0 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SY003969 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [0,0,0,0,0,0|3,1,0]=4 3 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [0,0,0,0,0,0|3,1,0]=4 5 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [0,0,0,0,0,0|3,1,0]=4 6 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.125 O=[N+]([O-])CCC1=CC=CC=C1Cl SY266525 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [1,0,0,0,0,0|0,1,0]=2 12 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 SY005438 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [1,0,0,0,0,0|2,1,0]=4 14 B11R1.17 NCCOC1=C(Cl)C=CC=C1 SY008278 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [1,0,0,0,0,0|2,1,0]=4 16 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 CC(C)NCC1=CC=CN=C1 SY028833 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 CC(C)NCC1=CC=NC=C1 SY028832 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.157 CC(C)(C)OCC1=CC=CC=C1Br SY250806 [0,1,0,0,0,0|2,1,0]=4 24 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl SY014686 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O SY030197 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O SY035311 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O SY035312 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.528 COC(=O)CCC1=CC=CC=C1Br SY017608 [0,1,0,0,0,0|2,1,0]=4 29 B13R2.33 O=C1CCC2=CC=CC=C2CC1 SY036148 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 SY033757 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.216 OC1CC(C2=CC=CC=C2Cl)C1 SY033758 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 SY205781 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.3571 FC1(F)CC1C2=CC=CC=C2Cl SY295828 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 SY011510 [0,0,0,0,1,0|2,1,0]=4 35 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 SY037165 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.86 CC(=O)NC1=CC=CC=C1Cl SY048591 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.86 CC(C)NC1=CC=CC=C1S SY232861 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.86 CC(C)OC1=CC=CC=C1N SY006071 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.86 CC(C)SC1=CC=CC=C1N SY123012 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [0,0,0,0,1,0|3,0,0]=4 44 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl SY008355 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.4 CC1=CC=CC=C1CCO SY036944 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [2,0,0,0,0,0|1,1,0]=4 47 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [2,0,0,0,0,0|0,1,0]=3 48 B10R1.4 CNCC1=CC=CC=C1C SY021461 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.4 CNCC1=CC=CC=C1F SY005451 [2,0,0,0,0,0|0,1,0]=3 51 B10R1.4 CNCC1=CC=CN=C1C SY031590 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.4 COCC1=CC=CC=C1O SY026429 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.4 NCCC1=CC=CC=C1N SY104426 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.4 NCCC1=CC=CC=C1O SY040467 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.4 NNCC1=CC=CC=C1F SY033589 [2,0,0,0,0,0|1,1,0]=4 61 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [2,0,0,0,0,0|1,1,0]=4 62 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [2,0,0,0,0,0|1,1,0]=4 63 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.4 NOCC1=CC=CC=C1F SY047853 [2,0,0,0,0,0|1,1,0]=4 65 B10R1.4 NOCC1=CC=CC=C1F SY281571 [2,0,0,0,0,0|1,1,0]=4 66 B10R1.4 NOCC1=CC=CC=C1I SY281752 [2,0,0,0,0,0|1,1,0]=4 67 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [2,0,0,0,0,0|1,1,0]=4 68 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.4 OCCC1=CC=CC=C1F SY021828 [2,0,0,0,0,0|1,1,0]=4 70 B10R1.4 OCCC1=CC=CC=C1I SY096684 [2,0,0,0,0,0|1,1,0]=4 71 B10R1.4 OCCC1=CC=CC=C1O SY066615 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [2,0,0,0,0,0|0,0,0]=2 77 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.69 CCNCC1=CC=C(Cl)C=C1Cl SY002524 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.267 CCNCCC1=CC=CC=C1F SY002938 [1,1,0,0,0,0|0,1,0]=3 86 B12R1.267 NCCCOC1=CC=CC=C1Cl SY008300 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 SY003700 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 SY014559 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 SY014558 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 SY014557 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.124 CN(C)C(=O)C1=CC=CC=C1S SY253093 [0,1,0,0,1,0|1,0,1]=4 98 B12R1.151 CC(C)(O)CC1=CC=CC=C1Cl SY035186 [0,1,0,0,1,0|1,0,0]=3 99 B14R1.96 CN(C)CCOC1=C(C#N)C=CC=C1 SY011923 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.96 CN(C)CCOC1=C(CN)C=CC=C1 SY005463 [0,1,0,0,0,1|1,0,0]=3 101 B14R1.4464 CN(C)CCNC1=CC=C(N)C=C1F SY253923 [0,1,0,0,0,1|0,1,0]=3 102 B14R1.4464 CN(C)CCOC1=CC=C(Br)C=C1F SY270875 [0,1,0,0,0,1|0,1,0]=3 103 B14R1.4451 CS(=O)(=O)CC(O)C1=CC=CC=C1Cl SY034265 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 SY004008 [0,0,1,1,0,0|2,0,0]=4 105 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.41 C1=CC=C2NCCCCC2=C1 SY012221 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.196 CN1CCC2=C1C=CC=C2N SY142604 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.196 O=C1CCC2=C1C=CC=C2Cl SY041548 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.225 BrC1=CC=CC=C1CC2CC2 SY278417 [1,0,0,1,0,0|1,1,0]=4 110 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267567 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267568 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267603 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267604 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267558 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267559 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267201 [1,0,0,1,0,0|0,1,0]=3 119 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267202 [1,0,0,1,0,0|0,1,0]=3 120 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY021156 [1,0,0,1,0,0|0,1,0]=3 121 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY041598 [1,0,0,1,0,0|0,1,0]=3 122 B12R2.1081 ClC1=C2CCNCC2=NC=N1 SY037516 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.1081 ClC1=CC=CC2=C1CNCC2 SY041616 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.1081 ClC1=CC=CC2=C1NCCC2 SY183818 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY116736 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.1081 O=C1NC=CC2=C1CCNC2 SY274503 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.1081 OC1=C2CCCCC2=CC=C1 SY049625 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 SY023290 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [1,0,0,1,0,0|2,0,0]=4 132 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 SY005107 [0,1,0,1,0,0|1,0,1]=4 133 B14R2.4493 CC1(C)CCC2=C(C=CC(Br)=C2)N1 SY222405 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,0,0,0,1,0|1,0,1]=4 135 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.66 CN(C)CCC1=NC=CN1 SY262766 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.66 CN(C)CCN1C=CC=N1 SY263617 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.61 CC(C)C1=C(N)C=CC=C1 SY006015 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.61 CC(C)C1=CC=CC=C1Br SY026917 [0,0,0,0,2,0|1,1,0]=4 141 B10R1.61 CC(C)C1=CC=CC=C1I SY048195 [0,0,0,0,2,0|1,1,0]=4 142 B10R1.61 CC(N)C1=CC=CC=C1Cl SY002632 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.61 CN(C)C1=CC=CC=C1Br SY024924 [0,0,0,0,2,0|0,1,0]=3 145 B10R1.61 CN(C)C1=CC=CC=C1N SY032003 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [0,0,0,0,2,0|2,0,0]=4 147 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [0,0,0,0,2,0|2,0,0]=4