0 B12R1.16 BrC1=CC=C(C(=O)OCC)C=C1 ACS010560 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.16 BrC1=CC=C(C=C1)C(CC#N)=O ACS013813 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.16 BrC1=CC=C(C=C1)C(CCCl)=O ACS014603 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.16 C(C)OC(=O)C=1C=NC(=NC1)N ACS012029 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.16 CCOC(=O)c1ccc(cc1)N ACS023744 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.16 ClC1=CC=C(C(=O)OCC)C=C1 ACS012717 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.16 ClC1=CC=C(C=C1)C(CC#N)=O ACS013816 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.16 ClCCC(=O)C1=CC=C(C=C1)Cl ACS015871 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.16 ClCCC(=O)C1=CC=C(C=C1)F ACF014607 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.16 FC1=CC=C(C(=O)CC#N)C=C1 ACF011477 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.16 FC1=CC=C(C(=O)OCC)C=C1 ACF012727 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.16 NC=1N=CC(=NC1)C(=O)OCC ACS023777 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.16 OC1=CC=C(C(=O)OCC)C=C1 ACS012732 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.1 NC1=CC=C(CCNC)C=C1 ACS014035 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 C(C1=CC=CC=C1)(=O)N=C=S ACS014136 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 C(C1=CC=CC=C1)(=O)OCC ACS012711 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.16 C(C1=CN=CC=C1)(=O)OCC ACS011462 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.16 ClCCC(=O)C1=CC=CC=C1 ACS014605 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.16 N1=CC(=CC=C1)C(CCC)=O ACS020723 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.16 N1=CC=C(C=C1)C(=O)OCC ACS015215 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.22 BrC1=CC=C(C(=O)OC)C=C1 ACS010562 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.22 BrC1=NC=C(C=N1)C(=O)OC ACS019638 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.22 BrCC(=O)C1=CC=C(C=C1)Cl ACS015796 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 BrCC(=O)C1=CC=C(C=C1)F ACF012532 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.22 C(C)(CC)C1=CC=C(N)C=C1 ACS016009 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.22 CC1=CC=C(C(=O)OC)C=C1 ACS012872 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.22 COC(=O)C1=NC=C(C=C1)Br ACS011367 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.22 COC(C1=CN=C(C=C1)N)=O ACS010336 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.22 ClC1=CC=C(C(=O)NN)C=C1 ACS010514 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.22 ClC1=CC=C(C=C1)C(C=O)=O ACS024471 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.22 ClC1=NC=C(C=N1)C(=O)OC ACS011266 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.22 ClCC(=O)C1=CC=C(C=C1)F ACF014518 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.22 FC1=CC=C(C(=O)NN)C=C1 ACF014065 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.22 FC1=CC=C(C(=O)OC)C=C1 ACF012848 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.22 FC1=CC=C(C=C1)C(C=O)=O ACF014315 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.22 FC=1C=CC(=NC1)C(=O)OC ACF021752 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.22 FC=1C=NC(=NC1)C(=O)OC ACF022334 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.22 IC1=CC=C(C(=O)NN)C=C1 ACS014066 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.22 NC1=CC=C(C(=O)OC)C=C1 ACS012750 [1,0,0,0,0,0|0,0,0]=1 39 B11R1.22 NC1=CC=C(C=C1)C(CBr)=O ACS015783 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.22 O=C1NC=C(C=N1)C(=O)OC ACS020649 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.22 OC1=CC=C(C(=O)OC)C=C1 ACS012858 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.22 c1cc(ccc1C(=O)CCl)Br ACS015797 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.17 ClCCCC(=O)C1=CC=C(C=C1)F ACF012119 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.21 BrC1=CC=C(C(=O)N(C)OC)C=C1 ACS014070 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.21 FC1=CC=C(C(=O)N(C)OC)C=C1 ACF014077 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.466 BrC1=C(C=C(C(=O)OCC)C=C1)O ACS020080 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.466 ClC=1C=C(C(=O)OCC)C=CC1C ACS016617 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.466 ClC=1C=C(C(=O)OCC)C=CC1F ACF012718 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.466 FC1=CC(=CNC1=O)C(=O)OCC ACF021849 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.466 NC1=NC=C(C(=O)OCC)C=C1Br ACS020352 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.466 NC=1C=C(C(=O)OCC)C=CC1C ACS012709 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.466 NC=1C=C(C(=O)OCC)C=CC1N ACS012722 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.1511 BrC1=CC(=C(C(=O)OCC)C=C1)F ACF016433 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.1511 C(C)OC(C1=C(C=C(C=C1)C)F)=O ACF016540 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.1511 ClC1=NC(=C(C(=O)OCC)C=C1)C ACS020408 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.1511 ClC1=NC=C(C(=N1)Cl)C(=O)OCC ACS012089 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.1511 FC1=C(C(=O)OCC)C=CC(=C1)F ACF012723 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.1511 FC=1C(=NC=C(C1)F)C(=O)OCC ACF021535 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.520 C1(CC1)C(=O)C2=CC=C(C=C2)O ACS017172 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.5179 BrC=1C=C2CCCC(C2=CC1)=O ACS017551 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.5179 NC=1C=C2CCCC(C2=CC1)=O ACS017502 [0,0,0,1,0,0|1,0,0]=2 62 B13R2.5179 OC=1C=C2CCCC(C2=CC1)=O ACS015476 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.5187 ClC=1C=C2C(C(=O)OC2=O)=CC1 ACS011494 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.5187 FC=1C=C2C(C(=O)OC2=O)=CC1 ACF010248 [0,0,0,1,0,0|2,0,1]=4 65 B11R1.15 BrC1=CC=C(N1)C(=O)OCC ACS017232 [0,0,0,0,1,0|2,0,0]=3 66 B11R1.15 C(C)OC(=O)C1=CN=C(S1)Br ACS011570 [0,0,0,0,1,0|3,0,0]=4 67 B11R1.15 CC1=NOC(=C1)C(=O)OCC ACS015348 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.15 CC=1C=C(NC1)C(=O)OCC ACS015350 [0,0,0,0,1,0|2,0,0]=3 69 B11R1.15 ClC=1OC=C(N1)C(=O)OCC ACS019178 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.15 NC1=CC(=NN1)C(=O)OCC ACS023775 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.15 NC=1OC=C(N1)C(=O)OCC ACS019177 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.15 NC=1SC(=CN1)C(=O)OCC ACS011542 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.15 NC=1SC=C(N1)C(=O)OCC ACS011285 [0,0,0,0,1,0|2,0,0]=3 74 B13R1.19 BrC1=CC=C(C=C1)CC(=O)OCC ACS012715 [0,0,0,0,0,1|1,0,0]=2 75 B13R1.19 CC1=CC=C(C=C1)CC(=O)OCC ACS012735 [0,0,0,0,0,1|1,0,0]=2 76 B10R1.1 BrC=1C=CC(=NC1)OCC ACS010900 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.1 C(C)OC1=CC=C(N)C=C1 ACS015985 [2,0,0,0,0,0|0,0,0]=2 78 B10R1.1 C(CC)C1=CC=C(N)C=C1 ACS016018 [2,0,0,0,0,0|0,0,1]=3 79 B10R1.1 CCCc1ccc(cc1)Br ACS015037 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.1 NC1=CC=C(C=C1)CCO ACS013740 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.1 NC1=CC=C(CCN)C=C1 ACS014034 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.17 C(C=CC1=CC=CC=C1)Cl ACS015577 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.15 BrCC(=O)C1=CC=CC=C1 ACS014488 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.15 C(C)(CC)C1=CC=CC=C1 ACS016273 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.15 C(C)[C@@H](C1=CC=CC=C1)N ACS010872 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.15 C(C1=CC=CC=C1)(=O)OC ACS012777 [2,0,0,0,0,0|0,0,0]=2 87 B10R1.15 ClCC(=O)C1=CC=CC=C1 ACS010471 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.15 FCC(=O)C1=CC=CC=C1 ACF015840 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.15 ICC(=O)C1=CC=CC=C1 ACS015855 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.15 NCC(=O)C1=CC=CC=C1 ACS023930 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.13 BrC1=CC=C(C(=O)O)C=C1 ACS010527 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.13 BrC1=CC=C(C(=O)[O-])C=C1 ACS013276 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.13 BrC1=CC=C(C=C1)C(C)=O ACS014490 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.13 BrC1=NC=C(C(=O)O)C=C1 ACS010025 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.13 BrC=1C=CC(=NC1)C(=O)O ACS011212 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.13 BrC=1C=CC(=NC1)C(C)=O ACS023983 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.13 C=C(C)C1=CC=C(C=C1)O ACS017253 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.13 CC(=O)c1ccc(cc1)I ACS015856 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 ACS013413 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.13 CC1=CC=C(C(=O)N)C=C1 ACS017117 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.13 CC1=CC=C(C(=O)O)C=C1 ACS013233 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.13 CC1=CC=C(C=C1)C(C)=O ACS014585 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.13 CC1=CC=C(C=N1)C(C)=O ACS020140 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.13 CC1=NC=C(C(=O)O)C=C1 ACS010066 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.13 CC=1C=CC(=NC1)C(C)=O ACS020665 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.13 ClC1=CC=C(C(=O)O)C=C1 ACS011185 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.13 ClC1=CC=C(C(=O)[O-])C=C1 ACS013279 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.13 ClC1=CC=C(C=C1)C(C)=O ACS015812 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.13 ClC1=CC=C(C=N1)C(C)=O ACS017070 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.13 FC1=CC=C(C(=O)Cl)C=C1 ACF013397 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.13 FC1=CC=C(C(=O)N)C=C1 ACF016752 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.13 FC1=CC=C(C(=O)O)C=C1 ACF013187 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.13 FC1=CC=C(C(=O)[O-])C=C1 ACF013294 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.13 FC1=CC=C(C=C1)C(C)=O ACF014557 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.13 FC=1C=CC(=NC1)C(=O)O ACF012292 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.13 FC=1C=CC(=NC1)C(C)=O ACF021545 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.13 IC1=CC=C(C(=O)Cl)C=C1 ACS016570 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.13 IC1=CC=C(C(=O)O)C=C1 ACS013219 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.13 IC=1C=CC(=NC1)C(=O)O ACS017263 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.13 NC1=CC=C(C(=O)O)C=C1 ACS013042 [2,0,0,0,0,0|0,0,0]=2 121 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS012268 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS019700 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.13 NC1=CC=C(C=C1)C(C)=O ACS010475 [2,0,0,0,0,0|0,0,0]=2 124 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ACS023894 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.13 NC=1C=CC(=NC1)C(C)=O ACS019580 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.13 OC1=CC=C(C(=O)O)C=C1 ACS013211 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.13 OC1=CC=C(C=C1)C(C)=O ACS010478 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.13 OC1=CC=C(C=N1)C(=O)O ACS015219 [2,0,0,0,0,0|2,0,0]=4 129 B12R1.17 BrC1=NC=CC(=N1)C(=O)OCC ACS018748 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.17 BrC=1C=C(C(=O)OCC)C=CC1 ACS012714 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.17 C(C)OC(=O)C1=NC(=CC=C1)Br ACS011368 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.17 C(C)OC(C1=CC(=NC=C1)Br)=O ACS011685 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.17 C(C)OC(C1=CN=CC(=C1)Br)=O ACS010335 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.17 ClC1=CC(=NC=N1)C(=O)OCC ACS018742 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.17 ClC1=NC=CC(=N1)C(=O)OCC ACS017635 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.17 FC=1C=C(C=NC1)C(=O)OCC ACF023220 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.17 NC1=NC=CC(=N1)C(=O)OCC ACS017633 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.17 NC=1C=C(C(=O)OCC)C=CC1 ACS012706 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.17 O=C1NC=CC(=N1)C(=O)OCC ACS017634 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.17 OC1=CC(=NC=N1)C(=O)OCC ACS018936 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.30 C(C1=CC=CC=C1)(=O)OCCCl ACS012695 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.34 BrC(C(=O)C1=CC=CC=C1)CC ACS023937 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.34 C(C1=CC=CC=C1)(=O)C(=O)OC ACS011953 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.308 BrC1=C(C(=O)OCC)C=CC=C1 ACS010559 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.308 BrC1=C(C(=O)OCC)C=CN=C1 ACS011853 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.308 CC1=C(C(=O)OCC)C=CC=C1 ACS012734 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.308 CCOC(=O)c1cncnc1Cl ACS023850 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.308 FC=1C(=NC=CC1)C(=O)OCC ACF023260 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.308 OC1=NC=NC=C1C(=O)OCC ACS018738 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.5 BrCC(=O)C1=CC=C(C=C1)C#N ACS015802 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.5 BrCC(=O)C1=CC=C(C=C1)CC ACS019307 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.5 BrCC1=CC=C(C(=O)OC)C=C1 ACS011583 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.5 C(#N)C1=CC=C(C(=O)OC)C=C1 ACS012825 [1,1,0,0,0,0|0,0,1]=3 154 B12R1.5 C(C)C1=CC=C(C=C1)C(CC)=O ACS015873 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.5 ClCC(=O)C1=CC=C(C=C1)OC ACS014525 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.5 NCC(=O)C1=CC=C(C=C1)OC ACS015790 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.5 NCC1=CC=C(C(=O)OC)C=C1 ACS012769 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)C ACS012802 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)Cl ACS016415 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)F ACF012787 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O ACS012792 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.367 BrC1=NC=C(C(=O)OC)C=C1C ACS020750 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.367 BrC=1C=C(C(=O)OC)C=CC1C ACS012800 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.367 BrC=1C=C(C(=O)OC)C=CC1O ACS016442 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.367 BrCC(=O)C1=CC(=C(C=C1)Cl)Cl ACS014498 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.367 COC(C1=CC(=C(C=C1)I)Br)=O ACS012144 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.367 COC(C1=CC(=C(C=C1)O)F)=O ACF016523 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.367 ClC1=C(C=C(C(=O)OC)C=C1)C ACS012819 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.367 ClC=1C=C(C(=O)OC)C=CC1O ACS012816 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.367 ClCC(=O)C1=CC(=C(C=C1)F)F ACF015816 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.367 ClCC(=O)C1=CC(=C(C=C1)O)O ACS014516 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.367 FC1=CC(=CNC1=O)C(=O)OC ACF021847 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.367 FC=1C=C(C(=O)OC)C=CC1C ACF016619 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.367 FC=1C=C(C(=O)OC)C=CC1F ACF012839 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.367 FC=1C=C(C=CC1F)C(CC)=O ACF014608 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.367 FC=1C=CC(=NC1C)C(=O)OC ACF023195 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.367 IC1=C(C=C(C(=O)OC)C=C1)C ACS012864 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.367 IC=1C=C(C(=O)OC)C=CC1C ACS012863 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.367 NC1=C(C=C(C(=O)OC)C=C1)Br ACS012752 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.367 NC1=C(C=C(C(=O)OC)C=C1)C ACS012768 [1,1,0,0,0,0|0,0,0]=2 181 B12R1.367 NC1=C(C=C(C(=O)OC)C=C1)F ACF012759 [1,1,0,0,0,0|0,0,0]=2 182 B12R1.367 NC1=C(C=C(C(=O)OC)C=C1)I ACS011333 [1,1,0,0,0,0|0,0,0]=2 183 B12R1.367 NC1=C(C=C(C(=O)OC)C=C1)O ACS016399 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.367 NC=1C=C(C(=O)OC)C=CC1Br ACS012751 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.367 NC=1C=C(C(=O)OC)C=CC1N ACS012833 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.367 NC=1C=C(C(=O)OC)C=CC1O ACS012763 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.367 OC1=C(C=C(C(=O)OC)C=C1)I ACS019190 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.367 OC=1C=CC(=NC1O)C(=O)OC ACS020506 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.367 c1cc(c(cc1C(=O)CBr)Br)F ACF014536 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)Br ACS016628 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)Cl ACS016414 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)F ACF016429 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=N1)C ACS020337 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C ACS012801 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)Cl ACS012779 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)F ACF012786 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.1703 BrC1=CC(=C(C=C1)C(CC)=O)F ACF018867 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.1703 BrC1=CC(=C(C=C1)C(CF)=O)O ACF015805 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.1703 BrC=1C=C(C(=NC1)C(=O)OC)C ACS011831 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.1703 BrC=1C=C(C(=NC1)C(=O)OC)F ACF021060 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.1703 BrCC(=O)C1=C(C=C(C=C1)Cl)Cl ACS014496 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.1703 CNC(C1=C(C=C(C=C1)Br)F)=O ACF016755 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.1703 CNC(C1=C(C=C(C=C1)I)F)=O ACF016754 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.1703 COC(=O)C1=C(NC(C=C1)=O)F ACF021848 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.1703 COC(C1=C(C=C(C=C1)C)F)=O ACF016541 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.1703 ClCC(=O)C1=C(C=C(C=C1)F)F ACF015815 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)F ACF012291 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O ACF012849 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)C ACF012853 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.1703 FC=1C(=NC=C(C1)O)C(=O)OC ACF022212 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.1703 FC=1C=C(C(=NC1)C(=O)OC)C ACF021757 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.1703 NC1=C(C(=O)OC)C=CC(=C1)Br ACS010683 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.1703 NC1=C(C(=O)OC)C=CC(=C1)Cl ACS010685 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.1703 NC1=C(C(=O)OC)C=CC(=C1)F ACF016394 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl ACS016631 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)F ACF016397 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.1703 NC1=NC=C(C(=N1)C)C(=O)OC ACS018757 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.1703 NC=1C=C(C(=NC1)C(=O)OC)F ACF022240 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.1703 NC=1NC(C(=CN1)C(=O)OC)=O ACS018756 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.1703 OC1=C(C(=O)OC)C=CC(=C1)I ACS012860 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.312 C(=O)C=1C=C(NC1)C(=O)OCC ACS015347 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.313 CC1=C(NC(=C1)C)C(=O)OCC ACS018794 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.313 CC=1NC(=CC1C(=O)OCC)C ACS017452 [0,1,0,0,1,0|2,0,0]=4 224 B14R1.35 BrC(C(=O)OCC)C1=CC=C(C=C1)Br ACS012716 [0,1,0,0,0,1|1,0,0]=3 225 B14R1.35 CCOC(=O)C(c1ccc(cc1)Cl)Br ACS012712 [0,1,0,0,0,1|1,0,0]=3 226 B14R1.35 CCOC(=O)C(c1ccc(cc1)F)Br ACF017013 [0,1,0,0,0,1|1,0,0]=3 227 B14R1.35 ClC1=CC=C(C(=O)C(=O)OCC)C=C1 ACS016608 [0,1,0,0,0,1|1,0,0]=3 228 B14R1.35 FC=1C=CC(=NC1)C(C(=O)OCC)=O ACF021829 [0,1,0,0,0,1|2,0,0]=4 229 B14R1.954 C(#N)C1=CC=C(C=C1)CC(=O)OCC ACS012721 [0,1,0,0,0,1|0,0,1]=3 230 B14R1.6823 ClC1=CC(=C(C=C1)CC(=O)OCC)F ACF016968 [0,1,0,0,0,1|1,0,0]=3 231 B14R1.19 ClC1=CC=C(C=C1)C(CCCCC)=O ACS020938 [0,2,0,0,0,0|2,0,0]=4 232 B14R1.941 ClC=1C=C(C=CC1Cl)C(CCCC)=O ACS014615 [0,2,0,0,0,0|2,0,0]=4 233 B14R1.2523 OC1=C(C=CC(=C1)C)C(CCCC)=O ACS014614 [0,2,0,0,0,0|2,0,0]=4 234 B14R1.683 BrC1=CC=C(C(=O)OC(C)(C)C)C=C1 ACS012892 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.683 BrC=1C=CC(=NC1)C(=O)OC(C)(C)C ACS015252 [0,2,0,0,0,0|2,0,0]=4 236 B14R1.683 C(C)(C)(C)OC(C1=CC=C(C=C1)O)=O ACS016557 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.683 NC1=CC=C(C(=O)OC(C)(C)C)C=C1 ACS012889 [0,2,0,0,0,0|0,0,0]=2 238 B14R1.25 N(=C=O)C1=CC=C(C(=O)OCC)C=C1 ACS017030 [0,2,0,0,0,0|0,0,1]=3 239 B14R1.610 C(C)NC(=O)C1=CC=C(C=C1)B(O)O ACS019742 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.628 BrC=1C=C(C(=O)OCC)C=CC1C#N ACS016418 [0,2,0,0,0,0|0,0,1]=3 241 B14R1.626 NC1=C(C=C(C(=O)OCC)C=C1)OC ACS012708 [0,2,0,0,0,0|0,0,0]=2 242 B14R1.6821 FC=1C=C(C(=O)OCC)C=C(C1F)F ACF012740 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.6821 NC=1C=C(C(=O)OCC)C=C(C1C)F ACF011317 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.7264 FC1=C(C(=O)OCC)C=C(C(=C1)F)F ACF016604 [0,2,0,0,0,0|1,0,0]=3 245 B14R1.7264 NC1=C(C(=O)OCC)C=C(C(=C1)F)F ACF012707 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.7265 BrC1=C(C(=C(C(=O)OCC)C=C1)O)O ACS019805 [0,2,0,0,0,0|1,0,0]=3 247 B14R1.18811 CC1=C(C(=O)OCC)C(=CC(=C1)C)C ACS012744 [0,2,0,0,0,0|1,0,0]=3 248 B14R1.18811 NC1=NC(=C(C(=N1)C)C(=O)OCC)C ACS018759 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.18811 OC1=C(C(=O)OCC)C(=CC(=N1)C)C ACS019405 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.18811 OC1=C(C(=O)OCC)C(=CC(=N1)C)O ACS012033 [0,2,0,0,0,0|2,0,0]=4 251 B12R2.24 BrC=1C=C2CCOCC2=CC1 ACS017385 [1,0,0,1,0,0|1,0,1]=4 252 B12R2.1081 C1(CCCC2=CC=CC=C12)=O ACS011590 [1,0,0,1,0,0|1,0,0]=3 253 B12R2.1081 C1(OCCC2=CC=CC=C12)=O ACS018859 [1,0,0,1,0,0|0,0,0]=2 254 B12R2.1081 C1OCC(C2=C1C=CC=C2)=O ACS015455 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.1081 N1=CC=CC=2C(CCCC12)=O ACS024496 [1,0,0,1,0,0|2,0,0]=4 256 B12R2.1081 N1CCC(C2=CC=CC=C12)=O ACS017544 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.1081 O1CCC(C2=CC=CC=C12)=O ACS015447 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.2028 C1(C=2C(C(=O)O1)=CC=CC2)=O ACS015508 [1,0,0,1,0,0|1,0,1]=4 259 B12R2.2028 OI1OC(C2=C1C=CC=C2)=O ACS011601 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.612 BrC=1C=C2COC(=O)C2=CC1 ACS011975 [1,0,0,1,0,0|1,0,0]=3 261 B12R2.612 ClC=1C=C2CCC(C2=CC1)=O ACS010300 [1,0,0,1,0,0|1,0,0]=3 262 B12R2.612 FC=1C=C2CCC(C2=CC1)=O ACF010326 [1,0,0,1,0,0|1,0,0]=3 263 B12R2.612 OC1=CC2=C(C(CO2)=O)C=C1 ACS017478 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.612 OC=1C=C2CCC(C2=CC1)=O ACS011173 [1,0,0,1,0,0|1,0,0]=3 265 B10R1.11 N1C(=CC=C1)C(=O)OCC ACS015352 [1,0,0,0,1,0|1,0,0]=3 266 B10R1.11 N1C(=NC=C1)C(=O)OCC ACS024143 [1,0,0,0,1,0|2,0,0]=4 267 B10R1.11 O1C=NC(=C1)C(=O)OCC ACS023781 [1,0,0,0,1,0|2,0,0]=4 268 B10R1.14 BrC1=CC(=CS1)C(=O)OC ACS017304 [1,0,0,0,1,0|2,0,0]=4 269 B10R1.14 CC1=CC=C(O1)C(CC)=O ACS015375 [1,0,0,0,1,0|2,0,0]=4 270 B10R1.14 COC(=O)C=1OC=C(C1)Br ACS023671 [1,0,0,0,1,0|2,0,0]=4 271 B10R1.14 ClC1=CC=C(O1)C(=O)OC ACS015367 [1,0,0,0,1,0|2,0,0]=4 272 B10R1.14 FC=1C=C(NC1)C(=O)OC ACF021851 [1,0,0,0,1,0|2,0,0]=4 273 B10R1.14 NC=1SC=C(N1)C(=O)OC ACS015366 [1,0,0,0,1,0|2,0,0]=4 274 B12R1.32 N1=C(C=CC=C1)CC(=O)OCC ACS015216 [1,0,0,0,0,1|1,0,0]=3 275 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl ACS017165 [0,0,0,0,0,2|1,0,0]=3 276 B14R1.502 ClC1=CC=C(C=CC(=O)OCC)C=C1 ACS016915 [0,0,0,0,0,2|1,0,0]=3 277 B14R1.502 FC1=CC=C(C=C1)CCC(=O)OCC ACF012730 [0,0,0,0,0,2|1,0,0]=3 278 B14R1.502 NC1=CC=C(C=C1)CCC(=O)OCC ACS019124 [0,0,0,0,0,2|0,0,0]=2