0,0,0|1,0,0]=3 705 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N 8153AB [0,2,0,0,0,0|1,0,0]=3 706 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F 5610AA [0,2,0,0,0,0|2,0,0]=4 707 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 4682AA [0,2,0,0,0,0|2,0,0]=4 708 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl X5513 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.156 CC1=C(C(=O)O)C(I)=CC=C1 X8086 [0,2,0,0,0,0|0,0,0]=2 710 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 7646AA [0,2,0,0,0,0|2,0,0]=4 711 B11R1.156 CC1=CC=NC(Br)=C1C(=O)O 0133AC [0,2,0,0,0,0|1,0,0]=3 712 B11R1.156 CC1=CC=NC(C)=C1C(=O)O 1387AJ [0,2,0,0,0,0|1,0,0]=3 713 B11R1.156 CC1=CC=NC(Cl)=C1C(=O)O 6948AA [0,2,0,0,0,0|1,0,0]=3 714 B11R1.156 CC1=CN=CC(C)=C1C(=O)O 7877AB [0,2,0,0,0,0|1,0,0]=3 715 B11R1.156 CC1=CN=CC(F)=C1C(=O)O 3721AA [0,2,0,0,0,0|1,0,0]=3 716 B11R1.156 CC1=NC=CC(Br)=C1C(=O)O 1355AA [0,2,0,0,0,0|1,0,0]=3 717 B11R1.156 CC1=NC=CC(C)=C1C(=O)O 8068AB [0,2,0,0,0,0|1,0,0]=3 718 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl 1411AJ [0,2,0,0,0,0|2,0,0]=4 719 B11R1.156 N=C(N)C1=C(F)C=CC=C1Cl 1668AJ [0,2,0,0,0,0|2,0,0]=4 720 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1412AJ [0,2,0,0,0,0|2,0,0]=4 721 B11R1.156 N=C(N)C1=C(F)C=CC=C1F 1413AJ [0,2,0,0,0,0|2,0,0]=4 722 B11R1.156 NC(=O)C1=C(Cl)N=CC=C1Cl 8467AE [0,2,0,0,0,0|2,0,0]=4 723 B11R1.156 NC(=S)C1=C(F)C=CC=C1F Y6316 [0,2,0,0,0,0|1,1,0]=4 724 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=N1 Z4930 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 5040AB [0,2,0,0,0,0|0,0,0]=2 726 B11R1.156 O=C(O)C1=C(Br)N=CC=C1O Z7668 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 7172AB [0,2,0,0,0,0|1,0,0]=3 728 B11R1.156 OB(O)C1=C(O)C=CC=C1O Y5572 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.159 CC(=O)C1=C(N)C(Br)=CC=C1 Q602 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.159 CC(=O)C1=CC=CC(O)=C1O X9891 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.159 CC(O)C1=CC=CC(F)=C1F 4879AJ [0,2,0,0,0,0|1,0,1]=4 732 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O 3708AA [0,2,0,0,0,0|1,0,0]=3 733 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br 1597AJ [0,2,0,0,0,0|1,0,0]=3 734 B11R1.159 CC1=C(C(=O)O)C=NC=C1N 3079AJ [0,2,0,0,0,0|1,0,0]=3 735 B11R1.159 CC1=C(Cl)N=CN=C1C(=O)O 5810AC [0,2,0,0,0,0|2,0,0]=4 736 B11R1.159 CC1=C(O)C(C(N)=O)=CC=C1 5564AJ [0,2,0,0,0,0|1,0,0]=3 737 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 1343AJ [0,2,0,0,0,0|2,0,0]=4 738 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F V8396 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.159 NC(=S)C1=C(Cl)C(Cl)=CC=C1 0542AF [0,2,0,0,0,0|1,1,0]=4 740 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O Z4830 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.159 NC1=CC=CC(C(=O)O)=C1I 0474AQ [0,2,0,0,0,0|0,0,0]=2 742 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 3884AA [0,2,0,0,0,0|1,0,0]=3 743 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl X5086 [0,2,0,0,0,0|0,0,0]=2 744 B11R1.159 O=C(O)C1=CC=CC(O)=C1F Z1094 [0,2,0,0,0,0|0,0,0]=2 745 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl 4093AE [0,2,0,0,0,0|1,0,0]=3 746 B11R1.159 O=C(O)C1=NC=NC(O)=C1O 3047AJ [0,2,0,0,0,0|2,0,0]=4 747 B11R1.159 O=[N+]([O-])C1=C(Br)C(Br)=CC=C1 V4790 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1O 0237AC [0,2,0,0,0,0|1,0,1]=4 749 B11R1.159 OB(O)C1=C(Br)C(Br)=CC=C1 Y2203 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.159 OB(O)C1=CC=CC(Br)=C1Cl 4373AB [0,2,0,0,0,0|1,0,1]=4 751 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 X7080 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl 1794AF [0,2,0,0,0,0|2,0,0]=4 753 B11R1.167 CC(=O)C1=CC(N)=CC=C1F X8360 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 1797AA [0,2,0,0,0,0|1,0,0]=3 755 B11R1.167 CC1=C(C(=O)O)OC(=O)C=C1 3225AB [0,2,0,0,0,0|1,0,0]=3 756 B11R1.167 CC1=C(C(N)=O)C=[N+](C)C=C1 8765AC [0,2,0,0,0,0|2,0,0]=4 757 B11R1.167 CC1=CC=C(Br)C=C1B(O)O X0992 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.167 CC1=CC=C(Cl)C=C1C(N)=O Y5855 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.167 CC1=CC=C(Cl)C=C1[N+](=O)[O-] F313 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 1880AF [0,2,0,0,0,0|2,0,0]=4 761 B11R1.167 CC1=CC=C(F)C=C1C(=N)N 5851AH [0,2,0,0,0,0|2,0,0]=4 762 B11R1.167 CC1=CC=C(N)C(B(O)O)=C1 V9486 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.167 CC1=CC=C(O)C=C1B(O)O Z0157 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.167 CC1=CN=C(Cl)N=C1C(=O)O 5826AC [0,2,0,0,0,0|2,0,0]=4 765 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 Y3581 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.167 CC1=NC(C(=O)O)=C(C)C=C1 2855AC [0,2,0,0,0,0|1,0,0]=3 767 B11R1.167 CC1=NC(C(=O)O)=C(O)C=C1 6892AA [0,2,0,0,0,0|1,0,0]=3 768 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 1633AC [0,2,0,0,0,0|2,0,0]=4 769 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 4148AC [0,2,0,0,0,0|1,0,0]=3 770 B11R1.167 C[C@@H](O)C1=CC(F)=CC=C1F 8345AH [0,2,0,0,0,0|1,0,1]=4 771 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 0380AC [0,2,0,0,0,0|2,0,0]=4 772 B11R1.167 N=C(N)C1=CC(Br)=CC=C1F 5799AH [0,2,0,0,0,0|2,0,0]=4 773 B11R1.167 N=C(N)C1=CC(F)=CC=C1F 1401AJ [0,2,0,0,0,0|2,0,0]=4 774 B11R1.167 NC(=O)C1=C(Br)N=CC(Br)=C1 Z1272 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.167 NC(=O)C1=CC(Br)=CN=C1F Z0071 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl Y3868 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.167 NC(=O)C1=NC(Br)=CC=C1Cl 2973AD [0,2,0,0,0,0|2,0,0]=4 778 B11R1.167 NC(=S)C1=C(Cl)C=CC(Cl)=C1 8311AE [0,2,0,0,0,0|1,1,0]=4 779 B11R1.167 NC1=C(B(O)O)C=C(F)C=C1 X1939 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 Z8105 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.167 NC1=CC(B(O)O)=C(F)C=C1 X1422 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.167 NC1=CC(B(O)O)=C(F)C=C1 X1957 [0,2,0,0,0,0|1,0,1]=4 783 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O X5165 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.167 NC1=CC=C(Cl)C(B(O)O)=C1 Y2790 [0,2,0,0,0,0|1,0,1]=4 785 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=N1 Z6498 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.167 NC1=CC=C(Cl)C=C1B(O)O V9946 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.167 NC1=CC=C(F)C=C1B(O)O Z6722 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 5194AA [0,2,0,0,0,0|1,0,0]=3 789 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 1202AA [0,2,0,0,0,0|1,0,0]=3 790 B11R1.167 O=C(O)C1=C(O)N=CC(F)=C1 4128AC [0,2,0,0,0,0|1,0,0]=3 791 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O 1351AA [0,2,0,0,0,0|1,0,0]=3 792 B11R1.167 O=C(O)C1=CC(F)=CN=C1F 0695AF [0,2,0,0,0,0|1,0,0]=3 793 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl 4461AB [0,2,0,0,0,0|2,0,0]=4 794 B11R1.167 O=C(O)C1=NC(O)=CC=C1Br 3831AA [0,2,0,0,0,0|1,0,0]=3 795 B11R1.167 O=C(O)C1=NC(O)=CC=C1F 9014AB [0,2,0,0,0,0|1,0,0]=3 796 B11R1.167 OB(O)C1=CC(Br)=CC=C1Cl 9606AE [0,2,0,0,0,0|1,0,1]=4 797 B11R1.74 C=C(C)C1=CC(Cl)=CC(Cl)=C1 8134AE [0,2,0,0,0,0|2,0,0]=4 798 B11R1.74 CC(=O)C1=CC(C)=CC(C)=N1 8866AB [0,2,0,0,0,0|2,0,0]=4 799 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 1375AL [0,2,0,0,0,0|2,0,0]=4 800 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4279AD [0,2,0,0,0,0|1,0,0]=3 801 B11R1.74 CC1=CC(B(O)O)=CC(O)=C1 X1826 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 4513AC [0,2,0,0,0,0|1,0,0]=3 803 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 3341AC [0,2,0,0,0,0|1,0,0]=3 804 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=N1 4834AC [0,2,0,0,0,0|2,0,0]=4 805 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 3141AB [0,2,0,0,0,0|1,0,0]=3 806 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 2098AJ [0,2,0,0,0,0|2,0,0]=4 807 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 8619AB [0,2,0,0,0,0|2,0,0]=4 808 B11R1.74 NC(=O)C1=CC(N)=CC(F)=C1 0881AA [0,2,0,0,0,0|1,0,0]=3 809 B11R1.74 NC(=O)C1=CC(O)=CC(Br)=C1 Z8779 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 5359AJ [0,2,0,0,0,0|2,0,0]=4 811 B11R1.74 NC1=CC(B(O)O)=CC(F)=C1 Z7539 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.74 NC1=CC(F)=CC([N+](=O)[O-])=C1 X0285 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.74 NC1=NC(Cl)=CC(C(=O)O)=C1 7060AE [0,2,0,0,0,0|1,0,0]=3 814 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 0562AC [0,2,0,0,0,0|2,0,0]=4 815 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(I)=C1 4437AA [0,2,0,0,0,0|1,0,1]=4 816 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(O)=C1 V4588 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 6794AA [0,2,0,0,0,0|1,0,0]=3 818 B11R1.266 CCC1=CC(C(C)=O)=CC=C1 1395AB [0,2,0,0,0,0|1,0,0]=3 819 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 Z4715 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.266 CCC1=CC=CC(C(N)=O)=N1 2254AC [0,2,0,0,0,0|2,0,0]=4 821 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 6504AB [0,2,0,0,0,0|1,0,0]=3 822 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 0646AE [0,2,0,0,0,0|1,0,0]=3 823 B11R1.266 CNC1=CC([N+](=O)[O-])=CC=C1 9301AB [0,2,0,0,0,0|1,0,1]=4 824 B11R1.266 CNC1=CN=CC(C(=O)O)=C1 6280AJ [0,2,0,0,0,0|1,0,0]=3 825 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 3929AC [0,2,0,0,0,0|1,0,0]=3 826 B11R1.266 COC1=CC(C(C)=O)=NC=C1 8865AB [0,2,0,0,0,0|2,0,0]=4 827 B11R1.266 COC1=CC([C@@H](C)O)=CC=C1 Z2103 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.266 COC1=CC=CC([N+](=O)[O-])=C1 F824 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.266 CSC1=CC(C(=O)O)=CN=C1 Z0823 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.266 N#CC1=CC(C(=O)O)=CN=C1 4593AC [0,2,0,0,0,0|1,0,0]=3 832 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 7259AE [0,2,0,0,0,0|1,0,0]=3 833 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 6370AA [0,2,0,0,0,0|1,0,0]=3 834 B11R1.266 NNC1=CC=CC(C(=O)O)=N1 4602AC [0,2,0,0,0,0|1,0,0]=3 835 B11R1.266 O=C(Br)C1=CC=CC(CBr)=C1 7128AD [0,2,0,0,0,0|1,0,0]=3 836 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Y9548 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,1,1,0,0|1,0,1]=4 838 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,1,1,0,0|1,0,1]=4 839 B9R1.5 O=C1C=CC=CC=C1Cl 5558AL [0,0,1,1,0,0|2,0,0]=4 840 B11R2.10 BrB1OC2=C(C=CC=C2)O1 5512AL [0,0,0,1,0,1|2,0,0]=4 841 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [0,0,0,1,0,1|1,0,0]=3 842 B11R2.10 ClB1OC2=C(C=CC=C2)O1 5556AL [0,0,0,1,0,1|2,0,0]=4 843 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 4909AA [0,0,0,1,0,1|2,0,0]=4 844 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [0,0,0,1,0,1|2,0,0]=4 845 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [0,0,0,1,0,1|2,0,0]=4 846 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [0,0,0,1,0,1|2,0,0]=4 847 B11R2.10 NC1=CC2=C(C=CC=C2)N1 U958 [0,0,0,1,0,1|2,0,0]=4 848 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,0,1|1,1,0]=4 849 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [0,0,0,1,0,1|1,1,0]=4 850 B11R2.10 NC1=NC2=C(C=CN=C2)O1 Z3900 [0,0,0,1,0,1|2,0,0]=4 851 B11R2.10 NC1=NC2=C(N=CC=C2)O1 3092AA [0,0,0,1,0,1|2,0,0]=4 852 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [0,0,0,1,0,1|2,0,0]=4 853 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [0,0,0,1,0,1|2,0,0]=4 854 B11R2.10 O=C1CC2=C(C=NC=C2)N1 3015AB [0,0,0,1,0,1|2,0,0]=4 855 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [0,0,0,1,0,1|1,0,0]=3 856 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [0,0,0,1,0,1|0,0,0]=2 857 B11R2.34 BrC1=CC=C(C2CO2)C=C1 1753AL [0,1,0,1,0,0|1,0,1]=4 858 B11R2.1 BrC1=COC2=CC=CC=C12 Y9562 [0,1,0,1,0,0|1,0,0]=3 859 B11R2.1 BrC1=NOC2=C1C=CC=C2 5187AA [0,1,0,1,0,0|1,0,0]=3 860 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,1,0,1,0,0|1,0,0]=3 861 B11R2.1 ClC1=COC2=CC=CC=C12 9647AB [0,1,0,1,0,0|1,0,0]=3 862 B11R2.1 ClC1=NOC2=C1C=CC=C2 W3544 [0,1,0,1,0,0|1,0,0]=3 863 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,1,0,1,0,0|1,1,0]=4 864 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [0,1,0,1,0,0|2,0,0]=4 865 B11R2.1 NC1=NOC2=NC=CC=C12 SYNMC0920 [0,1,0,1,0,0|2,0,0]=4 866 B11R2.1 NC1=NOC2=NC=CC=C12 V9236 [0,1,0,1,0,0|2,0,0]=4 867 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,1,0,1,0,0|1,0,1]=4 868 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,1,0,1,0,0|1,0,1]=4 869 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,1,0,1,0,0|1,0,1]=4 870 B11R2.1 O=C1C=CC2=C1C=CC=C2 Y5096 [0,1,0,1,0,0|1,0,0]=3 871 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,1,0,1,0,0|2,0,0]=4 872 B11R2.1 O=C1CCC2=C1C=NC=C2 W6676 [0,1,0,1,0,0|2,0,0]=4 873 B11R2.1 O=C1COC2=C1C=CC=N2 2516AB [0,1,0,1,0,0|1,0,0]=3 874 B11R2.1 O=C1COC2=C1C=CN=C2 1438AA [0,1,0,1,0,0|1,0,0]=3 875 B11R2.1 O=C1COC2=CN=CC=C12 4128AJ [0,1,0,1,0,0|1,0,0]=3 876 B11R2.1 O=C1NCC2=C1C=CN=C2 1363AJ [0,1,0,1,0,0|2,0,0]=4 877 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,1,0,1,0,0|1,0,1]=4 878 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,1,0,1,0,0|1,0,0]=3 879 B11R2.55 ClC1=C(C2CO2)C=CC=C1 U890 [0,1,0,1,0,0|1,0,1]=4 880 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 I069 [0,1,0,1,0,0|1,0,1]=4 881 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,0,1,0|1,0,0]=3 882 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,0,1,0|2,0,0]=4 883 B7R1.1 O=CC1=CN=CO1 X9341 [1,0,0,0,1,0|2,0,0]=4 884 B7R1.1 O=CC1=CON=C1 0015AC [1,0,0,0,1,0|2,0,0]=4 885 B7R1.1 O=CC1=CSN=C1 4169AJ [1,0,0,0,1,0|2,0,0]=4 886 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,1,0|2,0,0]=4 887 B7R1.1 O=CC1=NOC=C1 4723AC [1,0,0,0,1,0|2,0,0]=4 888 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,2|2,0,0]=4 889 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,0,2|1,0,0]=3 890 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,2|2,0,0]=4 891 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,2|2,0,0]=4 892 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,2|2,0,0]=4 893 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,0,0,0,0,2|2,0,0]=4 894 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,0,0,0,0,2|2,0,0]=4 895 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,2|2,0,0]=4 896 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,0,0,0,0,2|2,0,0]=4 897 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,2|2,0,0]=4 898 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,0,0,0,0,2|2,0,0]=4 899 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,0,2|1,0,0]=3 900 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [0,0,0,0,0,2|1,0,0]=3 901 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,2|2,0,0]=4 902 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,0,2|1,0,0]=3 903 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,2|1,0,0]=3 904 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,0,2|0,0,1]=3 905 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [0,0,0,0,0,2|1,0,1]=4