0 B4R0.1 BrC(CBr)F ACF024067 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 BrCC(=O)Cl ACS012114 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 BrCC(C)=O ACS012097 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C(C(C)C)#N ACS015707 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 C(C)(C)NN ACS014063 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 C(CC)(=O)Cl ACS013417 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C[C@H](CO)Cl ACS011129 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 C[C@H](CO)O ACS010855 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 ClCC(=O)O ACS015650 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 ClCC(=O)[O-] ACS015652 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 ClCC(F)F ACF024215 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 ClC[C@@H](C)O ACS011608 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 ClC[C@H](C)O ACS011609 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 FC(CO)F ACF024132 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 NCC(=O)[O-] ACS011283 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 N[C@@H](C)CO ACS010824 [0,0,0,0,0,0|2,0,0]=2 16 B3R0.1 BrCCBr ACS015665 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.1 BrCCO ACS012288 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 C(C=C)Br ACS015635 [1,0,0,0,0,0|1,0,2]=4 19 B3R0.1 C(CC)#N ACS015759 [1,0,0,0,0,0|0,0,2]=3 20 B3R0.1 C(CS)S ACS011518 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 23 B3R0.1 ClCC#N ACS015649 [1,0,0,0,0,0|1,0,2]=4 24 B3R0.2 BrC(C)C ACS015643 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.2 BrC(F)Br ACF024065 [1,0,0,0,0,0|3,0,0]=4 26 B3R0.2 C(=S)(N)N ACS015740 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 C(C)(=O)Cl ACS013367 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 C(C)(=O)N ACS013872 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.2 C(C)(=O)O ACS011399 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.2 C(C)(=O)[O-] ACS010569 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.2 C(C)(=O)[O-] ACS015708 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.2 C(C)(=O)[O-] ACS024406 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.2 C(C)(=O)[O-] ACS024421 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.2 C(C)(=S)O ACS017184 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.2 C(Cl)(Cl)Cl ACS015743 [1,0,0,0,0,0|3,0,0]=4 36 B3R0.2 CP(C)=O ACS012210 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.2 CS(=O)[O-] ACS017178 [1,0,0,0,0,0|3,0,0]=4 38 B3R0.2 [N+](=O)([O-])C ACS015727 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 C(C)(C)SC#N ACS015768 [0,1,0,0,0,0|0,0,2]=3 40 B5R0.1 CC(=CCBr)C ACS015684 [0,1,0,0,0,0|1,0,1]=3 41 B5R0.1 CC(CC=O)C ACS015719 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.3 C(NN)(=O)OC ACS011847 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.3 C([C@@H](CCl)O)O ACS010830 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.3 C([C@@H](CO)O)N ACS010825 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.3 C([C@H](CCl)O)O ACS010831 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.3 CNC(CCl)=O ACS012232 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.3 NC(CO)CC ACS011654 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.3 NCC(CN)O ACS012389 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.3 NC[C@@H](CCl)O ACS020120 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.3 NC[C@@H](CO)F ACF022187 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.3 NC[C@H](CO)F ACF022188 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.3 O=C[C@@H](O)CO ACS010919 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.3 O=C[C@@H](O)CO ACS010920 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.3 SCC(=O)OC ACS011380 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.4 BrC(CBr)(F)F ACF024068 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.4 CC(C#N)(C)C ACS015757 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.4 CC(C=O)(C)C ACS010245 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.4 CC(CN)(C)N ACS020018 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.4 FC(CN)(F)F ACF024052 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.4 FC(CN)(F)F ACF024053 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.4 FC(CO)(F)F ACF024241 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.4 NCC(C)(S)C ACS017169 [0,1,0,0,0,0|0,0,0]=1 63 B5R0.5 BrC(C(Br)Br)Br ACS015640 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.5 FC(C(=O)C)F ACF024170 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.5 FC(C(=O)O)C ACF017008 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.5 NC(C)B(O)O ACS019375 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.5 N[C@@H](C)B(O)O ACS019409 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.5 N[C@H](C)B(O)O ACS019415 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,1,0,0,0,0|2,0,1]=4 73 B5R1.2 C1(CCC1)=O ACS011189 [0,0,0,1,0,0|2,0,1]=4 74 B5R1.2 FC1CNC1 ACF021018 [0,0,0,1,0,0|1,0,0]=2 75 B5R1.2 FC1CNC1 ACF021019 [0,0,0,1,0,0|1,0,0]=2 76 B5R1.3 BrCC1CC1 ACS016880 [0,0,0,1,0,0|1,0,0]=2 77 B5R1.3 C(#N)C1CC1 ACS015609 [0,0,0,1,0,0|0,0,2]=3 78 B5R1.3 C(Cl)C1CO1 ACS015346 [0,0,0,1,0,0|2,0,0]=3 79 B5R1.3 C1(CC1)CO ACS011265 [0,0,0,1,0,0|1,0,0]=2 80 B5R1.3 C1C(O1)CCl ACS010842 [0,0,0,1,0,0|2,0,0]=3 81 B5R1.3 C1[C@H](CC)O1 ACS011611 [0,0,0,1,0,0|2,0,0]=3 82 B5R1.4 FC1C(C1)N ACF021649 [0,0,0,1,0,0|1,0,0]=2 83 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [0,0,0,1,0,0|1,0,0]=2 84 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [0,0,0,1,0,0|1,0,0]=2 85 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [0,0,0,1,0,0|1,0,0]=2 86 B5R1.5 CC1(CC1)O ACS023902 [0,0,0,1,0,0|2,0,0]=3 87 B5R1.5 CC1(OC1)C ACS015341 [0,0,0,1,0,0|1,0,0]=2 88 B2R0.1 BrCF ACF024059 [2,0,0,0,0,0|2,0,0]=4 89 B2R0.1 C(#N)N ACS015660 [2,0,0,0,0,0|1,0,1]=4 90 B2R0.1 CNC ACS011889 [2,0,0,0,0,0|1,0,0]=3 91 B2R0.1 CNC ACS015682 [2,0,0,0,0,0|1,0,0]=3 92 B2R0.1 CO[NH3+] ACS015713 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 BrCCCCl ACS015639 [1,1,0,0,0,0|1,0,0]=3 94 B4R0.2 C(=C)OCC ACS015700 [1,1,0,0,0,0|1,0,1]=4 95 B4R0.2 C(=O)OCC ACS015696 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.2 C(CCC)=O ACS015647 [1,1,0,0,0,0|1,0,0]=3 97 B4R0.2 C(CCC)O ACS015648 [1,1,0,0,0,0|1,0,0]=3 98 B4R0.2 CCOCC ACF015760 [1,1,0,0,0,0|1,0,0]=3 99 B4R0.2 CNCC#C ACS015721 [1,1,0,0,0,0|0,0,2]=4 100 B4R0.2 COCC#N ACS013800 [1,1,0,0,0,0|0,0,2]=4 101 B4R0.2 FCCCO ACF017205 [1,1,0,0,0,0|1,0,0]=3 102 B4R0.3 BrC(C)(C)C ACS015642 [1,1,0,0,0,0|0,0,0]=2 103 B4R0.3 Br[Si](C)(C)C ACS012303 [1,1,0,0,0,0|0,1,0]=3 104 B4R0.3 CC(C)(C)[O-] ACS012199 [1,1,0,0,0,0|0,0,0]=2 105 B4R0.3 C[N+](C)(C)C ACS015738 [1,1,0,0,0,0|1,0,0]=3 106 B4R0.3 ClC(C)(C)C ACS015655 [1,1,0,0,0,0|0,0,0]=2 107 B4R0.3 Cl[Si](C)(C)C ACS015657 [1,1,0,0,0,0|0,1,0]=3 108 B6R0.1 C(C)OC(CN)=O ACS015702 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.1 F[C@H](CN)COC ACF022189 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,2,0,0,0,0|0,0,0]=2 112 B6R0.4 C(C)(C)NCCN ACS011159 [0,2,0,0,0,0|0,0,0]=2 113 B6R0.5 C(C)(C)(C)N=C=O ACS012388 [0,2,0,0,0,0|1,0,1]=4 114 B6R0.5 CC(C)(C)CC=O ACS010443 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.8 BrC(CC)(CC)C ACS024476 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.8 OCC(C=O)(C)C ACS012227 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.9 C(C)[SiH](CC)CC ACS015746 [0,2,0,0,0,0|1,1,0]=4 118 B6R0.9 CCC(CC)NC ACS024014 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.9 COC(OC)OC ACS015750 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.7 BrC(C(=O)Br)(C)C ACS011903 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.7 CC(C(C)(C)C)=O ACS015733 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.7 CC(C(F)(F)F)N ACF024151 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.7 CC(C)(C)S(=O)N ACS010884 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(C)[S@](=O)N ACS010883 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.7 CC(C)S(=O)(=O)Cl ACS013334 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.7 C[C@@H](C(C)(C)C)N ACS017213 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.7 C[C@H](O)C(F)(F)F ACF022482 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.7 FC(C(C)O)(F)F ACF024141 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.7 FC(F)[Si](C)(C)C ACF023765 [0,2,0,0,0,0|1,1,0]=4 130 B6R0.7 NC(C(F)(F)F)C ACF024181 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.7 N[C@@H](C(F)(F)F)C ACF024203 [0,2,0,0,0,0|2,0,0]=4 132 B6R0.7 N[C@H](C(F)(F)F)C ACF024204 [0,2,0,0,0,0|2,0,0]=4 133 B4R1.1 C1CCC1 ACS015527 [1,0,0,1,0,0|1,0,0]=3 134 B4R1.2 BrC1CC1 ACS015608 [1,0,0,1,0,0|1,0,0]=3 135 B4R1.2 C1(CC1)O ACS020572 [1,0,0,1,0,0|1,0,0]=3 136 B4R1.2 CC1=CC1 ACS011913 [1,0,0,1,0,0|1,0,1]=4 137 B6R1.2 BrC1CCCC1 ACS015617 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.2 BrC1COCC1 ACS019129 [0,1,0,1,0,0|2,0,0]=4 139 B6R1.2 C1COC[C@@H]1O ACS010999 [0,1,0,1,0,0|2,0,0]=4 140 B6R1.2 CC1CCCO1 ACS011384 [0,1,0,1,0,0|1,0,0]=3 141 B6R1.2 F[C@@H]1CNCC1 ACF021035 [0,1,0,1,0,0|1,0,0]=3 142 B6R1.2 F[C@@H]1CNCC1 ACF021036 [0,1,0,1,0,0|1,0,0]=3 143 B6R1.2 F[C@H]1CNCC1 ACF021037 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.2 F[C@H]1CNCC1 ACF021038 [0,1,0,1,0,0|1,0,0]=3 145 B6R1.2 NC1NCCC1 ACS015261 [0,1,0,1,0,0|2,0,0]=4 146 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,1,0,1,0,0|2,0,0]=4 147 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,1,0,1,0,0|2,0,0]=4 148 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,1,0,1,0,0|2,0,0]=4 149 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.3 C1(CC1)CC#N ACS016977 [0,1,0,1,0,0|0,0,1]=3 151 B6R1.3 C1(CC1)CCO ACS016870 [0,1,0,1,0,0|1,0,0]=3 152 B6R1.3 ICCC1CC1 ACS016871 [0,1,0,1,0,0|1,0,0]=3 153 B6R1.5 CN1CC(C1)O ACS023900 [0,1,0,1,0,0|1,0,0]=3 154 B6R1.5 FC1CC(C1)=O ACF021232 [0,1,0,1,0,0|2,0,0]=4 155 B6R1.5 FC1CC(C1)N ACF021053 [0,1,0,1,0,0|1,0,0]=3 156 B6R1.5 FC1CC(C1)N ACF021054 [0,1,0,1,0,0|1,0,0]=3 157 B6R1.5 FC1CC(C1)O ACF021435 [0,1,0,1,0,0|2,0,0]=4 158 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022995 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022996 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.5 F[C@@H]1C[C@H](C1)O ACF023004 [0,1,0,1,0,0|2,0,0]=4 161 B6R1.5 F[C@H]1C[C@H](C1)N ACF022997 [0,1,0,1,0,0|1,0,0]=3 162 B6R1.5 F[C@H]1C[C@H](C1)N ACF022998 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.5 F[C@H]1C[C@H](C1)O ACF023003 [0,1,0,1,0,0|2,0,0]=4 164 B6R1.9 FC1(C(C1)O)F ACF021749 [0,1,0,1,0,0|2,0,0]=4 165 B6R1.10 FC1(CNC1)F ACF020992 [0,1,0,1,0,0|1,0,0]=3 166 B6R1.11 C1(CC1)B(O)O ACS010571 [0,1,0,1,0,0|2,0,0]=4 167 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [0,1,0,1,0,0|1,0,1]=4 168 B6R1.11 C1(CC1)C(=O)N ACS014088 [0,1,0,1,0,0|0,0,1]=3 169 B6R1.11 C1(CC1)C(N)=N ACS015578 [0,1,0,1,0,0|0,0,1]=3 170 B6R1.11 C1(CC1)C(N)=S ACS012201 [0,1,0,1,0,0|0,0,1]=3 171 B6R1.4 FC1C(CC1)N ACF023532 [0,1,0,1,0,0|1,0,0]=3 172 B6R1.4 FC1C(CC1)O ACF023529 [0,1,0,1,0,0|2,0,0]=4 173 B6R1.4 FC1C(NC1)C ACF022170 [0,1,0,1,0,0|1,0,0]=3 174 B6R1.6 C1(CCC1)CBr ACS012071 [0,1,0,1,0,0|1,0,0]=3 175 B6R1.6 C1(CCC1)CO ACS023762 [0,1,0,1,0,0|1,0,0]=3 176 B6R1.6 FCC1CNC1 ACF021868 [0,1,0,1,0,0|0,0,0]=2 177 B6R1.6 FCC1CNC1 ACF021869 [0,1,0,1,0,0|0,0,0]=2 178 B6R1.6 FCC1NCC1 ACF022253 [0,1,0,1,0,0|1,0,0]=3 179 B6R1.6 FC[C@@H]1NCC1 ACF022255 [0,1,0,1,0,0|1,0,0]=3 180 B6R1.6 FC[C@H]1NCC1 ACF022254 [0,1,0,1,0,0|1,0,0]=3 181 B6R1.7 BrC1(CC1)C#N ACS012401 [0,1,0,1,0,0|0,0,2]=4 182 B6R1.7 C(#C)C1(CC1)N ACS012191 [0,1,0,1,0,0|1,0,1]=4