0 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C10148 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.189 COC1=CN=CC(CCN)=C1 W10141 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.189 COC1=NC(CCN)=CC=C1 73037 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.189 COC1=NC=CC(CCN)=C1 W10138 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.189 N#CC1=CC(CNN)=CC=C1 D95131 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.189 N#CC1=CC=CC(CCO)=C1 72018 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.192 CC1=C(Br)C=CC(CC#N)=C1 AB8407 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.192 CC1=C(F)C=CC(CCO)=N1 P19192 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 A12131 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [1,0,0,0,0,0|0,0,2]=3 15 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 D79909 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.192 OCCC1=CC(F)=C(F)C=C1 CL9076 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 CCC1=C(Br)C=CC(OC)=C1 72075 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 CCC1=C(F)C=CC(CO)=C1 F31368 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.280 CNC1=CC(OC)=C(F)C=C1 D94417 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.280 CNC1=NC(CN)=CC=C1C 72583 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.280 COC1=C(Br)C=CC(CBr)=C1 F52556 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.280 COC1=C(Br)C=NC(CO)=C1 54903 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.280 COC1=C(C)C=CC(CN)=C1 78978 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.280 COC1=C(C)C=CC(CN)=C1 N12583 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 76075 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 76074 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 VT1204 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.280 COC1=C(Cl)C=CC(NN)=C1 AT23120 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.280 COC1=C(Cl)C=CC(NN)=C1 F17081 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.280 COC1=C(F)C=CC(NN)=C1 AB9353 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.280 COC1=C(N)C=CC(C=O)=C1 C90569 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.280 COC1=C(N)C=CC(CO)=C1 F20106 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.280 COC1=CC(CO)=C(O)C=C1 W16040 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.280 COC1=CC(OC)=C(N)N=C1 28153 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.280 COC1=CC(OC)=NC=C1N 28154 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.280 CSC1=CC(C=O)=C(O)C=C1 W18512 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 D76276 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 35524 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.49 COC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13219 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 Y11231 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 Y11232 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 O10461 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 C73777 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.387 NCCC1=CC(C(=O)O)=C(O)C=C1 64249 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.387 NCCC1=CC([N+](=O)[O-])=C(O)C=C1 I11254 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [0,1,0,0,0,0|1,0,2]=4 50 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 C11462 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 76348 [0,0,0,1,0,0|1,0,2]=4 52 B13R2.599 COC1=C(C)C=C2NC=CC2=C1 85912 [0,0,0,1,0,0|1,0,2]=4 53 B13R2.599 COC1=C(Cl)C=C2NC=CC2=C1 32065 [0,0,0,1,0,0|1,0,2]=4 54 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 P12871 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 32017 [0,0,0,1,0,0|1,0,2]=4 56 B13R2.599 COC1=C(N)C=C2NN=CC2=C1 P20618 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.599 COC1=C(O)C=C2NN=CC2=C1 P19275 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.172 C#CC1=CC=CC(CN)=C1 C75883 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.172 CNC1=CC(OC)=NC=C1 F13448 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.172 COC1=CN=CC(CN)=C1 38429 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.172 COC1=CN=CC(OC)=C1 24562 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.172 COC1=NC(CN)=CC=N1 P10949 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.172 COC1=NC(CN)=CC=N1 P16417 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.172 COC1=NC(CN)=NC=C1 P15840 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.172 COC1=NC=CC(CN)=C1 36533 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.172 N#CC1=CC(CN)=CC=C1 CL8992 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.1 COCC1=CC=C(O)C=C1 63646 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.176 CC1=C(Br)C=NC(CN)=C1 D79769 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.176 CC1=C(O)C=CC(C#N)=C1 O11240 [2,0,0,0,0,0|0,0,2]=4 94 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [2,0,0,0,0,0|0,0,0]=2 95 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.176 CN1C=C(CN)C=CC1=O P16593 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [2,0,0,0,0,0|0,0,0]=2 114 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 CC1=CC(C#N)=C(O)C=C1 90838 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.30 COC1=C(Cl)C=NC(N)=C1 A10702 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.30 COC1=C(I)C=NC(N)=C1 D76350 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.41 COC1=CC(CC#N)=CC(Br)=C1 98289 [1,1,0,0,0,0|0,0,2]=4 131 B12R1.41 COC1=CC(CCN)=CC(Br)=C1 88825 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.41 COC1=CC(N)=CC(CCO)=C1 C12282 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 75468 [1,1,0,0,0,0|0,0,2]=4 134 B12R1.270 COC1=CC(CCN)=C(Br)C=C1 W10180 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 C10727 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.270 COCC1=C(Br)C=CC(OC)=C1 N10202 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.382 CCNCC1=CC=CC(OC)=C1 78288 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.382 CNCCC1=CC=CC(OC)=C1 27068 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.382 COC1=CC=CC(OCCN)=C1 30446 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.382 N#CC1=CC=CC(OCCN)=C1 31476 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 I11000 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10279 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10692 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11031 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11911 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 Y12193 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11092 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11180 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N13158 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10659 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10687 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 Y10866 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.435 COC1=NC=CC([C@@H](N)CO)=C1 Y10904 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 D81282 [1,1,0,0,0,0|1,1,0]=4 156 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 58519 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 27058 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.288 COC1=C(O)C=C(CC#N)C=C1 51447 [1,1,0,0,0,0|0,0,2]=4 160 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12560 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12561 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13008 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13260 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13283 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13357 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13259 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13282 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [1,1,0,0,0,0|0,0,1]=3 170 B12R1.367 NC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 AR2885 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.367 NC[C@H](O)C1=CC(F)=C(F)C=C1 C77696 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 32542 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O 73849 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 Y11305 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.56 COC1=C(Br)C=CC([C@H](C)N)=C1 Y13407 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 N11045 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10259 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10260 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y11658 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 Y13466 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.78 COC1=C(OC)C=C(CO)N=C1 S10719 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.78 COC1=C(OC)C=C(NN)C=C1 77968 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 P12388 [1,1,0,0,0,0|0,0,2]=4 189 B12R1.300 COC1=CC(Br)=C(Cl)C(OC)=C1 AB10219 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 C76640 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 34705 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.300 COC1=CC(OC)=C(Br)C(C)=C1 W17918 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 21182 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.449 COC1=CC(OC)=C(F)C=C1F AC6835 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 F50793 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.453 NCC1=CC(C(=O)O)=C(O)C=C1 50734 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.654 COC1=C(O)C=CC(C=O)=C1O W17931 [1,1,0,0,0,0|1,0,1]=4 198 B14R1.626 CCCC(=O)C1=CC(OC)=C(O)C=C1 D94316 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.626 COC1=C(O)C=CC([C@@H](N)CCO)=C1 62475 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15458 [0,2,0,0,0,0|1,0,1]=4 201 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15459 [0,2,0,0,0,0|1,0,1]=4 202 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15460 [0,2,0,0,0,0|1,0,1]=4 203 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y10858 [0,2,0,0,0,0|1,0,0]=3 204 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y11027 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y11968 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y14155 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12058 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12059 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12280 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.1864 COC1=C(OC)C=C([C@@H](O)CN)C=C1 AR2900 [0,2,0,0,0,0|0,0,0]=2 211 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 D83473 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.3412 COC1=C(O)C=CC(OC(F)(F)F)=C1 C13882 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 60612 [0,2,0,0,0,0|1,0,0]=3 214 B14R1.793 COC1=C(OC)C=C(CCC#N)C=C1 P16956 [0,2,0,0,0,0|0,0,1]=3 215 B14R1.10285 COC1=CC=C(CCN)C(Cl)=C1OC F53462 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.14946 C=CCC1=CC(OC)=C(OC)C=C1O C75801 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 A12303 [0,2,0,0,0,0|1,0,1]=4 218 B12R2.43 CNC1=CC(C2CC2)=CC=C1 D81625 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.44 COC1=CC2=C(C=C1)CCN2 Y10745 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.44 COC1=CC2=C(C=C1)CNC2 64065 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.44 COC1=CN=C2NCCC2=C1 P20217 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.44 COC1=NC=C2NCCC2=C1 O11462 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 29812 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.44 NCC1=CC2=C(C=C1)NCC2 W19193 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.315 COC1=C2CNCC2=CC=C1 36595 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.315 COC1=C2CNCC2=CC=C1 Y13501 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.315 N#CC1=C2NCCC2=CC=C1 59518 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.82 CC1=CC=C2CCNC2=C1N P20142 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.100 CC1=C(O)C=C2NN=CC2=C1 P11004 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.100 FC1=C(Br)C=C2CCNC2=C1 C72478 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.100 FC1=C(F)C=C2NCCC2=C1 35989 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.100 OC1=C(Br)C=C2CCCC2=C1 C74651 [1,0,0,1,0,0|2,0,0]=4 233 B14R2.2167 COC1=CC2=C(C=C1O)CCC2=O 72193 [0,1,0,1,0,0|1,0,1]=4 234 B14R2.1008 C[C@H](N)CC1=CC2=C(C=C1)OC=C2 F18238 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.1197 COC1=C(C)C=C2C[C@H](N)CC2=C1 D94484 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 71562 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.82 COC1=C(OC)C=C2CNCC2=C1 84337 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 F11824 [0,1,0,1,0,0|0,0,0]=2 239 B14R2.1238 COC1=C(OC)C2=C(C=CN2)C=C1 D86118 [0,1,0,1,0,0|0,0,2]=4 240 B14R2.991 CNNCC1=CC2=C(C=C1)OCO2 30196 [0,1,0,1,0,0|1,0,0]=3 241 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 C12804 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 F20174 [0,1,0,1,0,0|0,0,0]=2 243 B14R2.1128 COC1=C(Br)C=C2OCCCC2=C1 Y13358 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.1128 COC1=C(C)C=C2CCCCC2=C1 Y13178 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.1416 COC1=C(Br)C=C2C(=O)CCC2=C1 F52781 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 Y10478 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 71771 [0,1,0,1,0,0|1,0,0]=3 248 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 C73786 [0,0,0,2,0,0|2,0,0]=4 249 B14R3.3022 C1=C2CCOC2=CC3=C1OCC3 C76624 [0,0,0,2,0,0|2,0,0]=4 250 B14R3.3022 C1=C2CNCC2=CC3=C1OCO3 50635 [0,0,0,2,0,0|2,0,0]=4 251 B14R3.3022 C1=CC2=CC3=C(C=C2N1)OCO3 I10192 [0,0,0,2,0,0|0,0,2]=4