0 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 9483AH [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 CC(=O)C1=CN=C(C#N)C=N1 5435AC [0,0,0,0,0,0|4,0,0]=4 2 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4489AD [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 0840AB [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 3415AB [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 COC1=CC=C(C(C)N)C=C1 4964AJ [0,0,0,0,0,0|1,0,1]=2 6 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 COC1=NC=C(B(O)O)C=C1 X0749 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Z0528 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 COC1=NC=C([N+](=O)[O-])C=N1 W3059 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 CSC1=CC=C(C(=O)Cl)C=C1 0486AQ [0,0,0,0,0,0|1,1,0]=2 11 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 W4398 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.3 O=C(Br)C1=CC=C(CBr)C=C1 Z2833 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 2161AC [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 O=[N+]([O-])C1=CC=C(CS)C=C1 0403AQ [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 [C@@H](C)(N)C1=CC=C(C#N)C=C1 0683AP [0,0,0,0,0,0|3,0,1]=4 16 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [1,0,0,0,0,0|1,0,2]=4 17 B10R1.3 C#CC1=NC=C(OC)C=C1 3383AA [1,0,0,0,0,0|1,0,2]=4 18 B10R1.3 C=CC1=CC=C(C#N)C=C1 8141AJ [1,0,0,0,0,0|2,0,1]=4 19 B10R1.3 CCC1=CC=C(CBr)C=C1 9519AH [1,0,0,0,0,0|2,0,1]=4 20 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [1,0,0,0,0,0|2,0,1]=4 22 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [1,0,0,0,0,0|2,0,1]=4 24 B10R1.3 COC1=CN=C(OC)C=C1 Z0918 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 COC1=NC=C(NN)C=C1 Z4309 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 CSC1=CC=C(NN)C=C1 1474AE [1,0,0,0,0,0|2,1,0]=4 29 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.3 N#CC1=CN=C(C=O)C=C1 W4334 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 7787AC [1,0,0,0,0,0|1,0,1]=3 32 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [1,0,0,0,0,0|1,0,0]=2 33 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,0,0,0,0,0|2,0,0]=3 34 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,0,0,0,0,0|1,0,0]=2 35 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [1,0,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(=O)C1=CN=C(O)C=N1 2581AA [1,0,0,0,0,0|2,0,0]=3 37 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [1,0,0,0,0,0|3,0,0]=4 38 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 1606AL [1,0,0,0,0,0|2,0,1]=4 39 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [1,0,0,0,0,0|2,0,1]=4 40 B10R1.13 CC(C)C1=CC=C(S)C=C1 L740 [1,0,0,0,0,0|1,1,1]=4 41 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,0,0,0,0,0|2,0,1]=4 42 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,0,0,0,0,0|2,0,1]=4 43 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [1,0,0,0,0,0|1,0,0]=2 44 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 5443AB [1,0,0,0,0,0|1,0,1]=3 47 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.13 CC1=NN=C(C(=O)O)C=C1 Y9703 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 X4561 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 0354AA [1,0,0,0,0,0|1,0,2]=4 52 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,0,0,0,0,0|1,0,1]=3 53 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,0,0,0,0,0|1,0,2]=4 54 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [1,0,0,0,0,0|3,0,0]=4 58 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 7653AF [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 O=C(O)C1=CN=C(O)N=C1 W5910 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [1,0,0,0,0,0|3,0,0]=4 61 B10R1.13 O=[N+]([O-])C1=NC=C(O)C=C1 W3318 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [1,0,0,0,0,0|3,0,0]=4 63 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 X9190 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.5 CCC1=CC=C(C(=O)NN)C=C1 Y9705 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 V3654 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.5 CNC(=O)C1=CC=C(SC)C=C1 7628AB [0,1,0,0,0,0|0,1,0]=2 67 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 1521AA [0,1,0,0,0,0|3,0,0]=4 68 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 Y7491 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 X3533 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.5 COC(=O)C1=CC=C(SC)C=C1 4870AB [0,1,0,0,0,0|0,1,0]=2 71 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 5893AA [0,1,0,0,0,0|3,0,0]=4 72 B12R1.5 COC1=CC=C(C(=O)C#N)C=C1 8793AH [0,1,0,0,0,0|0,0,1]=2 73 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 2924AE [0,1,0,0,0,0|0,0,0]=1 74 B12R1.5 COC1=CC=C(C(=O)ON)C=C1 1197AF [0,1,0,0,0,0|1,0,0]=2 75 B12R1.5 COC1=CC=C(C(O)CN)C=C1 5057AH [0,1,0,0,0,0|0,0,2]=3 76 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 6568AL [0,1,0,0,0,0|1,0,0]=2 77 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 W5449 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.5 COC1=CN=C(C(=O)NN)C=C1 5008AA [0,1,0,0,0,0|2,0,0]=3 79 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 7517AB [0,1,0,0,0,0|0,1,1]=3 80 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 W4089 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 4284AB [0,1,0,0,0,0|3,0,0]=4 82 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 3443AA [0,1,0,0,0,0|2,0,0]=3 83 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 X9671 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.6 CSC1=CC=C(S(=O)(=O)Cl)C=C1 Z2772 [0,1,0,0,0,0|2,1,0]=4 85 B12R1.48 CC(=O)C1=CC=C(C#N)C(S)=N1 5823AD [0,1,0,0,0,0|3,0,0]=4 86 B12R1.48 CC1=CC(C(=O)O)=CC=C1C=O V4609 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 6984AC [0,1,0,0,0,0|2,0,0]=3 88 B12R1.48 CCC1=CC=C(C(=O)O)C=C1I 6156AJ [0,1,0,0,0,0|2,0,0]=3 89 B12R1.48 CCC1=CC=C(C(=O)O)C=C1O Q690 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.48 CNC1=CC=C([N+](=O)[O-])C=C1Br V7313 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.48 COC1=C(Br)C=C(C(=N)N)C=C1 2191AJ [0,1,0,0,0,0|2,0,0]=3 92 B12R1.48 COC1=C(Br)C=C(C(=N)N)C=C1 2192AJ [0,1,0,0,0,0|2,0,0]=3 93 B12R1.48 COC1=C(Br)C=C(C(N)=O)C=C1 6775AD [0,1,0,0,0,0|1,0,0]=2 94 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Cl 4510AC [0,1,0,0,0,0|3,0,0]=4 95 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1F 5389AA [0,1,0,0,0,0|3,0,0]=4 96 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 5479AC [0,1,0,0,0,0|3,0,0]=4 97 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 5439AB [0,1,0,0,0,0|1,0,0]=2 98 B12R1.113 CC(=O)C1=CC=C(CCCl)C=C1 8308AE [0,1,0,0,0,0|1,0,0]=2 99 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 2970AF [0,1,0,0,0,0|2,0,1]=4 100 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 1722AE [0,1,0,0,0,0|3,0,0]=4 101 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 V1636 [0,1,0,0,0,0|1,1,0]=3 102 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 6886AC [0,1,0,0,0,0|2,0,0]=3 103 B12R1.113 CCOC1=NC=C(C(=O)O)C=C1 W9824 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.113 CCOC1=NC=C(C(=O)O)N=C1 4192AA [0,1,0,0,0,0|3,0,0]=4 105 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 7699AC [0,1,0,0,0,0|3,0,0]=4 106 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 W6734 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4511AF [0,1,0,0,0,0|2,0,0]=3 108 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 Z6667 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 2886AC [0,1,0,0,0,0|3,0,0]=4 110 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 7853AE [0,1,0,0,0,0|1,0,0]=2 111 B12R1.113 CSCC1=CC=C(C(=O)O)C=C1 0287AC [0,1,0,0,0,0|1,1,0]=3 112 B12R1.113 NC(=O)C1=CC=C(N=C=S)C=C1 Z2884 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.256 C=C(C)C1=CC=C(C(=C)C)C=C1 8094AA [0,1,0,0,0,0|2,0,0]=3 114 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 Y9735 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 8973AE [0,1,0,0,0,0|2,0,1]=4 116 B12R1.256 CC(C)C1=CC=C(C(N)=S)C=C1 5121AE [0,1,0,0,0,0|2,1,0]=4 117 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 2416AJ [0,1,0,0,0,0|2,0,0]=3 118 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 2771AB [0,1,0,0,0,0|2,0,0]=3 119 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 Z3701 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 4031AB [0,1,0,0,0,0|1,1,0]=3 121 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 2000AA [0,1,0,0,0,0|2,0,0]=3 122 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 2927AH [0,1,0,0,0,0|2,0,0]=3 123 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 1165AB [0,1,0,0,0,0|3,0,0]=4 124 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 9180AH [0,1,0,0,0,0|2,0,0]=3 125 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 5765AB [0,1,0,0,0,0|3,0,0]=4 126 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 9023AL [0,1,0,0,0,0|3,0,0]=4 127 B12R1.452 CC(=O)C1=CC=C(C#N)C=C1C 5552AH [0,1,0,0,0,0|2,0,0]=3 128 B12R1.452 CNC1=CC=C(C(=O)O)C(O)=C1 0735AC [0,1,0,0,0,0|2,0,0]=3 129 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 R458 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 5625AB [0,1,0,0,0,0|0,0,0]=1 131 B12R1.452 COC1=CC=C(C(=O)O)C(C)=N1 Y7274 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.452 COC1=CC=C(C(=O)O)C(I)=C1 Z4862 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=N1 W5602 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 5399AA [0,1,0,0,0,0|2,0,0]=3 135 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 1537AJ [0,1,0,0,0,0|2,0,0]=3 136 B12R1.452 COC1=NC=C([N+](=O)[O-])C(N)=C1 Y7355 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.452 CSC1=NC(C)=C(C(C)=O)C=N1 4573AH [0,1,0,0,0,0|2,1,0]=4 138 B12R1.452 N#CC1=CC=C(C(=O)O)C(I)=C1 4996AA [0,1,0,0,0,0|3,0,0]=4 139 B12R2.1384 O=C(O)C1=CC=C2C=CC2=C1 L676 [0,0,0,1,0,0|2,0,1]=4 140 B10R1.31 C#CC1=CC=C(C(C)=O)S1 0109AC [0,0,0,0,1,0|2,0,1]=4 141 B10R1.31 CC(=O)C1=CC(C=O)=CS1 3015AE [0,0,0,0,1,0|3,0,0]=4 142 B10R1.31 CCC1=CC(C(=O)O)=CS1 Y1108 [0,0,0,0,1,0|3,0,0]=4 143 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 9939AB [0,0,0,0,1,0|3,0,0]=4 144 B10R1.31 CCC1=CC=C(C(=O)O)O1 8236AB [0,0,0,0,1,0|3,0,0]=4 145 B10R1.31 CCC1=CC=C(C(=O)O)S1 Z2977 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.31 CCN1C=C(C(C)=O)C=N1 3333AF [0,0,0,0,1,0|3,0,0]=4 147 B10R1.31 COC1=CC=C(C(=O)O)O1 3836AF [0,0,0,0,1,0|2,0,0]=3 148 B10R1.31 COC1=NOC(C(=O)O)=C1 6455AA [0,0,0,0,1,0|3,0,0]=4 149 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 4419AB [0,0,0,0,0,1|1,0,1]=3 150 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,0,0,0,0,1|1,1,1]=4 151 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,0,0,0,0,1|1,0,0]=2 152 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 X4658 [0,0,0,0,0,1|2,0,0]=3 153 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 1126AQ [0,0,0,0,0,1|2,0,0]=3 154 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,0,0,0,0,1|2,0,0]=3 155 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 6985AL [0,0,0,0,0,1|1,0,0]=2 156 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 Z2397 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 V8890 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 0374AC [0,0,0,0,0,1|2,0,0]=3 159 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 X5525 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [0,0,0,0,0,1|1,0,1]=3 161 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X9403 [0,0,0,0,0,1|3,0,0]=4 162 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,0,0,0,0,1|3,0,0]=4 163 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,0,0,0,0,1|3,0,0]=4 164 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [2,0,0,0,0,0|0,0,1]=3 166 B9R1.1 CCC1=CC=C(S)C=C1 S243 [2,0,0,0,0,0|0,1,1]=4 167 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 CNC1=CC=C(Br)C=C1 V7923 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 CNC1=CC=C(Cl)C=C1 V5059 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 CNC1=CC=C(N)C=C1 F921 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 CSC1=CC=C(S)C=C1 U208 [2,0,0,0,0,0|0,2,0]=4 172 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [2,0,0,0,0,0|1,0,1]=4 174 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [2,0,0,0,0,0|2,0,0]=4 177 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [2,0,0,0,0,0|2,0,0]=4 180 B9R1.6 O=C([O-])C1=NC=CC=C1 8839AL [2,0,0,0,0,0|2,0,0]=4 181 B11R1.83 CCOC1=CC=C(NN)C=C1 9336AE [1,1,0,0,0,0|2,0,0]=4 182 B11R1.83 COC1=CC=C(CNO)C=C1 7133AB [1,1,0,0,0,0|0,0,2]=4 183 B11R1.83 COC1=CC=C(NC=O)C=C1 6567AL [1,1,0,0,0,0|0,0,0]=2 184 B11R1.83 COC1=CC=C(\C=N\O)C=C1 5634AH [1,1,0,0,0,0|0,0,1]=3 185 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [1,1,0,0,0,0|0,0,2]=4 186 B11R1.83 COCC1=CC=C(OC)C=C1 W3311 [1,1,0,0,0,0|0,0,1]=3 187 B11R1.83 COCC1=NC=C(C=O)C=N1 4865AH [1,1,0,0,0,0|2,0,0]=4 188 B11R1.83 O=CC1=CC=C(CCO)C=C1 8288AA [1,1,0,0,0,0|1,0,0]=3 189 B11R1.279 CC1=CC(C#N)=CC=C1C=O Z0464 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.279 CCC1=CC=C(OC)C(Br)=C1 V9924 [1,1,0,0,0,0|0,0,1]=3 191 B11R1.279 CCC1=CC=C(OC)C=C1O 2074AL [1,1,0,0,0,0|0,0,1]=3 192 B11R1.279 COC1=C(Br)C=C(CN)C=C1 4741AJ [1,1,0,0,0,0|1,0,1]=4 193 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 3741AB [1,1,0,0,0,0|1,0,0]=3 194 B11R1.279 COC1=C(I)C=C(CO)C=C1 4275AH [1,1,0,0,0,0|0,0,2]=4 195 B11R1.279 COC1=C(N)C=C(CO)C=C1 2341AA [1,1,0,0,0,0|0,0,2]=4 196 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 8489AH [1,1,0,0,0,0|0,0,2]=4 197 B11R1.279 COC1=CC=C(CBr)C(Cl)=C1 7963AB [1,1,0,0,0,0|1,0,1]=4 198 B11R1.279 COC1=CC=C(CCl)C=C1F 1271AE [1,1,0,0,0,0|1,0,1]=4 199 B11R1.279 COC1=CC=C(CN)C(F)=C1 5987AC [1,1,0,0,0,0|1,0,1]=4 200 B11R1.279 COC1=CC=C(CN)C=C1F 1411AL [1,1,0,0,0,0|1,0,1]=4 201 B11R1.279 COC1=CC=C(NN)C(C)=C1 X7938 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.279 COC1=CC=C(OC)C(Br)=N1 Z8277 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 6514AC [1,1,0,0,0,0|1,0,0]=3 204 B11R1.279 COC1=NC=C(C=O)C=C1Br Z0761 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.279 COC1=NC=C(C=O)C=C1F Z5255 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [1,1,0,0,0,0|1,1,0]=4 208 B11R1.279 N#CC1=CC=C(C=O)C(O)=C1 S689 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.279 N#CC1=CC=C(C=O)C=C1Br 5479AJ [1,1,0,0,0,0|2,0,0]=4 210 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 0487AB [1,1,0,0,0,0|2,0,0]=4 211 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 3478AC [1,1,0,0,0,0|2,0,0]=4 212 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 3773AA [1,1,0,0,0,0|2,0,0]=4 213 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 5422AL [1,1,0,0,0,0|2,0,0]=4 214 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 5497AL [1,1,0,0,0,0|2,0,0]=4 215 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X3142 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 0063AQ [1,1,0,0,0,0|2,0,0]=4 217 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 5137AJ [1,1,0,0,0,0|2,0,0]=4 218 B11R1.19 O=[As](O)(O)C1=CC=C(O)C=C1 7666AF [1,1,0,0,0,0|2,0,0]=4 219 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 X7016 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.21 CC(=O)C1=CC(I)=C(O)C=C1 1108AQ [1,1,0,0,0,0|0,0,0]=2 221 B11R1.21 CC(=O)C1=CC(N)=C(Br)C=C1 1073AQ [1,1,0,0,0,0|1,0,0]=3 222 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 8759AA [1,1,0,0,0,0|0,0,0]=2 223 B11R1.21 CC(=O)C1=CC=C(C)C(O)=C1 W5512 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.21 CC(=O)C1=CN=C(C)C(C)=N1 7817AB [1,1,0,0,0,0|2,0,0]=4 225 B11R1.21 CC(C)C1=CC(Br)=C(O)C=C1 6556AD [1,1,0,0,0,0|1,0,1]=4 226 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 7727AC [1,1,0,0,0,0|1,0,1]=4 227 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 2930AF [1,1,0,0,0,0|1,0,1]=4 228 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 2091AJ [1,1,0,0,0,0|1,1,0]=4 229 B11R1.21 CC1=C(F)C=C(C(N)=S)C=C1 5832AD [1,1,0,0,0,0|1,1,0]=4 230 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 5252AH [1,1,0,0,0,0|2,0,0]=4 231 B11R1.21 CC1=CC=C(C(=O)O)N=C1C 2856AC [1,1,0,0,0,0|2,0,0]=4 232 B11R1.21 CC1=CC=C(C(=O)O)NC1=O 2494AA [1,1,0,0,0,0|2,0,0]=4 233 B11R1.21 CC1=CC=C(C(C)C)C=C1N B800 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.21 CC1=CC=C([C@H](C)N)C=C1Cl 3803AA [1,1,0,0,0,0|1,0,1]=4 235 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 6127AC [1,1,0,0,0,0|2,0,0]=4 236 B11R1.21 NC(=O)C1=CC(O)=C(O)C=C1 9447AJ [1,1,0,0,0,0|1,0,0]=3 237 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 Z8676 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 V7781 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.21 NC(=O)C1=CC=C(Cl)C(Cl)=C1 8805AD [1,1,0,0,0,0|2,0,0]=4 240 B11R1.21 NC(=O)C1=CC=C(N)C(N)=C1 8382AE [1,1,0,0,0,0|2,0,0]=4 241 B11R1.21 NC1=CC(C(=O)O)=CC=C1F V5597 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [1,1,0,0,0,0|2,0,0]=4 244 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 X6546 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.21 O=C([O-])C1=CC=C(F)C(F)=C1 3820AL [1,1,0,0,0,0|2,0,0]=4 246 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [1,1,0,0,0,0|1,0,1]=4 247 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 7936AB [1,1,0,0,0,0|0,0,0]=2 248 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [1,1,0,0,0,0|0,0,2]=4 249 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [1,1,0,0,0,0|0,0,2]=4 250 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [1,1,0,0,0,0|1,0,0]=3 251 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 1437AL [1,1,0,0,0,0|1,0,0]=3 252 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [1,1,0,0,0,0|1,0,1]=4 253 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [1,1,0,0,0,0|2,0,0]=4 254 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [1,1,0,0,0,0|1,0,1]=4 255 B11R1.22 CNC(=O)C1=CC=C(O)C=C1 2642AB [1,1,0,0,0,0|0,0,0]=2 256 B11R1.22 COC(=O)C1=CC=C(N)C=C1 3562AL [1,1,0,0,0,0|1,0,0]=3 257 B11R1.22 COC(=O)C1=CN=C(C)N=C1 5600AE [1,1,0,0,0,0|2,0,0]=4 258 B11R1.22 COC(=O)C1=CN=C(I)C=C1 V3781 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.22 COC(=O)C1=NN=C(C)C=C1 8321AC [1,1,0,0,0,0|2,0,0]=4 260 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [1,1,0,0,0,0|1,0,1]=4 261 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 2661AL [1,1,0,0,0,0|1,0,1]=4 262 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 7543AE [1,1,0,0,0,0|1,0,1]=4 263 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [1,1,0,0,0,0|1,0,0]=3 264 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [1,1,0,0,0,0|1,0,0]=3 265 B11R1.22 NNC(=O)C1=NC=C(O)C=C1 Z2983 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.22 O=C(CBr)C1=CC=C(Br)N=C1 Y6042 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 7216AA [1,1,0,0,0,0|2,0,0]=4 268 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 Y4820 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [1,1,0,0,0,0|0,0,0]=2 270 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 3895AB [1,1,0,0,0,0|1,0,0]=3 272 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [1,1,0,0,0,0|1,0,0]=3 273 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 A977 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [1,1,0,0,0,0|0,0,1]=3 275 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 W4184 [1,1,0,0,0,0|0,0,1]=3 276 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 1378AL [1,1,0,0,0,0|0,0,0]=2 277 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 5596AH [1,1,0,0,0,0|1,0,0]=3 278 B11R1.166 CC(=O)C1=CC=C(Br)C=C1N X9573 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 2069AF [1,1,0,0,0,0|2,0,0]=4 280 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F Z7758 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1Cl 6873AA [1,1,0,0,0,0|2,0,0]=4 282 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 1357AA [1,1,0,0,0,0|2,0,0]=4 283 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [1,1,0,0,0,0|2,0,0]=4 284 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 6144AD [1,1,0,0,0,0|2,0,0]=4 285 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 1620AJ [1,1,0,0,0,0|2,0,0]=4 286 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 X9715 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 4852AB [1,1,0,0,0,0|2,0,0]=4 288 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl V5905 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.166 NC(=O)C1=CN=C(O)C=C1O 6041AJ [1,1,0,0,0,0|2,0,0]=4 290 B11R1.166 NC1=CC(O)=NC=C1C(=O)O Z5190 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.166 O=C(O)C1=CC=C(I)C=C1O 8615AA [1,1,0,0,0,0|2,0,0]=4 292 B11R1.124 CCOC1=CC=C(C(=O)O)O1 9541AC [0,1,0,0,1,0|2,0,0]=4 293 B11R1.124 CCOC1=CC=C(C(=O)O)S1 6357AJ [0,1,0,0,1,0|2,0,0]=4 294 B13R1.5 C=CC1=CC=C(CC(=O)OC)C=C1 6914AJ [0,1,0,0,0,1|1,0,1]=4 295 B13R1.5 CCC(=O)OC1=CC=C(C=O)C=C1 4366AE [0,1,0,0,0,1|2,0,0]=4 296 B13R1.5 COC(=O)NC1=CC=C(OC)C=C1 4552AD [0,1,0,0,0,1|0,0,0]=2 297 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 0810AF [0,1,0,0,0,1|0,0,0]=2 298 B13R1.5 COC1=CC=C(NC(=S)NN)C=C1 5370AB [0,1,0,0,0,1|1,1,0]=4 299 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 5943AC [0,1,0,0,0,1|1,0,1]=4 300 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 8625AA [0,1,0,0,0,1|0,0,0]=2 301 B13R1.35 COC1=CC=C(NC(C)=O)C=C1Cl 8498AE [0,1,0,0,0,1|0,0,0]=2 302 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 6236AA [0,1,0,0,0,1|1,0,0]=3 303 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 X3138 [0,1,0,0,0,1|1,0,0]=3 304 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 1870AB [0,1,0,0,0,1|1,0,0]=3 305 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 V7512 [0,1,0,0,0,1|1,1,0]=4 306 B13R1.142 CC(=O)NC1=CC=C(CCO)C=C1 3688AL [0,1,0,0,0,1|1,0,0]=3 307 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 4950AH [0,1,0,0,0,1|2,0,0]=4 308 B13R1.585 CC(=O)NC1=CC=C(S(=O)[O-])C=C1 7986AA [0,1,0,0,0,1|1,1,0]=4 309 B13R1.585 CC(=O)NC1=CC=C([C@@H](C)N)C=C1 9047AH [0,1,0,0,0,1|1,0,0]=3 310 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 5412AE [0,1,0,0,0,1|0,0,0]=2 311 B13R1.653 COC1=CC=C(CC(=O)O)C(Br)=C1 X2673 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.653 COC1=CC=C(CC(C)=O)C(O)=C1 6279AC [0,1,0,0,0,1|0,0,0]=2 313 B13R1.653 COC1=CC=C(NC(C)=O)C(Br)=C1 V7779 [0,1,0,0,0,1|0,0,0]=2 314 B13R1.95 COC(=O)C1=C(Cl)C=C(C#N)C=C1 6914AC [0,2,0,0,0,0|2,0,0]=4 315 B13R1.95 COC(=O)C1=CC=C(OC)N=C1N 1538AJ [0,2,0,0,0,0|1,0,0]=3 316 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 3202AA [0,2,0,0,0,0|0,0,1]=3 317 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 V9168 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 0839AD [0,2,0,0,0,0|1,0,1]=4 319 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 3370AF [0,2,0,0,0,0|1,0,1]=4 320 B13R1.139 CCOC1=CC=C(C(O)CC)C=C1 7742AC [0,2,0,0,0,0|0,0,2]=4 321 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 8209AB [0,2,0,0,0,0|1,0,0]=3 322 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 Y4060 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.139 COCC1=CC=C(C(=O)OC)C=C1 3557AL [0,2,0,0,0,0|0,0,0]=2 324 B13R1.139 [N-]=[N+]=NC1=CC=C(C(=O)CBr)C=C1 5568AH [0,2,0,0,0,0|2,0,0]=4 325 B13R1.187 CNS(=O)(=O)C1=CC=C(OC)C=C1 8395AE [0,2,0,0,0,0|1,0,0]=3 326 B13R1.187 COC1=CC=C(C(C)(C)CN)C=C1 V6337 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.187 COC1=CC=C(C(F)(F)CO)C=C1 5319AJ [0,2,0,0,0,0|1,0,1]=4 328 B13R1.452 CCC1=CC=C(C(=O)CC#N)C=C1 4517AF [0,2,0,0,0,0|1,0,0]=3 329 B13R1.452 CCOC(=O)C1=CC=C(CCl)C=C1 F976 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 0512AC [0,2,0,0,0,0|1,0,1]=4 331 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 1210AL [0,2,0,0,0,0|1,0,1]=4 332 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 3851AC [0,2,0,0,0,0|1,0,1]=4 333 B13R1.537 CCC(=O)C1=CC=C(B(O)O)C=C1 X0591 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.537 CCC(=O)C1=CC=C(C(=O)O)C=C1 3077AE [0,2,0,0,0,0|2,0,0]=4 335 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 8977AD [0,2,0,0,0,0|1,0,0]=3 336 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 9413AE [0,2,0,0,0,0|1,0,0]=3 337 B13R1.537 CN(C)C1=CC=C(C(=O)CN)C=C1 W3322 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.537 CNC(=O)C1=CC=C(C(=O)O)C=C1 8032AD [0,2,0,0,0,0|2,0,0]=4 339 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 7067AJ [0,2,0,0,0,0|2,0,0]=4 340 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 2417AJ [0,2,0,0,0,0|1,0,0]=3 341 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 3829AH [0,2,0,0,0,0|1,0,0]=3 342 B13R1.537 COC(=O)C1=CC=C(C(C)O)C=C1 3553AL [0,2,0,0,0,0|1,0,0]=3 343 B13R1.537 COC(=O)C1=CC=C(N(C)C)N=C1 Z0449 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 9009AH [0,2,0,0,0,0|1,0,0]=3 345 B13R1.537 COC(=O)C1=NC=C(C(=O)O)C=C1 V3866 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.537 NCC(=O)C1=CC=C([N+](=O)[O-])C=C1 B902 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.3088 CCC(=O)C1=CC(Cl)=C(OC)C=C1 3686AE [0,2,0,0,0,0|0,0,0]=2 348 B13R1.3088 CCC(=O)C1=CC(F)=C(OC)C=C1 8702AB [0,2,0,0,0,0|0,0,0]=2 349 B13R1.3088 CCN(O)C1=CC=C(OC)C(N)=C1 U987 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.3088 CNC1=C(Br)C=C(C(=O)OC)C=N1 3015AD [0,2,0,0,0,0|2,0,0]=4 351 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=N1 V4322 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.3088 COC(=O)C1=CC(C)=C(OC)N=C1 7925AD [0,2,0,0,0,0|1,0,0]=3 353 B13R1.3088 COC(=O)C1=CC(N)=C(OC)N=C1 8812AB [0,2,0,0,0,0|1,0,0]=3 354 B13R1.3088 COC(=O)C1=CC=C(C#N)C(Br)=C1 6096AC [0,2,0,0,0,0|2,0,0]=4 355 B13R1.3088 COC(=O)C1=CC=C(OC)C(Cl)=C1 Z0559 [0,2,0,0,0,0|0,0,0]=2 356 B13R1.3088 COC(=O)C1=NC(Br)=C(OC)C=C1 8734AA [0,2,0,0,0,0|1,0,0]=3 357 B13R1.3088 COC1=C(Br)C=C(C(=O)CBr)C=C1 5466AJ [0,2,0,0,0,0|0,0,0]=2 358 B13R1.3088 COC1=C(I)C=C(C(=O)NN)C=C1 9985AD [0,2,0,0,0,0|1,0,0]=3 359 B13R1.3088 COC1=CC=C(C(=O)CCl)C=C1F V8083 [0,2,0,0,0,0|0,0,0]=2 360 B13R1.38 CNC1=C(N)C=C(S(C)(=O)=O)C=C1 1349AC [0,2,0,0,0,0|2,0,0]=4 361 B13R1.38 COC1=CC=C(S(C)(=O)=O)C=C1N 7119AD [0,2,0,0,0,0|1,0,0]=3 362 B13R1.96 COC1=CC(C)=C(S(=O)(=O)Cl)C=C1 2856AJ [0,2,0,0,0,0|2,0,0]=4 363 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 9003AC [0,2,0,0,0,0|2,0,0]=4 364 B13R1.338 CS(=O)(=O)C1=CC=C(C(N)=O)C=C1 V5993 [0,2,0,0,0,0|1,1,0]=4 365 B13R1.120 CC(=O)C1=CC=C([N+](=O)[O-])C=C1C X8381 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.120 CC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl W7819 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.120 CC(C)C1=CC=C(C(=O)O)C=C1I 6937AC [0,2,0,0,0,0|2,0,0]=4 368 B13R1.144 CCOC1=C(C)C=C(C(=O)O)C=C1 6155AJ [0,2,0,0,0,0|1,0,0]=3 369 B13R1.144 CCOC1=C(F)C=C(C(C)N)C=C1 7138AE [0,2,0,0,0,0|1,0,1]=4 370 B13R1.144 CCOC1=C(N)C=C(C(=O)O)C=C1 1284AF [0,2,0,0,0,0|1,0,0]=3 371 B13R1.144 CCOC1=CC=C(C(=O)O)C=C1Br X8045 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(N)=C1 8646AA [0,2,0,0,0,0|1,0,0]=3 373 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(O)=C1 4616AF [0,2,0,0,0,0|1,0,0]=3 374 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(N)=C1 V3783 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.652 COC1=C(C)C=C(C(=O)O)C(C)=C1 8593AB [0,2,0,0,0,0|1,0,0]=3 376 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(N)=C1 1520AJ [0,2,0,0,0,0|1,0,0]=3 377 B13R1.652 COC1=C(F)C=C([N+](=O)[O-])C(N)=C1 Z8860 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.652 COC1=CC(F)=C(C(=O)O)C=C1Br 6304AC [0,2,0,0,0,0|1,0,0]=3 379 B13R1.652 COC1=CC(N)=C([N+](=O)[O-])C=C1C 2934AL [0,2,0,0,0,0|2,0,0]=4 380 B13R1.3091 COC1=C(OC)C=C(C(C)O)C=C1 4922AJ [0,2,0,0,0,0|0,0,2]=4 381 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC V7667 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC 2087AJ [0,2,0,0,0,0|2,0,0]=4 383 B13R1.3091 COC1=CC=C(C(C)=O)N=C1OC 0878AD [0,2,0,0,0,0|1,0,0]=3 384 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 5687AE [0,2,0,0,0,0|1,0,0]=3 385 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Br 5597AC [0,2,0,0,0,0|0,0,0]=2 386 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Cl X5084 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.3380 COC1=C(Br)C=C(C(C)C)C=C1Br Z1090 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.3380 COC1=C(Br)C=C([N+](=O)[O-])C=C1Br V5065 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1Cl Z1009 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.3380 COC1=C(F)C=C([N+](=O)[O-])C=C1F X8276 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 1414AF [0,2,0,0,0,0|1,0,1]=4 392 B13R1.74 NCCOC1=CC=C(C(=O)O)C=C1 8121AC [0,2,0,0,0,0|1,0,0]=3 393 B13R1.74 NCCOC1=CC=C(C(N)=O)C=C1 5943AJ [0,2,0,0,0,0|1,0,0]=3 394 B13R1.74 NCCOC1=CC=C([N+](=O)[O-])C=C1 5232AJ [0,2,0,0,0,0|2,0,0]=4 395 B13R1.385 CCOC1=CC(Br)=C([N+](=O)[O-])C=C1 1603AJ [0,2,0,0,0,0|2,0,0]=4 396 B13R1.385 CCOC1=CC(O)=C(C(=O)O)C=C1 0982AA [0,2,0,0,0,0|1,0,0]=3 397 B13R1.99 COC1=CC=C(C(=N)N)C(OC)=C1 1385AJ [0,2,0,0,0,0|2,0,0]=4 398 B13R1.99 COC1=CC=C(C(=N)N)C(OC)=C1 Y7408 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.99 COC1=CC=C(C(=O)O)C(C#N)=C1 X8065 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 9616AH [0,2,0,0,0,0|2,0,0]=4 401 B13R1.428 COC1=CC(F)=C(C(C)=O)C(F)=C1 4528AC [0,2,0,0,0,0|0,0,0]=2 402 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 0245AC [0,2,0,0,0,0|2,0,0]=4 403 B11R2.190 C=CC1=CC=C2CCC2=C1 6995AC [1,0,0,1,0,0|1,0,1]=4 404 B11R2.190 O=CC1=CC=C2C=CC2=C1 L674 [1,0,0,1,0,0|1,0,1]=4 405 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 3573AJ [0,0,0,1,0,1|1,0,0]=3 406 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 6709AB [0,0,0,1,0,1|2,0,0]=4 407 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 4292AB [0,0,0,1,0,1|2,0,0]=4 408 B13R2.2121 COC1=CC2=C(C=N1)NC(C)=C2 Y7031 [0,0,0,1,0,1|2,0,0]=4 409 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 Y9405 [0,0,0,1,0,1|2,0,0]=4 410 B13R2.2121 COC1=CC2=NN(C)C=C2C=C1 Y9331 [0,0,0,1,0,1|2,0,0]=4 411 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 V6158 [0,0,0,1,0,1|1,0,0]=3 412 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 V7513 [0,1,0,1,0,0|1,0,1]=4 413 B13R2.2130 CCC1=CC2=C(C=C1)C(=O)CC2 V6047 [0,1,0,1,0,0|1,0,0]=3 414 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 1323AC [0,1,0,1,0,0|0,0,1]=3 415 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 7943AA [0,1,0,1,0,0|0,0,0]=2 416 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 W8405 [0,1,0,1,0,0|1,0,0]=3 417 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=C2 V4681 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.2130 COC1=CC=C2C(=C1)NN=C2Br 2296AA [0,1,0,1,0,0|2,0,0]=4 419 B13R2.2130 COC1=CC=C2C(=C1)NN=C2N 3036AL [0,1,0,1,0,0|2,0,0]=4 420 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)NC2 5067AA [0,1,0,1,0,0|2,0,0]=4 421 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 5665AC [0,1,0,1,0,0|2,0,0]=4 422 B13R2.430 CC(=O)C1=CC2=C(C=C1)NN=C2 Y5135 [0,1,0,1,0,0|1,0,1]=4 423 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 2614AC [0,1,0,1,0,0|1,0,1]=4 424 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 1241AD [0,1,0,1,0,0|1,0,1]=4 425 B13R2.430 C[C@@H](N)C1=CC2=C(C=C1)OCO2 8347AH [0,1,0,1,0,0|1,0,1]=4 426 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 8391AH [0,1,0,1,0,0|1,0,1]=4 427 B13R2.430 N=C(N)C1=CC2=C(C=C1)OCO2 9614AH [0,1,0,1,0,0|2,0,0]=4 428 B13R2.430 N=C(N)C1=CC=C2OCOC2=C1 6155AH [0,1,0,1,0,0|2,0,0]=4 429 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 Y9199 [0,1,0,1,0,0|1,0,0]=3 430 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 1358AJ [0,1,0,1,0,0|2,0,0]=4 431 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 V3422 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.430 O=C(O)C1=CC=C2CCOC2=C1 Z4578 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 1431AL [0,1,0,1,0,0|1,0,0]=3 434 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [1,0,0,0,1,0|2,0,0]=4 435 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [1,0,0,0,1,0|2,0,0]=4 436 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [1,0,0,0,1,0|2,0,0]=4 437 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [1,0,0,0,1,0|2,0,0]=4 438 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [1,0,0,0,1,0|2,0,0]=4 439 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [1,0,0,0,1,0|2,0,0]=4 440 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [1,0,0,0,1,0|2,0,0]=4 441 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 Y8599 [1,0,0,0,0,1|2,0,0]=4 442 B11R1.20 CC(=O)NC1=CC=C(O)C=N1 8000AA [1,0,0,0,0,1|1,0,0]=3 443 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [1,0,0,0,0,1|2,0,0]=4 444 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [1,0,0,0,0,1|1,0,0]=3 445 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 X5399 [1,0,0,0,0,1|1,0,0]=3 446 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [1,0,0,0,0,1|2,0,0]=4 447 B11R1.20 CC1=CC=C(N=C(N)N)C=C1 7745AB [1,0,0,0,0,1|2,0,0]=4 448 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [1,0,0,0,0,1|2,0,0]=4 449 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 6863AE [1,0,0,0,0,1|1,0,0]=3 450 B11R1.20 CC1=CC=C(\C=[N+](\C)[O-])C=C1 5147AD [1,0,0,0,0,1|1,0,1]=4 451 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 W8749 [1,0,0,0,0,1|2,0,0]=4 452 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 1746AL [1,0,0,0,0,1|2,0,0]=4 453 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [1,0,0,0,0,1|1,0,0]=3 454 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 6794AA [0,0,0,0,1,1|1,0,1]=4 455 B11R1.266 CC(=O)C1=CC=CC(CCl)=C1 W6202 [0,0,0,0,1,1|2,0,0]=4 456 B11R1.266 CCC1=CC(C(C)=O)=CC=C1 1395AB [0,0,0,0,1,1|1,0,0]=3 457 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 0646AE [0,0,0,0,1,1|2,0,0]=4 458 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 3929AC [0,0,0,0,1,1|2,0,0]=4 459 B11R1.266 COC1=CC([N+](=O)[O-])=CN=C1 5408AA [0,0,0,0,1,1|2,0,0]=4 460 B11R1.266 COC1=CC=CC([N+](=O)[O-])=C1 F824 [0,0,0,0,1,1|2,0,0]=4 461 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [0,0,0,0,1,1|0,0,0]=2 462 B11R1.266 COC1=NC=CC(C(N)=O)=C1 Z6815 [0,0,0,0,1,1|1,0,0]=3 463 B11R1.266 COC1=NC=CC(C(N)=S)=C1 3499AF [0,0,0,0,1,1|1,1,0]=4 464 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 W6524 [0,0,0,0,1,1|1,1,0]=4 465 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [0,0,0,0,0,2|2,0,0]=4 466 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [0,0,0,0,0,2|1,0,0]=3 467 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 4563AE [0,0,0,0,0,2|1,0,1]=4 468 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [0,0,0,0,0,2|1,0,0]=3 469 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [0,0,0,0,0,2|1,0,1]=4 470 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 4291AL [0,0,0,0,0,2|0,0,2]=4