0 B4R0.1 BrC(CBr)F ACF024067 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 BrCC(=O)Cl ACS012114 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 BrCC(C)=O ACS012097 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 C(C#C)(=O)O ACS024114 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 C(C=C)(=O)N ACS015634 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 C(CC)(=O)Cl ACS013417 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 C[C@H](CO)Cl ACS011129 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C[C@H](CO)O ACS010855 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 ClCC(=O)O ACS015650 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 ClCC(=O)[O-] ACS015652 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 ClCC(F)F ACF024215 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 ClC[C@@H](C)O ACS011608 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 ClC[C@H](C)O ACS011609 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 FC(CO)F ACF024132 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NCC(=O)[O-] ACS011283 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.1 N[C@@H](C)CO ACS010824 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.1 BrCCBr ACS015665 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 BrCCO ACS012288 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 C(C=C)Br ACS015635 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 C(CC)#N ACS015759 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.1 C(CS)S ACS011518 [1,0,0,0,0,0|1,1,1]=4 21 B3R0.1 CNOC ACS012143 [1,0,0,0,0,0|3,0,0]=4 22 B3R0.1 COCCl ACS015654 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 Cl/C=C/Cl ACS015767 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 ClCC#N ACS015649 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.2 BrC(=C)F ACF024060 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 BrC(C)C ACS015643 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 C(=C)(F)F ACF024264 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 C(=S)(N)N ACS015740 [1,0,0,0,0,0|2,1,0]=4 29 B3R0.2 C(C)(=O)Cl ACS013367 [1,0,0,0,0,0|1,0,0]=2 30 B3R0.2 C(C)(=O)N ACS013872 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.2 C(C)(=O)O ACS011399 [1,0,0,0,0,0|0,0,0]=1 32 B3R0.2 C(C)(=O)[O-] ACS010569 [1,0,0,0,0,0|0,0,1]=2 33 B3R0.2 C(C)(=O)[O-] ACS015708 [1,0,0,0,0,0|0,0,1]=2 34 B3R0.2 C(C)(=O)[O-] ACS024406 [1,0,0,0,0,0|0,0,1]=2 35 B3R0.2 C(C)(=O)[O-] ACS024421 [1,0,0,0,0,0|0,0,1]=2 36 B3R0.2 C(C)(=S)O ACS017184 [1,0,0,0,0,0|0,1,0]=2 37 B3R0.2 CP(C)=O ACS012210 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.2 CS(=O)[O-] ACS017178 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.2 ClC(=C)F ACF024061 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 P(O)([O-])[O-] ACS024495 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 [N+](=O)([O-])C ACS015727 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.2 [O-][Sn](=O)[O-] ACS012313 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 C(#N)CC(=O)O ACS015661 [0,1,0,0,0,0|0,0,1]=2 44 B5R0.1 C(/C=C/C)(=O)O ACS015662 [0,1,0,0,0,0|0,0,1]=2 45 B5R0.1 C(C#CC)(=O)O ACS011747 [0,1,0,0,0,0|0,0,1]=2 46 B5R0.1 CC(=CCBr)C ACS015684 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 COCC(=O)N ACS015711 [0,1,0,0,0,0|1,0,0]=2 48 B5R0.1 ClCCC(=O)O ACS015651 [0,1,0,0,0,0|0,0,0]=1 49 B5R0.1 OCCC(=O)O ACS011495 [0,1,0,0,0,0|0,0,0]=1 50 B5R0.3 C(NN)(=O)OC ACS011847 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.3 C([C@@H](CCl)O)O ACS010830 [0,1,0,0,0,0|1,0,2]=4 52 B5R0.3 C([C@@H](CO)O)N ACS010825 [0,1,0,0,0,0|1,0,2]=4 53 B5R0.3 C([C@H](CCl)O)O ACS010831 [0,1,0,0,0,0|1,0,2]=4 54 B5R0.3 CNC(CCl)=O ACS012232 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.3 NC(CO)CC ACS011654 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.3 NCC(CN)O ACS012389 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.3 NC[C@@H](CCl)O ACS020120 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.3 NC[C@@H](CO)F ACF022187 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.3 NC[C@H](CO)F ACF022188 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.3 O=C[C@@H](O)CO ACS010919 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.3 O=C[C@@H](O)CO ACS010920 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.3 SCC(=O)OC ACS011380 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.5 C(C(=O)C)(=O)O ACS015732 [0,1,0,0,0,0|0,0,1]=2 64 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,1,0,0,0,0|0,0,0]=1 66 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,1,0,0,0,0|0,0,0]=1 67 B5R0.5 ClC(C(=O)[O-])Cl ACS012157 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.5 FC(C(=O)C)F ACF024170 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.5 FC(C(=O)O)C ACF017008 [0,1,0,0,0,0|0,0,0]=1 70 B5R0.5 FC(C(=O)O)F ACF011499 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.5 NC(=O)C(=O)N ACS011838 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.5 NC(C)B(O)O ACS019375 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.5 N[C@@H](C)B(O)O ACS019409 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.5 N[C@H](C)B(O)O ACS019415 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,1,0,0,0,0|0,0,0]=1 76 B5R1.2 C1(CCC1)=O ACS011189 [0,0,0,1,0,0|1,0,0]=2 77 B5R1.3 C(Cl)C1CO1 ACS015346 [0,0,0,1,0,0|2,0,1]=4 78 B5R1.3 C1C(O1)CCl ACS010842 [0,0,0,1,0,0|2,0,1]=4 79 B5R1.3 C1[C@H](CC)O1 ACS011611 [0,0,0,1,0,0|1,0,1]=3 80 B5R1.5 CC1(CC1)O ACS023902 [0,0,0,1,0,0|1,0,1]=3 81 B2R0.1 BrCF ACF024059 [2,0,0,0,0,0|2,0,0]=4 82 B2R0.1 CNC ACS011889 [2,0,0,0,0,0|1,0,1]=4 83 B2R0.1 CNC ACS015682 [2,0,0,0,0,0|1,0,1]=4 84 B2R0.1 CO[NH3+] ACS015713 [2,0,0,0,0,0|2,0,0]=4 85 B2R0.1 O=[Si]=O ACS024429 [2,0,0,0,0,0|0,1,1]=4 86 B2R0.1 [PH2](=O)[O-] ACS011509 [2,0,0,0,0,0|1,0,1]=4 87 B2R0.1 [Se](=O)=O ACS024426 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 BrCCCCl ACS015639 [1,1,0,0,0,0|1,0,1]=4 89 B4R0.2 C(/C=C/C)=O ACS015659 [1,1,0,0,0,0|0,0,1]=3 90 B4R0.2 C(=C)OCC ACS015700 [1,1,0,0,0,0|1,0,0]=3 91 B4R0.2 C(=O)OCC ACS015696 [1,1,0,0,0,0|0,0,0]=2 92 B4R0.2 C(CCC)=O ACS015647 [1,1,0,0,0,0|0,0,0]=2 93 B4R0.2 C(CCC)O ACS015648 [1,1,0,0,0,0|0,0,1]=3 94 B4R0.2 CCOCC ACF015760 [1,1,0,0,0,0|1,0,1]=4 95 B4R0.2 CNCC#C ACS015721 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.2 COCC#N ACS013800 [1,1,0,0,0,0|1,0,1]=4 97 B4R0.2 FCCCO ACF017205 [1,1,0,0,0,0|0,0,1]=3 98 B4R0.3 CS(=O)(=O)Cl ACS013335 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.3 CS(=O)(=O)F ACF024294 [1,1,0,0,0,0|1,0,1]=4 100 B4R0.3 CS(=O)(=O)O ACS013364 [1,1,0,0,0,0|1,0,0]=3 101 B4R0.3 FS(=O)(=O)O ACF024565 [1,1,0,0,0,0|2,0,0]=4 102 B4R0.3 I(=O)(=O)(=O)O ACS011316 [1,1,0,0,0,0|2,0,0]=4 103 B4R0.3 S(=O)(=O)(O)O ACS012161 [1,1,0,0,0,0|2,0,0]=4 104 B4R0.3 S(=O)(=O)(O)O ACS015755 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.1 BrCC(=O)OCC ACS015691 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [0,2,0,0,0,0|0,0,1]=3 107 B6R0.1 C(C)OC(CN)=O ACS015702 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.1 ClCC(=O)OCC ACS015694 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.1 I\C=C\C(=O)OC ACS011459 [0,2,0,0,0,0|0,0,2]=4 110 B6R0.2 C(CC(=O)O)(=O)O ACS015709 [0,2,0,0,0,0|0,0,1]=3 111 B6R0.2 C(CC(=O)O)(=O)O ACS015731 [0,2,0,0,0,0|0,0,1]=3 112 B6R0.2 CC(=CC(=O)O)C ACS012002 [0,2,0,0,0,0|0,0,1]=3 113 B6R0.2 FC(CC(=O)O)F ACF023578 [0,2,0,0,0,0|0,0,0]=2 114 B6R0.2 [N+](=O)([O-])CC(=O)N ACS018988 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,2,0,0,0,0|0,0,0]=2 116 B6R0.3 C/C(=C/C)/B(O)O ACS020614 [0,2,0,0,0,0|1,0,1]=4 117 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [0,2,0,0,0,0|0,0,0]=2 119 B6R0.3 FC(C(=O)OC)=C ACF024253 [0,2,0,0,0,0|0,0,2]=4 120 B6R0.3 FC(C(=O)OC)F ACF024197 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.3 NC(CO)C(=O)O ACS011404 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.3 N[C@@H](CC)B(O)O ACS019410 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.3 N[C@H](C(=O)O)C=C ACS012215 [0,2,0,0,0,0|0,0,1]=3 124 B6R0.3 N[C@H](CO)C(=O)O ACS011375 [0,2,0,0,0,0|0,0,0]=2 125 B6R0.3 N[C@H](CS)C(=O)O ACS012192 [0,2,0,0,0,0|0,0,0]=2 126 B6R0.3 O=C(C(=O)O)CC ACS023994 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.3 O=C(C(=O)[O-])CC ACS024011 [0,2,0,0,0,0|0,0,1]=3 128 B6R0.4 ClCCCC(=O)Cl ACS013379 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.5 CCCS(=O)(=O)Cl ACS012105 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.8 BrC(C=O)(CC)Br ACS015664 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.8 S(=O)(=O)(OC)OC ACS015685 [0,2,0,0,0,0|2,0,0]=4 132 B6R0.7 BrC(C(=O)Br)(C)C ACS011903 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.7 BrC(C(=O)[O-])(F)F ACF024231 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.7 CC(C(C)(C)C)=O ACS015733 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.7 CC(C)(C)S(=O)N ACS010884 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.7 CC(C)(C)[S@](=O)N ACS010883 [0,2,0,0,0,0|2,0,0]=4 137 B6R0.7 CC(C)S(=O)(=O)Cl ACS013334 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.7 ClC(C(=O)Cl)(Cl)Cl ACS013419 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.7 ClC(C(=O)O)(F)F ACF024168 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.7 ClC(C(=O)[O-])(F)F ACF024169 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.7 FC(C(=O)C)(F)F ACF024075 [0,2,0,0,0,0|2,0,0]=4 142 B6R0.7 FC(C(=O)N)(F)F ACF024055 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.7 FC(C(=O)O)(Br)F ACF024230 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.7 FC(C(=O)O)(F)F ACF015747 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.7 FC(C(=O)O)(F)F ACF021190 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.7 FC(C(=O)O)(F)F ACF021191 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.7 FC(C(=O)O)(F)F ACF021192 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.7 FC(C(=O)O)(F)F ACF021730 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.7 FC(C(=O)O)(F)F ACF021731 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.7 FC(C(=O)O)(F)F ACF021732 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.7 FC(C(=O)O)(F)F ACF021733 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.7 FC(C(=O)O)(F)F ACF021734 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.7 FC(C(=O)O)(F)F ACF021735 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.7 FC(C(=O)O)(F)F ACF021870 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.7 FC(C(=O)O)(F)F ACF021871 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.7 FC(C(=O)O)(F)F ACF021872 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.7 FC(C(=O)O)(F)F ACF023042 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.7 FC(C(=O)O)(F)F ACF023588 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.7 FC(C(=O)O)(F)F ACF024092 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.7 FC(C(=O)[O-])(F)F ACF015729 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.7 FC(C(=O)[O-])(F)F ACF024090 [0,2,0,0,0,0|1,0,1]=4 162 B4R1.1 C1CCC1 ACS015527 [1,0,0,1,0,0|1,0,1]=4 163 B4R1.2 BrC1CC1 ACS015608 [1,0,0,1,0,0|1,0,1]=4 164 B4R1.2 C1(CC1)O ACS020572 [1,0,0,1,0,0|0,0,1]=3 165 B4R1.2 CC1=CC1 ACS011913 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.2 BrC1COCC1 ACS019129 [0,1,0,1,0,0|1,0,1]=4 167 B6R1.2 C1(CCCC1)=O ACS012220 [0,1,0,1,0,0|1,0,0]=3 168 B6R1.2 C1COC[C@@H]1O ACS010999 [0,1,0,1,0,0|0,0,2]=4 169 B6R1.2 CC1CCCO1 ACS011384 [0,1,0,1,0,0|1,0,1]=4 170 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,1,0,1,0,0|1,0,1]=4 171 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,1,0,1,0,0|1,0,1]=4 172 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,1,0,1,0,0|1,0,1]=4 173 B6R1.2 O1NC(C=C1)=O ACS018882 [0,1,0,1,0,0|0,0,2]=4 174 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,1,0,1,0,0|1,0,1]=4 175 B6R1.2 S1C(NCC1)=O ACS011643 [0,1,0,1,0,0|0,1,0]=3 176 B6R1.2 S1CC(CC1)=O ACS010816 [0,1,0,1,0,0|0,1,0]=3 177 B6R1.5 CN1CC(C1)O ACS023900 [0,1,0,1,0,0|1,0,1]=4 178 B6R1.5 FC1CC(C1)=O ACF021232 [0,1,0,1,0,0|1,0,0]=3 179 B6R1.5 FC1CC(C1)O ACF021435 [0,1,0,1,0,0|1,0,1]=4 180 B6R1.5 F[C@@H]1C[C@H](C1)O ACF023004 [0,1,0,1,0,0|1,0,1]=4 181 B6R1.5 F[C@H]1C[C@H](C1)O ACF023003 [0,1,0,1,0,0|1,0,1]=4 182 B6R1.11 C1(CC1)B(O)O ACS010571 [0,1,0,1,0,0|1,0,1]=4 183 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [0,1,0,1,0,0|1,0,0]=3 184 B6R1.11 C1(CC1)C(=O)N ACS014088 [0,1,0,1,0,0|1,0,0]=3 185 B6R1.11 C1(CC1)C(N)=N ACS015578 [0,1,0,1,0,0|2,0,0]=4 186 B6R1.11 C1(CC1)C(N)=S ACS012201 [0,1,0,1,0,0|1,1,0]=4 187 B6R1.4 FC1C(CC1)O ACF023529 [0,1,0,1,0,0|1,0,1]=4 188 B6R1.6 C1(CCC1)CO ACS023762 [0,1,0,1,0,0|1,0,1]=4