0 B5R0.5 B(B(O)O)(O)O ACS011980 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C(C(=O)C)(=O)O ACS015732 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 ClC(C(=O)[O-])Cl ACS012157 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 FC(C(=O)C)F ACF024170 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 FC(C(=O)O)C ACF017008 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 FC(C(=O)O)F ACF011499 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 NC(=O)C(=O)N ACS011838 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.5 NC(C)B(O)O ACS019375 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 N[C@@H](C)B(O)O ACS019409 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 N[C@H](C)B(O)O ACS019415 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 BrCC(=O)Cl ACS012114 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 BrCC(C)=O ACS012097 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C(C#C)(=O)O ACS024114 [1,0,0,0,0,0|0,0,2]=3 17 B4R0.1 C(C(C)C)#N ACS015707 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(C)(C)NN ACS014063 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C(C=C)(=O)N ACS015634 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C(CC)(=O)Cl ACS013417 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 C[C@H](CO)Cl ACS011129 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C[C@H](CO)O ACS010855 [1,0,0,0,0,0|0,0,1]=2 23 B4R0.1 ClCC(=O)O ACS015650 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 ClCC(=O)[O-] ACS015652 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 ClC[C@@H](C)O ACS011608 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 ClC[C@H](C)O ACS011609 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 FC(CO)F ACF024132 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 NCC(=O)[O-] ACS011283 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 N[C@@H](C)CO ACS010824 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [0,1,0,0,0,0|0,0,0]=1 33 B6R0.3 FC(C(=O)OC)=C ACF024253 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 FC(C(=O)OC)F ACF024197 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 NC(CO)C(=O)O ACS011404 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 N[C@@H](CC)B(O)O ACS019410 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 N[C@H](C(=O)O)C=C ACS012215 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 N[C@H](CO)C(=O)O ACS011375 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 N[C@H](CS)C(=O)O ACS012192 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 O=C(C(=O)O)CC ACS023994 [0,1,0,0,0,0|0,0,2]=3 41 B6R0.3 O=C(C(=O)[O-])CC ACS024011 [0,1,0,0,0,0|0,0,3]=4 42 B6R0.7 BrC(C(=O)Br)(C)C ACS011903 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.7 BrC(C(=O)[O-])(F)F ACF024231 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.7 CC(C(C)(C)C)=O ACS015733 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.7 CC(C)(C)S(=O)N ACS010884 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.7 CC(C)(C)[S@](=O)N ACS010883 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.7 CC(C)S(=O)(=O)Cl ACS013334 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.7 C[C@H](O)C(F)(F)F ACF022482 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.7 ClC(C(=O)Cl)(Cl)Cl ACS013419 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.7 ClC(C(=O)O)(F)F ACF024168 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.7 ClC(C(=O)[O-])(F)F ACF024169 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.7 FC(C(=O)C)(F)F ACF024075 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.7 FC(C(=O)N)(F)F ACF024055 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.7 FC(C(=O)O)(Br)F ACF024230 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.7 FC(C(=O)O)(F)F ACF015747 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.7 FC(C(=O)O)(F)F ACF021190 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.7 FC(C(=O)O)(F)F ACF021191 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.7 FC(C(=O)O)(F)F ACF021192 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.7 FC(C(=O)O)(F)F ACF021730 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.7 FC(C(=O)O)(F)F ACF021731 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.7 FC(C(=O)O)(F)F ACF021732 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.7 FC(C(=O)O)(F)F ACF021733 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.7 FC(C(=O)O)(F)F ACF021734 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.7 FC(C(=O)O)(F)F ACF021735 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.7 FC(C(=O)O)(F)F ACF021870 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.7 FC(C(=O)O)(F)F ACF021871 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.7 FC(C(=O)O)(F)F ACF021872 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.7 FC(C(=O)O)(F)F ACF023042 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.7 FC(C(=O)O)(F)F ACF023588 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.7 FC(C(=O)O)(F)F ACF024092 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.7 FC(C(=O)[O-])(F)F ACF015729 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.7 FC(C(=O)[O-])(F)F ACF024090 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.7 FC(C(C)O)(F)F ACF024141 [0,1,0,0,0,0|2,0,1]=4 74 B6R1.4 FC1C(CC1)O ACF023529 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.9 FC1(C(C1)O)F ACF021749 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.11 C1(CC1)B(O)O ACS010571 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.11 C1(CC1)C(=O)N ACS014088 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.11 C1(CC1)C(N)=N ACS015578 [0,0,0,1,0,0|3,0,0]=4 80 B6R1.11 C1(CC1)C(N)=S ACS012201 [0,0,0,1,0,0|2,1,0]=4 81 B6R0.2 C(CC(=O)O)(=O)O ACS015709 [0,0,0,0,0,1|1,0,1]=3 82 B6R0.2 C(CC(=O)O)(=O)O ACS015731 [0,0,0,0,0,1|1,0,1]=3 83 B6R0.2 CC(=CC(=O)O)C ACS012002 [0,0,0,0,0,1|1,0,1]=3 84 B6R0.2 FC(CC(=O)O)F ACF023578 [0,0,0,0,0,1|2,0,0]=3 85 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.1 C(C=C)Br ACS015635 [2,0,0,0,0,0|2,0,0]=4 87 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 88 B3R0.2 BrC(C)C ACS015643 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.2 C(C)(=O)Cl ACS013367 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.2 C(C)(=O)N ACS013872 [2,0,0,0,0,0|1,0,0]=3 91 B3R0.2 C(C)(=O)O ACS011399 [2,0,0,0,0,0|0,0,0]=2 92 B3R0.2 C(C)(=O)[O-] ACS010569 [2,0,0,0,0,0|0,0,1]=3 93 B3R0.2 C(C)(=O)[O-] ACS015708 [2,0,0,0,0,0|0,0,1]=3 94 B3R0.2 C(C)(=O)[O-] ACS024406 [2,0,0,0,0,0|0,0,1]=3 95 B3R0.2 C(C)(=O)[O-] ACS024421 [2,0,0,0,0,0|0,0,1]=3 96 B3R0.2 C(C)(=S)O ACS017184 [2,0,0,0,0,0|0,1,0]=3 97 B3R0.2 CP(C)=O ACS012210 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 CS(=O)[O-] ACS017178 [2,0,0,0,0,0|1,0,1]=4 99 B3R0.2 [N+](=O)([O-])C ACS015727 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 C(#N)CC(=O)O ACS015661 [1,1,0,0,0,0|0,0,1]=3 101 B5R0.1 C(/C=C/C)(=O)O ACS015662 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.1 C(C#CC)(=O)O ACS011747 [1,1,0,0,0,0|0,0,1]=3 103 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 COCC(=O)N ACS015711 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 ClCCC(=O)O ACS015651 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.1 OCCC(=O)O ACS011495 [1,1,0,0,0,0|0,0,0]=2 107 B5R0.3 BrC(C=O)C=O ACS015637 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.3 C(NN)(=O)OC ACS011847 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.3 C([C@@H](CCl)O)O ACS010830 [1,1,0,0,0,0|0,0,1]=3 110 B5R0.3 C([C@@H](CO)O)N ACS010825 [1,1,0,0,0,0|0,0,1]=3 111 B5R0.3 C([C@H](CCl)O)O ACS010831 [1,1,0,0,0,0|0,0,1]=3 112 B5R0.3 CNC(CCl)=O ACS012232 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.3 NC(CO)CC ACS011654 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.3 NCC(CN)O ACS012389 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.3 NC[C@@H](CCl)O ACS020120 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.3 NC[C@@H](CO)F ACF022187 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.3 NC[C@H](CO)F ACF022188 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,1,0,0,0,0|0,0,0]=2 119 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,1,0,0,0,0|0,0,0]=2 120 B5R0.3 SCC(=O)OC ACS011380 [1,1,0,0,0,0|0,1,0]=3 121 B5R0.4 CC(C=O)(C)C ACS010245 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.4 ClC(C=O)(Cl)Cl ACS015756 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.2 C(C(CN)O)C(=O)O ACS015779 [0,1,0,0,0,1|0,0,0]=2 124 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [0,1,0,0,0,1|0,0,2]=4 125 B7R0.2 NC[C@@H](CC(=O)O)O ACS010827 [0,1,0,0,0,1|0,0,0]=2 126 B7R0.9 C(C)(=O)OC(C)(C)C ACS024598 [0,1,0,0,0,1|2,0,0]=4 127 B7R0.9 CC(CC(=O)Cl)(C)C ACS012390 [0,1,0,0,0,1|2,0,0]=4 128 B7R0.9 FC(CC(=O)O)(F)F ACF024083 [0,1,0,0,0,1|2,0,0]=4 129 B7R0.16 CC(C)C(C(=O)O)N ACS024385 [0,1,0,0,0,1|1,0,0]=3 130 B7R0.5 BrC(C(=O)OCC)F ACF015692 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.5 C(C#C)[C@@H](N)C(=O)O ACS012163 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.5 ClC(C(=O)OCC)F ACF015693 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.5 FC(C(=O)OCC)F ACF024176 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [0,2,0,0,0,0|0,0,0]=2 136 B7R0.10 COC(C(N)CO)=O ACS011388 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.13 CC(C(=O)Cl)(CC)C ACS012391 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.13 CC(C(=O)O)(CO)C ACS012226 [0,2,0,0,0,0|0,0,0]=2 139 B7R0.14 FC(C(=O)OC)(C)C ACF017179 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.14 NC(C(=O)OC)(C)C ACS011771 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.15 C(C)C(C(=O)[O-])CC ACS012235 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.15 COC(C(=O)C)OC ACS011290 [0,2,0,0,0,0|1,0,0]=3 143 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,1,0,0|1,0,0]=3 144 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|1,0,1]=4 145 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|1,0,1]=4 146 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|1,0,1]=4 147 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|1,0,1]=4 148 B5R1.5 CC1(CC1)O ACS023902 [1,0,0,1,0,0|1,0,1]=4 149 B5R1.5 CC1(OC1)C ACS015341 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.2 FC1CC(CC1)=O ACF022433 [0,0,0,1,0,1|2,0,0]=4 151 B7R1.12 FC1C(C1)C(=O)O ACF021646 [0,0,0,1,0,1|1,0,0]=3 152 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021647 [0,0,0,1,0,1|1,0,0]=3 153 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021648 [0,0,0,1,0,1|1,0,0]=3 154 B7R1.12 F[C@H]1[C@H](C1)C(=O)O ACF012314 [0,0,0,1,0,1|1,0,0]=3 155 B7R1.20 C1(CC1)CC(=O)O ACS016976 [0,0,0,1,0,1|1,0,0]=3 156 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.22 BrCC(=O)C1CC1 ACS015800 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,1,0,1,0,0|1,0,0]=3 160 B7R0.6 C(#CC(=O)O)C(=O)O ACS011587 [0,0,0,0,0,2|1,0,1]=4 161 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [0,0,0,0,0,2|2,0,0]=4