0 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCNC1=NC=CN=C1 Z2415 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=CC=NC=C1 7436AH [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=CC=NC=N1 6023AD [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 CNCC1=NC=CC=N1 X8879 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CNCC1=NC=CN=C1 X9439 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 CNNC1=CC=CC=C1 V2456 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [0,0,0,0,0,0|1,0,2]=3 13 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 NCCC1=CN=CC=N1 1878AJ [0,0,0,0,0,0|3,0,0]=3 17 B9R1.8 NCCC1=NC=CC=N1 X3774 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 NCCC1=NC=CN=C1 Y9352 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 NNCC1=CN=CN=C1 2736AD [0,0,0,0,0,0|4,0,0]=4 20 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [0,0,0,0,0,0|2,1,1]=4 22 B9R1.8 O=CNC1=NC=CC=C1 1807AL [0,0,0,0,0,0|2,1,1]=4 23 B9R1.8 OCCC1=CN=CN=C1 W8980 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.8 O\N=C\C1=CC=NC=C1 W9935 [0,0,0,0,0,0|2,1,1]=4 25 B9R1.8 S=C=NC1=CC=CC=N1 3181AH [0,0,0,0,0,0|2,0,2]=4 26 B9R1.8 SCCC1=CC=NC=C1 9519AJ [0,0,0,0,0,0|1,0,0]=1 27 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 CC[N+]1=CC=CC=C1 E438 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 CNC1=CN=CN=C1 5460AB [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 COC1=CC=NN=C1 Z5489 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 FCC1=CC=NC=C1 2557AL [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 NCC1=CC=NC=C1 Z3385 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 NCC1=CC=NC=N1 Y7101 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 NCC1=CC=NN=C1 X9904 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 NCC1=CN=NC=C1 0175AP [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 NCC1=NC=NC=C1 9281AB [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 NCC1=NN=CC=C1 5795AC [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 NNC1=CC=NC=C1 0864AQ [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|2,1,0]=4 46 B8R1.2 OCC1=NC=CN=C1 W7769 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.2 OCC1=NN=CC=C1 W5830 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [0,1,0,0,0,0|1,0,0]=2 50 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [0,1,0,0,0,0|1,0,1]=3 51 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [0,1,0,0,0,0|1,0,1]=3 52 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [0,1,0,0,0,0|1,0,1]=3 53 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [0,1,0,0,0,0|0,1,0]=2 54 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [0,1,0,0,0,0|1,1,1]=4 55 B10R1.1 CC1=NC=C(CC#N)C=C1 7400AB [0,1,0,0,0,0|2,0,1]=4 56 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [0,1,0,0,0,0|1,0,0]=2 57 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [0,1,0,0,0,0|1,0,0]=2 58 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [0,1,0,0,0,0|2,0,0]=3 60 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [0,1,0,0,0,0|2,0,0]=3 61 B10R1.1 CCNC1=NC=C(Br)C=C1 W8816 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.1 CCOC1=CN=C(Cl)C=C1 Z5197 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.1 CCOC1=CN=C(N)C=C1 W9273 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,1,0,0,0,0|3,0,0]=4 65 B10R1.1 CNCC1=CC=C(Cl)N=C1 9680AL [0,1,0,0,0,0|3,0,0]=4 66 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [0,1,0,0,0,0|2,0,0]=3 67 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,1,0,0,0,0|2,0,0]=3 68 B10R1.1 N#CCC1=CN=C(Br)C=C1 7149AA [0,1,0,0,0,0|2,0,1]=4 69 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,1,0,0,0,0|2,0,0]=3 70 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [0,1,0,0,0,0|1,0,0]=2 71 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [0,1,0,0,0,0|2,0,0]=3 72 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [0,1,0,0,0,0|2,0,0]=3 73 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [0,1,0,0,0,0|1,1,1]=4 75 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,1,0,0,0,0|2,0,0]=3 77 B10R1.4 CC1=CC=CC=C1CNN 4794AE [0,1,0,0,0,0|2,0,0]=3 78 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [0,1,0,0,0,0|1,0,0]=2 79 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,1,0,0,0,0|3,0,0]=4 81 B10R1.4 CCOC1=C(Br)C=NC=C1 V5422 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.4 CCOC1=C(Cl)C=CC=N1 9905AL [0,1,0,0,0,0|3,0,0]=4 83 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.4 CCOC1=C(N)C=NC=C1 W3561 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,1,0,0,0,0|3,0,0]=4 86 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,1,0,0,0,0|2,0,0]=3 87 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,1,0,0,0,0|3,0,0]=4 88 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,1,0,0,0,0|3,0,0]=4 89 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,1,0,0,0,0|3,0,0]=4 90 B10R1.4 N#CCC1=C(Cl)C=CC=N1 1101AJ [0,1,0,0,0,0|2,0,1]=4 91 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [0,1,0,0,0,0|1,0,1]=3 92 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,1,0,0,0,0|2,0,1]=4 93 B10R1.4 N#CCC1=NC=CC=C1F 1107AJ [0,1,0,0,0,0|2,0,1]=4 94 B10R1.4 NCCC1=CC=CC=C1O Z4391 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [0,1,0,0,0,0|2,0,0]=3 96 B10R1.4 NOCC1=CC=CC=C1F 7325AD [0,1,0,0,0,0|2,0,0]=3 97 B10R1.4 NOCC1=CC=CC=C1I 3260AC [0,1,0,0,0,0|2,0,0]=3 98 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [0,1,0,0,0,0|0,1,1]=3 99 B10R1.4 ONCC1=CC=CC=C1F Z3766 [0,1,0,0,0,0|1,1,0]=3 100 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [0,1,0,0,0,0|1,1,1]=4 101 B10R1.4 O\N=C\C1=CC=CC=C1Br 2021AL [0,1,0,0,0,0|1,1,1]=4 102 B10R1.4 O\N=C\C1=CC=CC=C1Cl 1838AE [0,1,0,0,0,0|1,1,1]=4 103 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [0,1,0,0,0,0|1,0,1]=3 104 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y1250 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [0,1,0,0,0,0|1,0,0]=2 106 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [0,1,0,0,0,0|1,0,0]=2 108 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [0,1,0,0,0,0|2,0,0]=3 109 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [0,1,0,0,0,0|2,0,0]=3 110 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,1,0,0,0,0|2,0,0]=3 111 B10R1.10 CCCC1=NC=CC(N)=N1 1873AJ [0,1,0,0,0,0|3,0,0]=4 112 B10R1.10 CCNC1=CC=CC(Cl)=C1 W3328 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.10 CCOC1=CC(=O)C=CN1 0560AA [0,1,0,0,0,0|3,0,0]=4 115 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.10 CCOC1=CC=CC(N)=N1 Y4042 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.10 CCOC1=NC=CC(Cl)=C1 W8817 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [0,1,0,0,0,0|2,0,0]=3 119 B10R1.10 CNCC1=NC=CC(C)=C1 8285AC [0,1,0,0,0,0|3,0,0]=4 120 B10R1.10 COCC1=CN=CC(Br)=C1 Z0267 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [0,1,0,0,0,0|1,0,1]=3 122 B10R1.10 N#CCC1=NC(Cl)=CC=C1 Y6377 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.10 N#CCC1=NC(F)=CC=C1 3329AB [0,1,0,0,0,0|2,0,1]=4 124 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [0,1,0,0,0,0|2,0,0]=3 125 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [0,1,0,0,0,0|2,0,0]=3 126 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [0,1,0,0,0,0|2,0,0]=3 127 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [0,1,0,0,0,0|2,0,0]=3 128 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [0,1,0,0,0,0|0,1,1]=3 129 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [0,1,0,0,0,0|1,1,0]=3 130 B10R1.10 O\N=C\C1=CC(Cl)=CC=C1 5550AC [0,1,0,0,0,0|1,1,1]=4 131 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [0,1,0,0,0,0|1,1,1]=4 132 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,1,0,0,0,0|1,0,1]=3 133 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,1,0,0,0,0|1,0,1]=3 134 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,1,0,0,0,0|1,0,1]=3 135 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,1,0,0,0,0|1,0,2]=4 136 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,1,0,0,0,0|1,0,0]=2 137 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,1,0,0,0,0|1,0,0]=2 138 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,1,0,0,0,0|2,0,0]=3 140 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,1,0,0,0,0|2,0,0]=3 141 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,1,0,0,0,0|3,0,0]=4 142 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,1,0,0,0,0|1,0,0]=2 143 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,1,0,0,0,0|1,0,0]=2 144 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,1,0,0,0,0|1,0,0]=2 148 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,1,0,0,0,0|1,0,0]=2 149 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,1,0,0,0,0|1,1,0]=3 150 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,1,0,0,0,0|1,1,0]=3 151 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [0,1,0,0,0,0|1,1,0]=3 152 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,1,0,0,0,0|2,0,1]=4 153 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,1,0,0,0,0|2,0,1]=4 154 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,1,0,0,0,0|2,0,1]=4 155 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,1,0,0,0,0|1,0,0]=2 156 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,0|1,0,0]=2 157 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,1,0,0,0,0|2,0,0]=3 158 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,1,0,0,0,0|2,0,0]=3 159 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,1,0,0,0,0|2,0,1]=4 163 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,1,0,0,0,0|2,0,1]=4 164 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,1,0,0,0,0|1,1,1]=4 165 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [0,1,0,0,0,0|1,1,1]=4 167 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [0,1,0,0,0,0|2,0,1]=4 168 B10R1.17 C=CCNC1=CC=NC=C1 8332AC [0,1,0,0,0,0|2,0,1]=4 169 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.17 CNCCC1=CC=NC=C1 5552AE [0,1,0,0,0,0|2,0,0]=3 173 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,1,0,0,0,0|2,0,0]=3 174 B10R1.17 CNCCC1=CC=NC=C1 X8552 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,1,0,0,0,0|2,0,0]=3 176 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [0,1,0,0,0,0|2,0,0]=3 177 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [0,1,0,0,0,0|1,0,1]=3 178 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,1,0,0,0,0|2,0,0]=3 179 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [0,1,0,0,0,0|2,0,0]=3 181 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [0,1,0,0,0,0|2,0,0]=3 182 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [0,1,0,0,0,0|2,0,0]=3 183 B10R1.17 NCCOC1=CC=NC=C1 2194AB [0,1,0,0,0,0|2,0,0]=3 184 B10R1.17 NCCSC1=CC=CC=C1 6800AD [0,1,0,0,0,0|1,0,0]=2 185 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,1,0,0,0,0|2,0,0]=3 186 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,1,0,0,0,0|0,1,1]=3 187 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [0,1,0,0,0,0|1,1,1]=4 188 B10R1.17 OCC#CC1=CC=NC=C1 5668AJ [0,1,0,0,0,0|1,1,1]=4 189 B10R1.17 OCCCC1=CCC=CC1 X3903 [0,1,0,0,0,0|0,1,2]=4 190 B10R1.17 OCCSC1=CC=CC=C1 K990 [0,1,0,0,0,0|0,1,0]=2 191 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [0,1,0,0,0,0|1,1,1]=4 192 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [0,1,0,0,0,0|1,1,1]=4 193 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.17 [N-]=[N+]=NCC1=CC=CC=N1 6614AE [0,1,0,0,0,0|3,0,0]=4 195 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [0,1,0,0,0,0|1,0,2]=4 196 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,1,0,0,0,0|1,1,1]=4 197 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,1,0,0,0,0|1,0,2]=4 198 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [0,1,0,0,0,0|2,0,0]=3 199 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,1,0,0,0,0|2,0,0]=3 201 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [0,1,0,0,0,0|2,0,0]=3 202 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,1,0,0,0,0|3,0,0]=4 203 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,1,0,0,0,0|0,1,0]=2 204 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,1,0,0,0,0|1,0,1]=3 205 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,1,0,0,0,0|2,0,1]=4 206 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,1,0,0,0,0|1,1,1]=4 207 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,1,0,0,0,0|1,0,2]=4 208 B10R2.6 C1=CC(C2CC2)=CC=N1 Z0635 [0,0,0,1,0,0|2,0,0]=3 209 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [0,0,0,1,0,0|2,0,0]=3 210 B10R2.7 C1=CC2=C(C=C1)ON=C2 1484AL [0,0,0,1,0,0|1,1,1]=4 211 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [0,0,0,1,0,0|2,0,0]=3 212 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [0,0,0,1,0,0|3,0,0]=4 213 B10R2.7 C1=CC2=C(C=N1)N=CS2 Y5370 [0,0,0,1,0,0|2,0,1]=4 214 B10R2.7 C1=CC2=C(C=N1)SC=C2 W5029 [0,0,0,1,0,0|1,0,2]=4 215 B10R2.7 C1=CC2=CON=C2C=C1 5069AL [0,0,0,1,0,0|2,0,1]=4 216 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [0,0,0,1,0,0|1,0,2]=4 217 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,0,0,1,0,0|2,0,0]=3 218 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,0,0,1,0,0|3,0,0]=4 219 B10R2.7 C1=CN=C2CNCC2=C1 W3224 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,0,0,0,1,0|2,0,0]=3 221 B8R1.8 BrCCC1=CSC=C1 W7060 [0,0,0,0,1,0|2,0,0]=3 222 B8R1.8 BrCCN1C=CC=C1 Y4087 [0,0,0,0,1,0|2,0,0]=3 223 B8R1.8 CCCC1=CC=CO1 Z5525 [0,0,0,0,1,0|2,0,0]=3 224 B8R1.8 CCCC1=CSC=C1 Z5466 [0,0,0,0,1,0|2,0,0]=3 225 B8R1.8 CCNC1=CC=CS1 W4294 [0,0,0,0,1,0|3,0,0]=4 226 B8R1.8 CNCC1=COC=C1 7832AD [0,0,0,0,1,0|3,0,0]=4 227 B8R1.8 ClCCC1=CNC=N1 X4176 [0,0,0,0,1,0|3,0,0]=4 228 B8R1.8 ClCCC1=CNN=C1 9537AF [0,0,0,0,1,0|3,0,0]=4 229 B8R1.8 ClCCN1C=CC=C1 X4634 [0,0,0,0,1,0|2,0,0]=3 230 B8R1.8 N#CCC1=CC=CN1 1010AJ [0,0,0,0,1,0|2,0,1]=4 231 B8R1.8 NCCC1=CC=CN1 1070AJ [0,0,0,0,1,0|2,0,0]=3 232 B8R1.8 NCCC1=CC=CN1 5556AB [0,0,0,0,1,0|2,0,0]=3 233 B8R1.8 NCCC1=CON=C1 5076AH [0,0,0,0,1,0|3,0,0]=4 234 B8R1.8 NCCC1=CSC=N1 2066AC [0,0,0,0,1,0|3,0,0]=4 235 B8R1.8 NCCC1=NC=CN1 9985AA [0,0,0,0,1,0|3,0,0]=4 236 B8R1.8 NCCC1=NC=CS1 5806AE [0,0,0,0,1,0|3,0,0]=4 237 B8R1.8 NCCC1=NC=CS1 Y1661 [0,0,0,0,1,0|3,0,0]=4 238 B8R1.8 NCCC1=NNC=C1 4102AD [0,0,0,0,1,0|3,0,0]=4 239 B8R1.8 NCCN1C=CC=C1 3045AB [0,0,0,0,1,0|2,0,0]=3 240 B8R1.8 NCCN1C=CN=C1 4503AH [0,0,0,0,1,0|3,0,0]=4 241 B8R1.8 NCCN1C=CN=C1 8445AB [0,0,0,0,1,0|3,0,0]=4 242 B8R1.8 OCCC1=CSC=C1 J11110 [0,0,0,0,1,0|1,1,0]=3 243 B8R1.8 OCCC1=NNC=C1 1008AJ [0,0,0,0,1,0|2,1,0]=4 244 B7R1.3 CC1=CCC=CC1 7751AF [2,0,0,0,0,0|0,0,2]=4 245 B7R1.3 C[N+]1=CC=CC=C1 1581AB [2,0,0,0,0,0|1,0,0]=3 246 B7R1.3 C[N+]1=CC=CC=C1 K323 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 F[N+]1=CC=CC=C1 4861AL [2,0,0,0,0,0|2,0,0]=4 248 B7R1.3 NC1=CC=CC=C1 7089AL [2,0,0,0,0,0|1,0,0]=3 249 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [2,0,0,0,0,0|0,1,0]=3 250 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.1 C#CC1=CC=C(I)C=C1 1951AC [1,1,0,0,0,0|0,0,2]=4 252 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,1,0,0,0,0|0,0,0]=2 253 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,1,0,0,0,0|0,0,0]=2 256 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,1,0,0,0,0|0,0,0]=2 257 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [1,1,0,0,0,0|1,0,0]=3 258 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,1,0,0,0,0|1,0,0]=3 261 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [1,1,0,0,0,0|1,0,0]=3 262 B9R1.1 CNC1=CC=C(N)C=C1 F921 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.1 COC1=CC=C(C)N=C1 8055AB [1,1,0,0,0,0|2,0,0]=4 264 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [1,1,0,0,0,0|1,1,0]=4 267 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.1 NC1=CC=C(CO)C=N1 U962 [1,1,0,0,0,0|1,1,0]=4 273 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [1,1,0,0,0,0|1,1,0]=4 278 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [1,1,0,0,0,0|2,0,0]=4 279 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [1,1,0,0,0,0|0,0,2]=4 280 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [1,1,0,0,0,0|2,0,0]=4 281 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [1,1,0,0,0,0|2,0,0]=4 284 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 CCC1=CC(Br)=NC=C1 Y5042 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [1,1,0,0,0,0|0,0,0]=2 288 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [1,1,0,0,0,0|1,0,0]=3 289 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [1,1,0,0,0,0|2,0,0]=4 290 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [1,1,0,0,0,0|1,0,0]=3 291 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [1,1,0,0,0,0|1,0,0]=3 293 B9R1.2 COC1=CC(=O)NC=C1 W6732 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 COC1=CC(C)=CN=C1 2251AC [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 COC1=CN=CC(I)=C1 1202AF [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [1,1,0,0,0,0|2,0,0]=4 302 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,1,0,0,0,0|0,1,1]=4 306 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|1,1,0]=4 307 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [1,1,0,0,0,0|1,1,0]=4 308 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [1,1,0,0,0,0|0,1,1]=4 309 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [1,1,0,0,0,0|1,0,0]=3 310 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [1,1,0,0,0,0|2,0,0]=4 311 B9R1.2 NCC1=CC(Cl)=NC=C1 7154AA [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 NCC1=CC(F)=NC=C1 Y4072 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [1,1,0,0,0,0|1,0,0]=3 314 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [1,1,0,0,0,0|2,0,0]=4 319 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [1,1,0,0,0,0|2,0,0]=4 321 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [1,1,0,0,0,0|1,1,0]=4 323 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|1,1,0]=4 325 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [1,1,0,0,0,0|1,1,0]=4 326 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [1,1,0,0,0,0|0,1,0]=3 327 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [1,1,0,0,0,0|1,1,0]=4 328 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,1,0,0,0,0|0,0,0]=2 329 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,1,0,0,0,0|1,0,0]=3 330 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [1,1,0,0,0,0|2,0,0]=4 331 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,1,0,0,0,0|2,0,0]=4 332 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,1,0,0,0,0|1,0,0]=3 334 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,1,0,0,0,0|2,0,0]=4 335 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,1,0,0,0,0|1,0,0]=3 336 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,1,0,0,0,0|1,0,0]=3 337 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,1,0,0,0,0|1,0,0]=3 338 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [1,1,0,0,0,0|2,0,0]=4 341 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [1,1,0,0,0,0|0,1,1]=4 342 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [1,1,0,0,0,0|1,0,1]=4 343 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [1,1,0,0,0,0|0,1,1]=4 344 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [1,1,0,0,0,0|1,1,0]=4 345 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [1,1,0,0,0,0|0,0,2]=4 346 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [1,1,0,0,0,0|0,0,2]=4 347 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [1,1,0,0,0,0|0,0,2]=4 348 B9R1.15 C=CC1=CC=CC=C1N Y8954 [1,1,0,0,0,0|0,0,2]=4 349 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.15 CC1=CC=CN=C1CBr Y9115 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.15 CC1=CC=CN=C1CO 0931AC [1,1,0,0,0,0|1,1,0]=4 355 B9R1.15 CC1=NC=CC=C1CCl 8680AB [1,1,0,0,0,0|2,0,0]=4 356 B9R1.15 CC1=NC=CC=C1CN 8679AB [1,1,0,0,0,0|2,0,0]=4 357 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [1,1,0,0,0,0|1,0,0]=3 358 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.15 CCC1=CC=CC=C1C Z4941 [1,1,0,0,0,0|0,0,0]=2 360 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,1,0,0,0,0|1,0,0]=3 361 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,1,0,0,0,0|1,0,0]=3 362 B9R1.15 CCC1=CC=CNC1=O 9540AB [1,1,0,0,0,0|1,0,0]=3 363 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [1,1,0,0,0,0|1,0,0]=3 364 B9R1.15 CNC1=CC=CC=C1Br 0544AC [1,1,0,0,0,0|1,0,0]=3 365 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.15 CNC1=CC=CN=C1N 8234AB [1,1,0,0,0,0|2,0,0]=4 367 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.15 COC1=C(C)C=NC=C1 V9875 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.15 COC1=C(O)C=NC=C1 7687AA [1,1,0,0,0,0|2,0,0]=4 372 B9R1.15 COC1=CC=NC=C1I 4852AC [1,1,0,0,0,0|2,0,0]=4 373 B9R1.15 COC1=NC=CC=C1F Z7565 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.15 CSC1=NC=CC=C1Br V6364 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [1,1,0,0,0,0|1,0,0]=3 376 B9R1.15 ClCC1=C(Br)C=NC=C1 5826AJ [1,1,0,0,0,0|2,0,0]=4 377 B9R1.15 ClCC1=NC=CC=C1Br V3162 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [1,1,0,0,0,0|2,0,0]=4 379 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [1,1,0,0,0,0|2,0,0]=4 380 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [1,1,0,0,0,0|1,1,0]=4 381 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [1,1,0,0,0,0|2,0,0]=4 382 B9R1.15 NCC1=C(Cl)C=NC=C1 3709AC [1,1,0,0,0,0|2,0,0]=4 383 B9R1.15 NCC1=C(F)C=NC=C1 W8931 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [1,1,0,0,0,0|1,0,0]=3 385 B9R1.15 NCC1=CC=CC=C1N W5201 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [1,1,0,0,0,0|2,0,0]=4 387 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [1,1,0,0,0,0|2,0,0]=4 388 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [1,1,0,0,0,0|1,1,0]=4 389 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [1,1,0,0,0,0|1,1,0]=4 390 B9R1.15 OCC1=NC=CC=C1Br W6721 [1,1,0,0,0,0|1,1,0]=4 391 B9R1.15 [O-][N+]1=C(CCl)C=CC=C1 Y8686 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,1,0,0,1,0|2,0,0]=4 393 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,1,0,0,1,0|2,0,0]=4 394 B9R1.7 NCCC1=CC(Br)=CS1 1027AJ [0,1,0,0,1,0|2,0,0]=4 395 B9R1.7 NCCC1=CC(Br)=CS1 1159AJ [0,1,0,0,1,0|2,0,0]=4 396 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [0,1,0,0,1,0|2,0,0]=4 397 B9R1.7 NCCC1=CC=C(Cl)S1 1213AJ [0,1,0,0,1,0|2,0,0]=4 398 B9R1.11 NCC(O)C1=CC=CO1 8969AD [0,1,0,0,1,0|2,0,0]=4 399 B9R1.11 OC[C@@H](O)C1=CC=CO1 1030AL [0,1,0,0,1,0|1,1,0]=4 400 B9R1.12 CCCCC1=CC=CO1 5552AL [0,1,0,0,1,0|2,0,0]=4 401 B9R1.12 CNCCC1=CC=CS1 8340AC [0,1,0,0,1,0|2,0,0]=4 402 B9R1.12 NCCCC1=CC=CO1 3731AE [0,1,0,0,1,0|2,0,0]=4 403 B9R1.12 NCCCC1=CC=CS1 6482AE [0,1,0,0,1,0|2,0,0]=4 404 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,1,0,0,1,0|1,1,0]=4 405 B9R1.12 OCCCN1C=CC=C1 1412AL [0,1,0,0,1,0|1,1,0]=4 406 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,1,0,0,1,0|2,0,0]=4 407 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,1,0,0,1,0|1,1,0]=4 408 B9R1.33 CCCC1=C(C)SC=C1 V3396 [0,1,0,0,1,0|2,0,0]=4 409 B9R1.33 CN1C=CC=C1CCN 1703AL [0,1,0,0,1,0|2,0,0]=4 410 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [0,2,0,0,0,0|1,0,0]=3 411 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [0,2,0,0,0,0|1,0,1]=4 412 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 5559AD [0,2,0,0,0,0|2,0,0]=4 413 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [0,2,0,0,0,0|0,1,0]=3 414 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [0,2,0,0,0,0|1,0,0]=3 416 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [0,2,0,0,0,0|2,0,0]=4 418 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,2,0,0,0,0|2,0,0]=4 419 B11R1.1 CCCNC1=NC=C(Br)C=C1 Z6268 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [0,2,0,0,0,0|1,0,0]=3 421 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [0,2,0,0,0,0|1,0,0]=3 422 B11R1.1 CCNCC1=CN=C(Cl)C=C1 S696 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.1 CNCCC1=CC=C(N)C=C1 X8249 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 1548AL [0,2,0,0,0,0|1,0,1]=4 426 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.1 ClC\C=C\C1=CC=C(Br)C=C1 Y1270 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.1 FCCOC1=CC=C(Br)C=C1 V5244 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.1 N#CCOC1=CC=C(F)C=C1 8133AD [0,2,0,0,0,0|1,0,1]=4 431 B11R1.1 NC1=CC=C(CCCO)C=C1 7207AA [0,2,0,0,0,0|0,1,0]=3 432 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [0,2,0,0,0,0|1,0,0]=3 433 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [0,2,0,0,0,0|1,0,0]=3 434 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [0,2,0,0,0,0|1,0,0]=3 435 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [0,2,0,0,0,0|1,0,0]=3 436 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [0,2,0,0,0,0|1,0,0]=3 437 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [0,2,0,0,0,0|0,1,1]=4 438 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [0,2,0,0,0,0|1,1,0]=4 439 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [0,2,0,0,0,0|0,1,0]=3 440 B11R1.1 OCCNC1=NC=C(Br)C=C1 2906AF [0,2,0,0,0,0|1,1,0]=4 441 B11R1.1 OCCOC1=NC=C(Br)C=C1 Z0377 [0,2,0,0,0,0|1,1,0]=4 442 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 8226AC [0,2,0,0,0,0|0,1,1]=4 443 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 5092AD [0,2,0,0,0,0|2,0,0]=4 444 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,2,0,0,0,0|1,0,0]=3 445 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 2014AC [0,2,0,0,0,0|2,0,0]=4 446 B11R1.20 CC(C)NC1=CC=C(F)C=C1 W7991 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Z0614 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 V6143 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 P247 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,2,0,0,0,0|1,0,0]=3 451 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,2,0,0,0,0|1,0,0]=3 452 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,2,0,0,0,0|1,0,0]=3 453 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,2,0,0,0,0|1,0,0]=3 454 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,2,0,0,0,0|1,0,0]=3 455 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,2,0,0,0,0|1,0,0]=3 456 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,2,0,0,0,0|2,0,0]=4 457 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,2,0,0,0,0|1,0,0]=3 458 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,2,0,0,0,0|2,0,0]=4 461 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,2,0,0,0,0|1,0,1]=4 462 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,2,0,0,0,0|1,0,1]=4 463 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [0,2,0,0,0,0|1,0,0]=3 464 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [0,2,0,0,0,0|1,0,0]=3 466 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,2,0,0,0,0|1,0,0]=3 467 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,2,0,0,0,0|1,0,0]=3 468 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,2,0,0,0,0|1,0,0]=3 469 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [0,2,0,0,0,0|0,1,0]=3 470 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 5935AC [0,2,0,0,0,0|1,0,1]=4 471 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,2,0,0,0,0|1,0,1]=4 472 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,2,0,0,0,0|0,1,1]=4 474 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,2,0,0,0,0|0,1,0]=3 475 B11R1.81 C=CCC1=CC=C(F)C=C1Cl X7339 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.81 CC1=CC(F)=CC=C1CC#N X8385 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.81 CC1=CC=C(CC#N)C(C)=C1 8114AE [0,2,0,0,0,0|1,0,1]=4 478 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 4922AH [0,2,0,0,0,0|2,0,0]=4 479 B11R1.81 CCNC1=C(N)C=C(Cl)C=C1 6903AE [0,2,0,0,0,0|2,0,0]=4 480 B11R1.81 CCOC1=CC=C(F)C=C1F Z0530 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.81 CCOC1=CC=C(N)C=C1C 0469AD [0,2,0,0,0,0|2,0,0]=4 482 B11R1.81 N#CCC1=CC=C(O)C=C1O W1996 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.81 NCCC1=CC=C(F)C=C1F 6230AA [0,2,0,0,0,0|1,0,0]=3 484 B11R1.81 NCCC1=NC=C(Cl)C=C1Cl 1080AJ [0,2,0,0,0,0|2,0,0]=4 485 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 1901AL [0,2,0,0,0,0|2,0,0]=4 486 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 7381AB [0,2,0,0,0,0|2,0,0]=4 487 B11R1.81 NOCC1=C(Cl)C=C(F)C=C1 3474AB [0,2,0,0,0,0|2,0,0]=4 488 B11R1.83 CCCC1=CC=C(NN)C=C1 1149AE [0,2,0,0,0,0|1,0,0]=3 489 B11R1.83 COC1=CC=C(CNO)C=C1 7133AB [0,2,0,0,0,0|1,1,0]=4 490 B11R1.83 COC1=NC=C(CCN)C=C1 1228AJ [0,2,0,0,0,0|2,0,0]=4 491 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [0,2,0,0,0,0|2,0,0]=4 492 B11R1.83 N#CC1=CC=C(CCCl)C=C1 4983AA [0,2,0,0,0,0|1,0,0]=3 493 B11R1.83 NCCC1=CC=C(CO)C=C1 9331AH [0,2,0,0,0,0|1,0,0]=3 494 B11R1.83 NCCC1=CC=C(CO)C=C1 9332AH [0,2,0,0,0,0|1,0,0]=3 495 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [0,2,0,0,0,0|1,0,1]=4 496 B11R1.192 CC1=CC(CC#N)=CC=C1Br V4369 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.192 CCNC1=CC(F)=C(F)C=C1 3983AD [0,2,0,0,0,0|2,0,0]=4 498 B11R1.192 CCOC1=CC(F)=C(N)C=C1 6418AB [0,2,0,0,0,0|2,0,0]=4 499 B11R1.192 CCOC1=CC=C(N)C(N)=C1 X9397 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [0,2,0,0,0,0|2,0,0]=4 501 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 SYN5502 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.192 NOCC1=CC=C(Cl)C(Cl)=C1 7654AA [0,2,0,0,0,0|2,0,0]=4 503 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [0,2,0,0,0,0|0,1,1]=4 504 B11R1.13 C=CCC1=C(N)C(N)=CC=C1 4831AD [0,2,0,0,0,0|1,0,1]=4 505 B11R1.13 CC1=C(CC#N)C=CC=C1F 6829AB [0,2,0,0,0,0|1,0,1]=4 506 B11R1.13 CCCC1=C(O)C(O)=CC=C1 2907AB [0,2,0,0,0,0|1,0,0]=3 507 B11R1.13 CCNC1=C(C)C(C)=CC=C1 2873AE [0,2,0,0,0,0|2,0,0]=4 508 B11R1.13 CCNC1=C(Cl)C(Cl)=CC=C1 4902AH [0,2,0,0,0,0|2,0,0]=4 509 B11R1.13 CCOC1=C(I)C(Br)=CC=C1 Z6996 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.13 CCOC1=C(N)C(Br)=CC=C1 Z7005 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.13 CNCC1=C(F)C(Br)=CC=C1 Z9436 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.17 C=CCOC1=C(C)C=CC=C1 7034AL [0,2,0,0,0,0|1,0,1]=4 513 B11R1.17 C=CCOC1=CC=CC=C1N 1709AE [0,2,0,0,0,0|1,0,1]=4 514 B11R1.17 C=CCOC1=CC=CC=C1N 8907AD [0,2,0,0,0,0|1,0,1]=4 515 B11R1.17 CC1=C(CN=C=S)C=CC=C1 5365AD [0,2,0,0,0,0|0,0,2]=4 516 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 3406AD [0,2,0,0,0,0|2,0,0]=4 517 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [0,2,0,0,0,0|0,1,0]=3 518 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [0,2,0,0,0,0|1,0,0]=3 519 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [0,2,0,0,0,0|1,0,0]=3 520 B11R1.17 CCCCC1=C(N)C=CC=C1 5551AL [0,2,0,0,0,0|1,0,0]=3 521 B11R1.17 CCCNC1=C(Cl)C=CC=C1 5500AE [0,2,0,0,0,0|1,0,0]=3 522 B11R1.17 CCCNC1=NC=CC=C1N 3687AE [0,2,0,0,0,0|2,0,0]=4 523 B11R1.17 CCCOC1=CC=CC=C1N 3820AE [0,2,0,0,0,0|1,0,0]=3 524 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.17 CCCOC1=NC=CC=C1I W9297 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [0,2,0,0,0,0|2,0,0]=4 527 B11R1.17 ClC1=CC=CC=C1CCCBr V6557 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.17 FC1=CC=CC=C1CCCBr Z9473 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.17 N#CCCC1=C(N)C=CC=C1 8000AB [0,2,0,0,0,0|1,0,0]=3 530 B11R1.17 NC1=C(CCCO)C=CC=C1 8496AB [0,2,0,0,0,0|0,1,0]=3 531 B11R1.17 NC1=C(OCCO)C=CN=C1 Z6720 [0,2,0,0,0,0|1,1,0]=4 532 B11R1.17 NC1=C(OCCO)N=CC=C1 7584AC [0,2,0,0,0,0|1,1,0]=4 533 B11R1.17 NC1=CC=CC=C1OCCBr V2926 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.17 NC1=CC=CN=C1NCCO 0651AD [0,2,0,0,0,0|1,1,0]=4 535 B11R1.17 NCCCN1C=CC=CC1=O 0650AA [0,2,0,0,0,0|2,0,0]=4 536 B11R1.17 NCCOC1=C(Cl)C=CC=C1 8744AD [0,2,0,0,0,0|1,0,0]=3 537 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,2,0,0,0,0|0,1,0]=3 539 B11R1.17 [N-]=[N+]=NCC1=CC=CC=C1F 6867AE [0,2,0,0,0,0|2,0,0]=4 540 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [0,2,0,0,0,0|2,0,0]=4 541 B11R1.41 CCOC1=CC=CC=C1CCl 9104AB [0,2,0,0,0,0|2,0,0]=4 542 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [0,2,0,0,0,0|2,0,0]=4 543 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [0,2,0,0,0,0|2,0,0]=4 544 B11R1.41 CNCC1=C(CO)C=CC=C1 5373AJ [0,2,0,0,0,0|2,0,0]=4 545 B11R1.41 COC1=C(CC=O)C=CC=C1 3932AB [0,2,0,0,0,0|0,1,1]=4 546 B11R1.41 COC1=CC=CC=C1CNN 0742AF [0,2,0,0,0,0|2,0,0]=4 547 B11R1.41 COC1=CC=CC=C1CON 3475AB [0,2,0,0,0,0|2,0,0]=4 548 B11R1.41 COCC1=C(CN)C=CC=C1 1506AF [0,2,0,0,0,0|2,0,0]=4 549 B11R1.41 N#CCC1=CC=CC=C1C=O 8509AH [0,2,0,0,0,0|1,0,1]=4 550 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,2,0,0,0,0|0,1,1]=4 551 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,2,0,0,0,0|1,0,0]=3 552 B11R1.86 CC(C)NC1=CC=CC=C1N Z3346 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,2,0,0,0,0|2,0,0]=4 554 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,2,0,0,0,0|2,0,0]=4 555 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,2,0,0,0,0|2,0,0]=4 556 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,2,0,0,0,0|1,0,1]=4 557 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.182 C=CCC1=CC(Br)=CC=C1O X6454 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.182 CCNC1=C(Cl)C=CC(Cl)=C1 4930AH [0,2,0,0,0,0|2,0,0]=4 560 B11R1.182 CCOC1=C(N)C=CC(F)=C1 5982AD [0,2,0,0,0,0|2,0,0]=4 561 B11R1.182 CCOC1=CC(Br)=CC=C1C Z0931 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.182 CCOC1=CC(C)=CC=C1Br Z1243 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.182 CCOC1=CC(N)=CC=C1Cl V8087 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.182 CNCC1=CC(Cl)=CC=C1Cl 5047AC [0,2,0,0,0,0|2,0,0]=4 565 B11R1.182 CNCC1=CC(Cl)=CC=C1O 6130AJ [0,2,0,0,0,0|2,0,0]=4 566 B11R1.182 N#CCC1=CC(Br)=CC=C1Cl 1284AA [0,2,0,0,0,0|1,0,1]=4 567 B11R1.182 N#CCC1=CC(N)=CC=C1Cl 0666AF [0,2,0,0,0,0|1,0,1]=4 568 B11R1.182 NOCC1=C(Cl)C=CC(Cl)=C1 0055AE [0,2,0,0,0,0|2,0,0]=4 569 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,2,0,0,0,0|1,0,0]=3 570 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,2,0,0,0,0|1,0,1]=4 571 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,2,0,0,0,0|1,0,1]=4 572 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,2,0,0,0,0|2,0,0]=4 573 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.222 CNC(C)C1=CC=CC=C1Cl W6646 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,2,0,0,0,0|1,0,0]=3 577 B11R1.605 CC1=CC=CC(C)=C1CC#N 5409AE [0,2,0,0,0,0|1,0,1]=4 578 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl 4936AH [0,2,0,0,0,0|2,0,0]=4 579 B11R1.605 CCOC1=C(C)C=CC=C1N Z9878 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.605 CCOC1=C(N)C=CC=C1Cl 5168AE [0,2,0,0,0,0|2,0,0]=4 581 B11R1.605 NC1=CC=CC(Cl)=C1CCO 0188AA [0,2,0,0,0,0|0,1,0]=3 582 B11R1.605 NNCC1=C(Cl)C=CC=C1Cl 4669AE [0,2,0,0,0,0|2,0,0]=4 583 B11R1.605 NNCC1=C(Cl)C=CC=C1F 8275AC [0,2,0,0,0,0|2,0,0]=4 584 B11R1.605 NNCC1=C(F)C=CC=C1Cl 0343AD [0,2,0,0,0,0|2,0,0]=4 585 B11R1.605 NOCC1=C(F)C=CC=C1Cl 5750AC [0,2,0,0,0,0|2,0,0]=4 586 B11R1.605 OCCC1=C(F)C=CC=C1F 8621AA [0,2,0,0,0,0|0,1,0]=3 587 B11R1.23 CC(CO)C1=CC=CC(=O)C1 W6317 [0,2,0,0,0,0|0,1,1]=4 588 B11R1.23 CC1=CC(C(=O)CN)=CC=C1 0979AC [0,2,0,0,0,0|1,0,1]=4 589 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [0,2,0,0,0,0|1,0,0]=3 590 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [0,2,0,0,0,0|1,0,0]=3 591 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [0,2,0,0,0,0|1,0,0]=3 592 B11R1.23 CCC(N)C1=NC=CC(C)=C1 9648AC [0,2,0,0,0,0|2,0,0]=4 593 B11R1.23 CCN(C)C1=CC(N)=CC=C1 9949AH [0,2,0,0,0,0|2,0,0]=4 594 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [0,2,0,0,0,0|1,0,0]=3 596 B11R1.23 CNC(C)C1=CC=CC(Cl)=C1 W3261 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 3155AH [0,2,0,0,0,0|0,1,0]=3 598 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,2,0,0,0,0|1,0,1]=4 599 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [0,2,0,0,0,0|1,0,0]=3 601 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 7584AB [0,2,0,0,0,0|1,0,0]=3 602 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [0,2,0,0,0,0|1,0,0]=3 603 B11R1.23 NC[C@@H](O)C1=CC=CC(Cl)=C1 X5098 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 N836 [0,2,0,0,0,0|0,1,0]=3 605 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,2,0,0,0,0|1,0,1]=4 606 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,2,0,0,0,0|0,1,0]=3 607 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [0,2,0,0,0,0|1,0,0]=3 608 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 2995AF [0,2,0,0,0,0|1,0,0]=3 609 B11R1.24 C=CCOC1=CC(N)=CC=C1 7698AC [0,2,0,0,0,0|1,0,1]=4 610 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [0,2,0,0,0,0|0,1,0]=3 611 B11R1.24 CC1=CC(CN=C=O)=CC=C1 C935 [0,2,0,0,0,0|0,1,1]=4 612 B11R1.24 CC1=CC(OCCBr)=CC=C1 7438AE [0,2,0,0,0,0|1,0,0]=3 613 B11R1.24 CC1=CC=CC(CSC#N)=C1 1828AE [0,2,0,0,0,0|1,0,1]=4 614 B11R1.24 CC1=CC=CC(OCCO)=C1 5007AL [0,2,0,0,0,0|0,1,0]=3 615 B11R1.24 CCCCC1=CC=CC(N)=N1 Y4830 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.24 CCCNC1=CC(C)=CC=C1 4247AD [0,2,0,0,0,0|1,0,0]=3 617 B11R1.24 CCCNC1=CC(Cl)=CC=C1 9833AD [0,2,0,0,0,0|1,0,0]=3 618 B11R1.24 CCCOC1=CC=CC(N)=C1 3821AE [0,2,0,0,0,0|1,0,0]=3 619 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.24 ClC1=CC(CCCBr)=CC=C1 V8963 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [0,2,0,0,0,0|1,0,0]=3 622 B11R1.24 NCCCC1=CC=CC(Cl)=C1 HTS033081 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.24 NCCOC1=CC(Br)=CN=C1 2060AA [0,2,0,0,0,0|2,0,0]=4 624 B11R1.24 NCCOC1=CC=CC(F)=C1 Z8223 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.24 O=C=NCC1=CC=CC(F)=C1 7636AC [0,2,0,0,0,0|0,1,1]=4 626 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 3971AD [0,2,0,0,0,0|0,1,0]=3 627 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [0,2,0,0,0,0|0,1,0]=3 628 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 Y4129 [0,2,0,0,0,0|0,1,1]=4 629 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [0,2,0,0,0,0|0,1,0]=3 630 B11R1.34 C=CCC1=CC(Cl)=CC(Cl)=C1 9319AE [0,2,0,0,0,0|1,0,1]=4 631 B11R1.34 CCCC1=CC(O)=CC(=O)O1 2834AJ [0,2,0,0,0,0|2,0,0]=4 632 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 4259AH [0,2,0,0,0,0|2,0,0]=4 633 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 2304AL [0,2,0,0,0,0|2,0,0]=4 634 B11R1.34 CNCC1=CC(F)=CC(F)=C1 2725AF [0,2,0,0,0,0|2,0,0]=4 635 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 X2657 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 6683AB [0,2,0,0,0,0|1,0,1]=4 637 B11R1.157 CC(C)CC1=CC=CC(N)=C1 5897AA [0,2,0,0,0,0|1,0,0]=3 638 B11R1.157 CC1=CC=CC(CC(C)N)=N1 1063AC [0,2,0,0,0,0|2,0,0]=4 639 B11R1.157 FC1=CC=CC(OC(F)F)=C1 1093AE [0,2,0,0,0,0|2,0,0]=4 640 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 9927AB [0,2,0,0,0,0|1,0,1]=4 641 B11R1.189 C=CCC1=CC(C#N)=CC=C1 6708AE [0,2,0,0,0,0|1,0,1]=4 642 B11R1.189 CCCC1=NC=CC(C#N)=C1 Z2605 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [0,2,0,0,0,0|2,0,0]=4 644 B11R1.189 COC1=CC=CC(CON)=C1 4968AB [0,2,0,0,0,0|2,0,0]=4 645 B11R1.189 N#CC1=CC=CC(CCO)=C1 0016AB [0,2,0,0,0,0|0,1,0]=3 646 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [0,2,0,0,0,0|1,0,0]=3 647 B11R1.7 NCC(F)(F)C1=CC=CC=C1 V5700 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.7 NCC(F)(F)C1=NC=CC=C1 2429AB [0,2,0,0,0,0|2,0,0]=4 649 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,2,0,0,0,0|1,0,0]=3 651 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,2,0,0,0,0|0,1,0]=3 652 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,2,0,0,0,0|0,1,0]=3 653 B11R1.12 NCC(CO)C1=CC=CC=C1 2344AL [0,2,0,0,0,0|0,1,0]=3 654 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [0,2,0,0,0,0|1,0,0]=3 655 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,2,0,0,0,0|1,0,0]=3 656 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,2,0,0,0,0|2,0,0]=4 657 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [0,2,0,0,0,0|2,0,0]=4 658 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,2,0,0,0,0|1,0,0]=3 659 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,2,0,0,0,0|1,0,0]=3 660 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,2,0,0,0,0|1,0,0]=3 661 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,2,0,0,0,0|1,0,0]=3 662 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [0,2,0,0,0,0|0,1,0]=3 663 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [0,2,0,0,0,0|0,1,0]=3 664 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.16 N#CCC(N)C1=NC=CC=C1 Z9347 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [0,2,0,0,0,0|1,0,0]=3 667 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [0,2,0,0,0,0|1,0,0]=3 668 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,2,0,0,0,0|0,1,1]=4 669 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,2,0,0,0,0|0,1,1]=4 670 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,2,0,0,0,0|0,1,1]=4 671 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,2,0,0,0,0|1,0,0]=3 672 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,2,0,0,0,0|2,0,0]=4 673 B11R1.36 CC(C)C(N)C1=CC=NC=C1 1775AJ [0,2,0,0,0,0|2,0,0]=4 674 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,2,0,0,0,0|1,0,0]=3 675 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,2,0,0,0,0|0,1,1]=4 677 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl L006 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2418AE [0,2,0,0,0,0|1,0,1]=4 679 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,2,0,0,0,0|0,1,1]=4 680 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [0,2,0,0,0,0|1,0,1]=4 681 B11R1.28 C=CCOBrC1=CC=CC=C1 X5225 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [0,2,0,0,0,0|1,1,0]=4 683 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,2,0,0,0,0|1,0,0]=3 684 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [0,2,0,0,0,0|1,0,0]=3 685 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,2,0,0,0,0|1,0,0]=3 686 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,2,0,0,0,0|1,0,0]=3 687 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,2,0,0,0,0|1,0,0]=3 688 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [0,2,0,0,0,0|0,1,0]=3 689 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,2,0,0,0,0|0,1,0]=3 690 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,2,0,0,0,0|1,1,0]=4 691 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,2,0,0,0,0|1,1,0]=4 692 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,2,0,0,0,0|1,1,0]=4 693 B11R1.28 S=C=NCCC1=CC=CC=C1 J70186 [0,2,0,0,0,0|0,0,1]=3 694 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,2,0,0,0,0|1,0,0]=3 696 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.40 N#CC(F)SC1=CC=CC=C1 7940AL [0,2,0,0,0,0|1,0,1]=4 699 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,2,0,0,0,0|0,0,1]=3 703 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,2,0,0,0,0|1,0,1]=4 704 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,2,0,0,0,0|0,1,1]=4 705 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,2,0,0,0,0|1,0,0]=3 706 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,2,0,0,0,0|1,0,0]=3 707 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,2,0,0,0,0|1,0,0]=3 708 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,2,0,0,0,0|1,0,1]=4 709 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,2,0,0,0,0|1,1,0]=4 710 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,2,0,0,0,0|1,0,1]=4 712 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5351AA [0,2,0,0,0,0|2,0,0]=4 713 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7156AL [0,2,0,0,0,0|2,0,0]=4 714 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 7150AL [0,2,0,0,0,0|1,1,0]=4 715 B9R2.2 C1=CN(C2CC2)C=C1 4548AE [0,0,0,1,1,0|2,0,0]=4 716 B11R2.34 BrC1=CC=C(C2CO2)C=C1 1753AL [0,1,0,1,0,0|0,1,0]=3 717 B11R2.34 ClC1=CC=C(C2CC2)C=C1 V3884 [0,1,0,1,0,0|1,0,0]=3 718 B11R2.34 FC1=CC=C(C2CC2)C=C1 V3957 [0,1,0,1,0,0|1,0,0]=3 719 B11R2.36 BrC1=CC2=C(C=C1)CCN2 V2379 [0,1,0,1,0,0|1,0,0]=3 720 B11R2.36 BrC1=CC2=C(C=C1)COC2 3099AJ [0,1,0,1,0,0|2,0,0]=4 721 B11R2.36 BrC1=CC=C2CCNC2=C1 3136AA [0,1,0,1,0,0|1,0,0]=3 722 B11R2.36 CC1=CC2=C(C=C1)N=CS2 8274AJ [0,1,0,1,0,0|1,0,1]=4 723 B11R2.36 CC1=CC2=C(C=C1)SC=N2 2988AB [0,1,0,1,0,0|1,0,1]=4 724 B11R2.36 CC1=CC=C2CCNC2=C1 3598AJ [0,1,0,1,0,0|1,0,0]=3 725 B11R2.36 ClC1=CC2=C(C=C1)CNC2 0868AC [0,1,0,1,0,0|2,0,0]=4 726 B11R2.36 ClC1=CC2=C(C=C1)CNC2 5317AA [0,1,0,1,0,0|2,0,0]=4 727 B11R2.36 ClC1=CC2=C(C=C1)CNC2 W9372 [0,1,0,1,0,0|2,0,0]=4 728 B11R2.36 ClC1=CC2=C(C=N1)CCN2 1608AB [0,1,0,1,0,0|2,0,0]=4 729 B11R2.36 ClC1=CC=C2CC=CC2=C1 5224AB [0,1,0,1,0,0|1,0,1]=4 730 B11R2.36 ClC1=CC=C2CCCC2=N1 2919AA [0,1,0,1,0,0|2,0,0]=4 731 B11R2.36 FC1=CC2=C(C=C1)CCC2 Z4670 [0,1,0,1,0,0|1,0,0]=3 732 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z5776 [0,1,0,1,0,0|1,0,0]=3 733 B11R2.36 FC1=CC2=C(C=C1)OCC2 1865AB [0,1,0,1,0,0|0,1,0]=3 734 B11R2.36 FC1=CC=C2NCCC2=C1 3212AJ [0,1,0,1,0,0|1,0,0]=3 735 B11R2.36 IC1=CC2=C(C=C1)CCC2 3759AD [0,1,0,1,0,0|1,0,0]=3 736 B11R2.36 IC1=CC2=C(C=C1)NCC2 3233AJ [0,1,0,1,0,0|1,0,0]=3 737 B11R2.36 IC1=CC2=C(C=C1)SC=N2 4855AC [0,1,0,1,0,0|1,0,1]=4 738 B11R2.36 IC1=CC=C2NCCC2=C1 3234AJ [0,1,0,1,0,0|1,0,0]=3 739 B11R2.36 NC1=CC2=C(C=C1)CCN2 9087AD [0,1,0,1,0,0|1,0,0]=3 740 B11R2.36 NC1=CC2=C(C=C1)CNC2 6912AB [0,1,0,1,0,0|2,0,0]=4 741 B11R2.36 NC1=CC2=C(CCC2)N=C1 5954AD [0,1,0,1,0,0|2,0,0]=4 742 B11R2.36 NC1=CC=C2CNCC2=C1 6301AB [0,1,0,1,0,0|2,0,0]=4 743 B11R2.36 NC1=CC=C2SC=CC2=C1 W4319 [0,1,0,1,0,0|0,0,2]=4 744 B11R2.36 O=C1C=CC2=C(CCC2)N1 V8629 [0,1,0,1,0,0|2,0,0]=4 745 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [0,1,0,1,0,0|0,1,0]=3 746 B11R2.36 OC1=CC=C2OCCC2=C1 X7949 [0,1,0,1,0,0|0,1,0]=3 747 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,1,0,1,0,0|0,0,2]=4 748 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [0,1,0,1,0,0|1,0,1]=4 749 B11R2.20 C1=CC2=C(C=C1)CNNC2 5003AJ [0,1,0,1,0,0|2,0,0]=4 750 B11R2.20 C1=CC2=C(C=C1)OCCN2 6903AC [0,1,0,1,0,0|0,1,0]=3 751 B11R2.20 C1=CC2=C(C=N1)CCCO2 5895AE [0,1,0,1,0,0|1,1,0]=4 752 B11R2.20 C1=CC2=C(C=N1)CCNC2 W5369 [0,1,0,1,0,0|2,0,0]=4 753 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,1,0,1,0,0|2,0,0]=4 754 B11R2.20 C1=CC2=C(C=N1)NCCO2 2081AJ [0,1,0,1,0,0|1,1,0]=4 755 B11R2.20 C1=CC2=C(C=N1)OCCN2 6547AD [0,1,0,1,0,0|1,1,0]=4 756 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [0,1,0,1,0,0|2,0,0]=4 757 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [0,1,0,1,0,0|2,0,0]=4 758 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,1,0,1,0,0|1,1,0]=4 759 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [0,1,0,1,0,0|1,1,0]=4 760 B11R2.20 C1=CC=C2CCN=CC2=C1 3596AB [0,1,0,1,0,0|1,0,0]=3 761 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,1,0,1,0,0|0,0,0]=2 762 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,1,0,1,0,0|1,1,0]=4 763 B11R2.20 C1=CN=C2OCCCC2=C1 2080AJ [0,1,0,1,0,0|1,1,0]=4 764 B11R2.20 C1=NC=C2CCNCC2=C1 9567AH [0,1,0,1,0,0|2,0,0]=4 765 B11R2.20 C1=NC=C2CNCCC2=C1 6197AB [0,1,0,1,0,0|2,0,0]=4 766 B11R2.55 BrC1=C(C2CC2)C=CC=C1 8539AB [0,1,0,1,0,0|1,0,0]=3 767 B11R2.55 ClC1=C(C2CO2)C=CC=C1 U890 [0,1,0,1,0,0|0,1,0]=3 768 B11R2.55 NC1=CC=CC=C1C2CC2 Z0502 [0,1,0,1,0,0|1,0,0]=3 769 B11R2.106 BrC1=C2CCNC2=CC=C1 3117AA [0,1,0,1,0,0|1,0,0]=3 770 B11R2.106 BrC1=C2CCOC2=CC=C1 2682AJ [0,1,0,1,0,0|0,1,0]=3 771 B11R2.106 BrC1=C2NCCC2=CC=C1 3688AJ [0,1,0,1,0,0|1,0,0]=3 772 B11R2.106 CC1=C2CCNC2=CC=C1 3110AA [0,1,0,1,0,0|1,0,0]=3 773 B11R2.106 CC1=C2NCCC2=CC=C1 0068AC [0,1,0,1,0,0|1,0,0]=3 774 B11R2.106 CC1=CC=CC2=C1CNC2 Y9957 [0,1,0,1,0,0|2,0,0]=4 775 B11R2.106 ClC1=CC=CC2=C1CCO2 2671AL [0,1,0,1,0,0|0,1,0]=3 776 B11R2.106 ClC1=NC=CC2=C1CCN2 6698AB [0,1,0,1,0,0|2,0,0]=4 777 B11R2.106 FC1=C2OCOC2=CC=C1 V9421 [0,1,0,1,0,0|1,1,0]=4 778 B11R2.106 FC1=C2SC=CC2=CC=C1 Z1706 [0,1,0,1,0,0|0,0,2]=4 779 B11R2.106 FC1=CC=CC2=C1CCN2 Y9446 [0,1,0,1,0,0|1,0,0]=3 780 B11R2.106 FC1=CC=CC2=C1N=CS2 8148AJ [0,1,0,1,0,0|1,0,1]=4 781 B11R2.106 IC1=C2CCNC2=CC=C1 3116AA [0,1,0,1,0,0|1,0,0]=3 782 B11R2.106 IC1=CC=CC2=C1CCN2 Y4772 [0,1,0,1,0,0|1,0,0]=3 783 B11R2.106 NC1=C2C=CSC2=CC=C1 3827AJ [0,1,0,1,0,0|0,0,2]=4 784 B11R2.106 NC1=C2CCCC2=NC=C1 Z5126 [0,1,0,1,0,0|2,0,0]=4 785 B11R2.106 NC1=C2N=CSC2=CC=C1 X3010 [0,1,0,1,0,0|1,0,1]=4 786 B11R2.106 NC1=C2NCCC2=CC=C1 4155AJ [0,1,0,1,0,0|1,0,0]=3 787 B11R2.106 NC1=CC=CC2=C1C=CS2 8994AA [0,1,0,1,0,0|0,0,2]=4 788 B11R2.106 NC1=CC=CC2=C1CNC2 5573AC [0,1,0,1,0,0|2,0,0]=4 789 B11R2.106 NC1=CC=CC2=C1CNC2 5585AC [0,1,0,1,0,0|2,0,0]=4 790 B11R2.106 O=C1C=CC=C2NCCN12 0091AA [0,1,0,1,0,0|2,0,0]=4 791 B11R2.106 OC1=CC=CC2=C1C=CS2 4546AB [0,1,0,1,0,0|0,0,2]=4 792 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 2974AL [0,1,0,1,0,0|2,0,0]=4 793 B11R2.988 NCC1CC2=C1C=CC=C2 7180AC [0,1,0,1,0,0|1,0,0]=3 794 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,1,0,1,0,0|0,1,1]=4 795 B11R2.35 BrC1=CC(C2CC2)=NC=C1 1717AA [0,1,0,1,0,0|2,0,0]=4 796 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 I069 [0,1,0,1,0,0|0,1,0]=3 797 B11R2.1 NC1=CSC2=CC=CC=C12 Y5306 [0,1,0,1,0,0|0,0,2]=4 798 B11R2.1 NC1=NCC2=C1C=CC=C2 V4519 [0,1,0,1,0,0|1,0,1]=4 799 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,1,0,1,0,0|2,0,0]=4 800 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,1,0,1,0,0|0,1,0]=3 801 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,1,0,1,0,0|0,1,0]=3 802 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,1,0,1,0,0|0,1,0]=3 803 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,1,0,1,0,0|1,1,0]=4 804 B11R2.1 O=C1CCC2=C1C=NC=C2 W6676 [0,1,0,1,0,0|1,1,0]=4 805 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,1,0,1,0,0|1,1,0]=4 806 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,1,0,1,0,0|0,1,0]=3 807 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,1,0,1,0,0|1,1,0]=4 808 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,1,0,1,0,0|1,0,0]=3 809 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,1,0,1,0,0|1,0,0]=3 810 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,1,0,1,0,0|1,0,0]=3 811 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,1,0,1,0,0|1,0,0]=3 812 B11R2.40 NC1(C2=CC=NC=C2)CC1 2692AD [0,1,0,1,0,0|2,0,0]=4 813 B11R2.40 NC1(C2=CN=CC=C2)CC1 6906AB [0,1,0,1,0,0|2,0,0]=4 814 B11R2.40 NC1(C2=NC=CC=C2)CC1 6037AB [0,1,0,1,0,0|2,0,0]=4 815 B11R2.239 C1=CC(C2CNC2)=CC=N1 4510AA [0,1,0,1,0,0|2,0,0]=4 816 B11R2.239 C1=CC=C(C2CNC2)N=C1 0585AB [0,1,0,1,0,0|2,0,0]=4 817 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,0,1,0|2,0,0]=4 819 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,0,1,0|2,0,0]=4 820 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,0,1,0|2,0,0]=4 821 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,1,0|2,0,0]=4 822 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|2,0,0]=4 824 B7R1.1 NCC1=COC=C1 Y9148 [1,0,0,0,1,0|2,0,0]=4 825 B7R1.1 NCC1=CSC=C1 Z3907 [1,0,0,0,1,0|2,0,0]=4