0 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,0,0,0,0,0|1,1,0]=2 9 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,0,0,0,0,0|0,0,0]=1 17 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [1,0,0,0,0,0|1,1,0]=3 22 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [1,0,0,0,0,0|1,1,0]=3 45 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,0,0,0,0,0|0,0,0]=1 52 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.83 CSC1=CC=C(CC#N)C=C1 10715 [1,0,0,0,0,0|1,1,1]=4 56 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,0,0,0,0,0|0,0,1]=2 57 B13R1.4 COc1ccc(C[B-](F)(F)F)cc1 11556 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 34857 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 31476 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31843 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31845 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.5 COC(=O)Cc1ccc(C#N)cc1 19607 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 12491 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 4198 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 24859 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 4170 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 25482 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 3998 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.36 CC(C(=O)O)C1=CC=C(CBr)C=C1 26052 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 15953 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 16007 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 35817 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.142 COCC1=CC=C(CC(=O)O)C=C1 31842 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 3116 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 18646 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 6131 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 23823 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 12559 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.585 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1 31967 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.585 CC(=O)OC1=CC=C(B(O)O)C=C1 20170 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 13099 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 36113 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.585 NC(=O)CC1=CC=C(C(=O)O)C=C1 17544 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 29640 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.585 O=C(O)CC1=CC=C(C(=O)O)C=C1 20045 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 19749 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 3983 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.653 COC1=CC(Br)=C(OC(C)=O)C=C1 5303 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 10958 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 4172 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 17252 [0,0,0,1,0,0|2,1,0]=4 92 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 7665 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 17253 [0,0,0,1,0,0|2,1,0]=4 94 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 14480 [0,0,0,1,0,0|2,1,0]=4 95 B13R2.2121 COC1=CC2=C(C=C1)N=C(S)N2 7611 [0,0,0,1,0,0|2,1,0]=4 96 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 21830 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 25985 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)C2 17715 [0,0,0,1,0,0|1,0,0]=2 99 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 19102 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.2121 COC1=CC=C2C=C(C)NC2=C1 19946 [0,0,0,1,0,0|1,0,1]=3 101 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 18091 [0,0,0,1,0,0|0,0,0]=1 102 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 8303 [0,0,0,1,0,0|1,0,0]=2 103 B13R2.2121 COC1=CC=C2CC(N)CC2=C1 36162 [0,0,0,1,0,0|1,0,1]=3 104 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 8313 [0,0,0,1,0,0|1,0,0]=2 105 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 7236 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.2121 CSC1=CC2=C(C=C1)SC(C)=N2 25154 [0,0,0,1,0,0|2,1,0]=4 107 B13R2.2121 N#CC1=CC=C2CC(=O)NC2=C1 8932 [0,0,0,1,0,0|3,0,0]=4 108 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,0,0,0,1,0|2,0,1]=4 109 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,0,0,0,1,0|1,0,0]=2 110 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,0,0,0,1,0|2,0,1]=4 111 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,0,0,0,1,0|2,0,0]=3 112 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,0,0,0,1,0|2,0,0]=3 115 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,0,0,0,1,0|2,0,0]=3 116 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,0,0,0,1,0|3,0,0]=4 118 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,0,0,0,1,0|2,0,1]=4 122 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,0,0,0,1,0|1,0,0]=2 124 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,0,0,0,1,0|0,0,0]=1 125 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,0,0,0,1,0|1,1,0]=3 126 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,0,0,0,1,0|1,0,0]=2 131 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,0,0,0,1,0|1,0,1]=3 133 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,0,0,0,1,0|1,0,1]=3 134 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,0,0,0,1,0|0,1,0]=2 135 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,0,0,0,1,0|2,1,0]=4 136 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,0,0,0,1,0|3,0,0]=4 142 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,0,0,0,1,0|3,0,0]=4 143 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,0,0,0,1,0|3,0,0]=4 146 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [0,0,0,0,0,1|1,0,0]=2 147 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 25637 [0,0,0,0,0,1|1,0,1]=3 148 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 35169 [0,0,0,0,0,1|1,0,1]=3 149 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 8248 [0,0,0,0,0,1|1,0,1]=3 150 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 19218 [0,0,0,0,0,1|1,1,0]=3 151 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 18108 [0,0,0,0,0,1|3,0,0]=4 152 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 19213 [0,0,0,0,0,1|3,0,0]=4 153 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 11987 [0,0,0,0,0,1|3,0,0]=4 154 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 27618 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [2,0,0,0,0,0|0,0,2]=4 166 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [2,0,0,0,0,0|1,0,0]=3 168 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [2,0,0,0,0,0|0,0,2]=4 170 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [2,0,0,0,0,0|0,0,0]=2 181 B10R1.3 CCc1ccc(CCl)cc1 36258 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [2,0,0,0,0,0|0,0,0]=2 185 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.3 COC1=CC=C(CN)C=C1 4428 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.3 COC1=CC=C(CN)C=N1 33703 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.3 COC1=CC=C(CO)C=C1 19100 [2,0,0,0,0,0|0,0,1]=3 191 B10R1.3 COC1=CC=C(CS)C=C1 6839 [2,0,0,0,0,0|0,1,0]=3 192 B10R1.3 COC1=CC=C(NN)C=C1 4498 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.3 COC1=CC=C(SC)C=C1 10655 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.3 COC1=CN=C(CO)C=C1 34570 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [2,0,0,0,0,0|0,1,0]=3 198 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [2,0,0,0,0,0|1,1,0]=4 199 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [2,0,0,0,0,0|1,1,0]=4 200 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [2,0,0,0,0,0|0,1,1]=4 201 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [2,0,0,0,0,0|2,0,0]=4 205 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.49 COC(=O)CC1=CCN(C)C=C1 13711 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 8401 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 5631 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 14886 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 31490 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 4174 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 28844 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 31433 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 15026 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 2710 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 13742 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 4292 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 4093 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 4194 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 31469 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 15519 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [1,1,0,0,0,0|0,0,1]=3 263 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [1,1,0,0,0,0|0,1,1]=4 265 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [1,1,0,0,0,0|0,0,1]=3 266 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [1,1,0,0,0,0|0,0,0]=2 267 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.71 COC1=CC=C(COCCl)C=C1 24122 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 31426 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 11235 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 3178 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.116 COCC1=CC=C(COC)C=C1 9024 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,1,0,0,1,0|0,0,2]=4 279 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,1,0,0,1,0|1,0,0]=3 280 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 27549 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,1,0,0,1,0|0,0,0]=2 284 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,1,0,0,1,0|0,0,0]=2 287 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,1,0,0,1,0|0,0,2]=4 288 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,1,0,0,1,0|1,0,0]=3 290 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,1,0,0,1,0|1,0,0]=3 291 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,1,0,0,1,0|0,0,0]=2 292 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,1,0,0,1,0|1,0,0]=3 294 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,1,0,0,1,0|1,0,0]=3 301 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,1,0,0,1,0|2,0,0]=4 303 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,1,0,0,1,0|1,0,0]=3 304 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,1,0,0,1,0|1,0,0]=3 305 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,1,0,0,1,0|1,1,0]=4 307 B12R1.452 CC(=O)C1=C(O)C=C(C#N)C=C1 29274 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,1,0,0,1,0|1,0,0]=3 315 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,1,0,0,1,0|0,0,0]=2 317 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,1,0,0,1,0|1,0,0]=3 320 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,1,0,0,1,0|0,0,0]=2 321 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,1,0,0,1,0|0,0,0]=2 324 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [0,1,0,0,1,0|2,0,0]=4 327 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 13902 [0,1,0,0,0,1|1,0,0]=3 328 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 24028 [0,1,0,0,0,1|1,0,0]=3 329 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 30247 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 17346 [0,1,0,0,0,1|1,0,0]=3 331 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 18019 [0,1,0,0,0,1|1,0,0]=3 332 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 23307 [0,1,0,0,0,1|1,0,0]=3 333 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 13163 [0,1,0,0,0,1|1,0,0]=3 334 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 4349 [0,1,0,0,0,1|1,0,1]=4 335 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 8239 [0,1,0,0,0,1|1,0,1]=4 336 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 14580 [0,1,0,0,0,1|2,0,0]=4 337 B14R1.3653 COC1=C(F)C=C(\C=C\C(=O)O)C=C1 22612 [0,1,0,0,0,1|1,0,1]=4 338 B14R1.3653 COC1=C(O)C=C(CC[N+](=O)[O-])C=C1 19593 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 8187 [0,1,0,0,0,1|1,0,1]=4 340 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1Br 31619 [0,1,0,0,0,1|1,0,1]=4 341 B14R1.7 COC(=O)C(Br)C1=CC=C(OC)C=C1 34351 [0,2,0,0,0,0|0,0,0]=2 342 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 31854 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 31855 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.954 CCOC(=O)CC1=CC=C(SC)C=C1 15278 [0,2,0,0,0,0|0,1,0]=3 345 B14R1.2879 COC(=O)CC1=CC=C(B(O)O)C=C1 32704 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.3714 COC(=O)CC1=C(Cl)C=C(OC)C=C1 10960 [0,2,0,0,0,0|0,0,0]=2 347 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,2,0,0,0,0|0,0,0]=2 349 B14R1.3651 COC1=C(OC)C=C(CC(C)N)C=C1 16299 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 15584 [0,2,0,0,0,0|0,0,2]=4 351 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 23471 [0,2,0,0,0,0|0,0,2]=4 352 B14R1.5801 CC(=O)NC1=CC(C)=C(C(C)=O)C=C1 12562 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.68 CSCCC1=CC=C(CC(=O)O)C=C1 10720 [0,2,0,0,0,0|1,1,0]=4 354 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 27266 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.717 COC(=O)C1=CC=C(OC(=O)Cl)C=C1 28973 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.805 CC(=O)OC1=CC=C(OC(C)=O)C=C1 3051 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.805 CC(C)CC1=CC=C(CC(=O)O)C=C1 31439 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.805 O=C(O)CC1=CC=C(OC(F)F)C=C1 31489 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.806 CC(=O)CC1=CC=C(C(F)(F)F)C=C1 31607 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.560 COC1=CC(F)=C(CC(=O)O)C(F)=C1 24120 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 29251 [0,0,1,1,0,0|1,0,1]=4 362 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 13248 [0,0,1,1,0,0|1,0,1]=4 363 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 21826 [1,0,0,1,0,0|1,1,0]=4 365 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [1,0,0,1,0,0|2,0,0]=4 367 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [1,0,0,1,0,0|2,0,0]=4 368 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [1,0,0,1,0,0|1,0,1]=4 369 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [1,0,0,1,0,0|1,0,0]=3 370 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [1,0,0,1,0,0|1,0,1]=4 372 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 17329 [1,0,0,1,0,0|1,1,0]=4 373 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [1,0,0,1,0,0|1,0,0]=3 379 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [1,0,0,1,0,0|1,0,0]=3 380 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [1,0,0,1,0,0|2,0,0]=4 381 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [1,0,0,1,0,0|1,0,0]=3 382 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [1,0,0,1,0,0|1,0,0]=3 384 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [1,0,0,1,0,0|2,0,0]=4 385 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [1,0,0,1,0,0|1,0,0]=3 386 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.44 COC1=CC2=C(C=C1)N=CN2 7662 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [1,0,0,1,0,0|0,0,2]=4 389 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [1,0,0,1,0,0|0,1,1]=4 390 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [1,0,0,1,0,0|1,0,1]=4 391 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [1,0,0,1,0,0|1,0,1]=4 392 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [1,0,0,1,0,0|1,0,1]=4 393 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [1,0,0,1,0,0|1,0,0]=3 394 B12R2.44 COC1=CC=C2CNCC2=N1 23499 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.44 COC1=CC=C2NC=CC2=C1 7432 [1,0,0,1,0,0|1,0,1]=4 396 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [1,0,0,1,0,0|1,0,1]=4 397 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 18169 [0,0,0,1,0,1|0,0,0]=2 398 B14R2.134 COC1=CC=C2CC[C@H](N)CC2=C1 32029 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 33816 [0,0,0,1,0,1|0,0,0]=2 400 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 13703 [0,1,0,1,0,0|0,0,0]=2 401 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 18378 [0,1,0,1,0,0|0,0,0]=2 402 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 5910 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.2332 COc1ccc2c(c1)CC[C@H](N)C2 23247 [0,1,0,1,0,0|1,0,1]=4 404 B14R2.2332 N#CC1=CC2=C(C=C1)CC(=O)CC2 34511 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 8000 [0,1,0,1,0,0|1,0,1]=4 406 B14R2.3304 COC1=CC2=C(C=C1)NC(CN)=N2 6378 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.3304 COC1=CC2=NC(=C=O)C=C2C=C1 13944 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 15588 [0,1,0,1,0,0|0,0,2]=4 409 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 9983 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,1,0,1,0,0|1,0,0]=3 412 B14R2.3302 COC1=CC=C2NC(C)=CC2=C1F 17725 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.601 CC(=O)C1=CC=C2NC(=O)CC2=C1 7308 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.601 O=C1CC2=CC=C([N+](=O)[O-])C=C2C1 18090 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,0,0,0,1,0|1,0,0]=3 416 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,0,0,0,1,0|1,0,0]=3 417 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,0,0,0,1,0|0,0,0]=2 418 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,0,0,0,1,0|1,0,0]=3 419 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,0,0,0,1,0|1,0,0]=3 420 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,0,0,0,1,0|1,0,0]=3 421 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,0,0,0,1,0|1,0,0]=3 422 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,0,0,0,1,0|0,0,0]=2 423 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,0,0,0,1,0|1,0,0]=3 425 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,0,0,0,1,0|1,0,0]=3 427 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,0,0,0,1,0|1,0,0]=3 429 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,0,0,0,1,0|1,0,0]=3 431 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,0,0,0,1,0|1,0,0]=3 432 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,0,0,0,1,0|1,0,0]=3 433 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,0,0,0,1,0|1,0,1]=4 434 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,0,0,0,1,0|2,0,0]=4 435 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,0,0,0,1,0|2,0,0]=4 436 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,0,0,0,1,0|2,0,0]=4 437 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,0,0,0,1,0|0,0,2]=4 438 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,0,0,0,1,0|2,0,0]=4 441 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,0,0,0,1,0|1,0,1]=4 442 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,0,0,0,1,0|1,0,1]=4 443 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,0,0,0,1,0|2,0,0]=4 444 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,0,0,0,1,0|2,0,0]=4 445 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,0,0,0,1,0|2,0,0]=4 446 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,0,0,0,1,0|2,0,0]=4 447 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,0,0,0,1,0|2,0,0]=4 448 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,0,0,0,1,0|1,1,0]=4 451 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,0,0,0,1,0|2,0,0]=4 452 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [1,0,0,0,1,0|2,0,0]=4 453 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [1,0,0,0,1,0|2,0,0]=4 454 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [1,0,0,0,1,0|2,0,0]=4 455 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [1,0,0,0,1,0|2,0,0]=4 456 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,0,0,0,1,0|2,0,0]=4 457 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,0,0,0,1,0|2,0,0]=4 458 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,0,0,0,1,0|2,0,0]=4 459 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,0,0,0,1,0|2,0,0]=4 460 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,0,0,0,1,0|1,0,0]=3 461 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,0,0,0,1,0|1,1,0]=4 462 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [1,0,0,0,1,0|2,0,0]=4 463 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [1,0,0,0,1,0|2,0,0]=4 464 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,0,0,0,1,0|2,0,0]=4 465 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [1,0,0,0,0,1|0,0,0]=2 466 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [1,0,0,0,0,1|1,0,1]=4 467 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [1,0,0,0,0,1|2,0,0]=4 468 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [1,0,0,0,0,1|1,0,0]=3 469 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [1,0,0,0,0,1|2,0,0]=4 470 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [1,0,0,0,0,1|2,0,0]=4 471 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [1,0,0,0,0,1|2,0,0]=4 472 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [1,0,0,0,0,1|2,0,0]=4 473 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [1,0,0,0,0,1|1,0,1]=4 474 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [1,0,0,0,0,1|1,0,1]=4 475 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [0,0,0,0,1,1|1,0,0]=3 476 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [0,0,0,0,1,1|0,0,0]=2 477 B12R1.438 COC1=CC=CC(CC(O)=S)=C1 21122 [0,0,0,0,1,1|1,0,1]=4 478 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [0,0,0,0,1,1|1,0,0]=3 479 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [0,0,0,0,1,1|1,0,0]=3 480 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 10658 [0,0,0,0,1,1|1,1,0]=4 481 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 15207 [0,0,0,0,0,2|1,0,0]=3 482 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 29039 [0,0,0,0,0,2|1,0,0]=3 483 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 19220 [0,0,0,0,0,2|1,0,0]=3 484 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 19236 [0,0,0,0,0,2|1,1,0]=4