0 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,0,0,0,0,0|1,1,0]=2 8 B6R0.3 CC(C(=O)O)NC PI-27549 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CC(C(=O)O)NC PI-27557 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 CC(CI)C(=C)I PI-44163 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CCC(C(=O)C)S PI-48501 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CCC(C(=O)N)N PI-10559 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CCC(C(=O)O)N PI-28320 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CCC(C(=O)O)N PI-43844 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 NC(C(=O)O)CN PI-10165 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.3 NC(C(=O)O)CN PI-35820 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 NC(CO)C(O)=O PI-35846 [0,0,0,0,0,0|0,1,0]=1 24 B6R0.3 NC(CS)C(=O)O PI-15748 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.3 NCC(C(=O)O)O PI-38395 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,0,0,0,0,0|0,0,0]=0 27 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,0,0,0,0,0|0,0,0]=0 28 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 O=C(O)C(C)CN PI-42145 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,0,0,0,0,0|0,1,0]=1 31 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,0,0,0,0,0|2,1,1]=4 32 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,0,0,0,0,0|2,1,1]=4 33 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,0,0,0,0,0|1,1,1]=3 34 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,1,0]=4 44 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|1,1,1]=4 45 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|0,0,0]=1 57 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|2,1,0]=4 59 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|0,1,0]=2 60 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,0,0,0,0|1,1,0]=3 64 B5R0.3 C(C(CCl)O)O PI-16668 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 C(C(CO)N)O PI-16192 [1,0,0,0,0,0|0,1,1]=3 66 B5R0.3 C(C(CO)O)N PI-10528 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 C=C[C@H](CO)N PI-48191 [1,0,0,0,0,0|1,1,0]=3 68 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 CCC(CO)N PI-45910 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.3 NCC(O)CO PI-12972 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.3 NC[C@H](O)CO PI-28266 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 N[C@H](CO)C=C PI-36414 [1,0,0,0,0,0|1,1,0]=3 73 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,0,0,0,0|1,1,0]=3 74 B5R0.3 OCC(CO)N PI-10243 [1,0,0,0,0,0|0,1,1]=3 75 B5R0.3 OCC(O)CO PI-12961 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.3 OC[C@H](O)CCl PI-16667 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,0,0,0,0,0|0,1,0]=2 80 B5R0.5 CC(=C)C(=O)C PI-41913 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.5 CC(C(=O)C)Br PI-35002 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.5 CC(C(=O)C)S PI-48502 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.5 CC(C(=O)N)C PI-28643 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.5 CC(C(=O)N)N PI-16292 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.5 CC(C(=O)N)N PI-42205 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.5 CC(C(=O)O)Br PI-47030 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.5 CC(C(=O)O)F PI-40363 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.5 CC(C(C)S)O PI-13701 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.5 CC(C(C)S)O PI-48503 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.5 CN(C)C(=O)N PI-50675 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.5 OC(=O)C(=O)C PI-15477 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,1,0,0,0,0|1,1,1]=4 116 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 COCC(C(=O)O)N PI-14934 [0,1,0,0,0,0|0,1,0]=2 120 B7R0.5 COCC(C(=O)O)N PI-14935 [0,1,0,0,0,0|0,1,0]=2 121 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,1,0,0,0,0|0,0,0]=1 122 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,1,0,0,0,0|0,1,0]=2 125 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,1,0,0,0,0|0,0,0]=1 126 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,1,0,0,0,0|0,0,0]=1 128 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,1,0,0,0,0|0,0,0]=1 130 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,1,0,0,0,0|0,1,0]=2 131 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,1,0,0,0,0|0,1,0]=2 132 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,1,0,0,0,0|1,1,0]=3 134 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,1,0,0,0,0|1,1,1]=4 141 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.10 COC(=O)C(CO)N PI-11634 [0,1,0,0,0,0|0,1,0]=2 145 B7R0.10 COC(=O)C(CO)O PI-42716 [0,1,0,0,0,0|1,1,0]=3 146 B7R0.10 COC(=O)C(CS)N PI-15751 [0,1,0,0,0,0|0,0,0]=1 147 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,1,0,0,0,0|0,1,0]=2 148 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,1,0,0,0,0|1,1,0]=3 150 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,1,0,0,0,0|1,1,1]=4 151 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,1,0,0,0,0|1,1,1]=4 152 B7R0.13 CC(C)(CCl)C(=O)Cl PI-20044 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.13 CC(C)(CCl)C(=O)O PI-47089 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.13 CC(C)(ON)C(O)=O PI-13417 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.13 CC(CS)(C(=O)O)N PI-35158 [0,1,0,0,0,0|0,0,0]=1 156 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.13 C[C@](N)(CS)C(=O)O PI-35159 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.13 OC[C@@](C(=O)O)(N)C PI-14964 [0,1,0,0,0,0|0,1,0]=2 165 B7R0.15 BrCC(CBr)C(=O)O PI-10928 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.15 CNC(CO)C(=O)O PI-43688 [0,1,0,0,0,0|0,1,0]=2 168 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,0,0|0,1,0]=2 170 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,0,0|0,1,0]=2 171 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,0,0|0,1,0]=2 172 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,0,0|0,1,0]=2 178 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,0,0|0,1,0]=2 179 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,1,0,0,0,0|1,1,0]=3 180 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,0,0,1,0,0|1,1,0]=3 185 B7R1.4 C1CNC(=O)C1N PI-48181 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.4 NC1CONC1=O PI-38463 [0,0,0,1,0,0|1,1,0]=3 191 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,0,0,1,0,0|1,0,0]=2 206 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.19 NC1(CC1)C(O)=O PI-17131 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.19 OC(=O)C1(F)CC1 PI-39666 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.19 OC(=O)C1(N)CC1 PI-17130 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.19 OC(=O)C1(O)CC1 PI-17158 [0,0,0,1,0,0|2,0,0]=3 212 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,0,0,0,0,1|0,1,0]=2 213 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,0,0,0,0,1|3,0,0]=4 214 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,0,0,0,0,1|2,0,0]=3 215 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,0,0,0,0,1|2,0,0]=3 216 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,0,0,0,0,1|0,1,0]=2 217 B4R0.1 C(C(=N)N)N PI-44870 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|1,0,1]=4 220 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.1 CC(CN)O PI-16659 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.1 CC(CO)O PI-16674 [2,0,0,0,0,0|1,0,1]=4 225 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.1 C[C@@H](CO)N PI-12236 [2,0,0,0,0,0|0,0,1]=3 229 B4R0.1 C[C@@H](N)CO PI-16472 [2,0,0,0,0,0|0,0,1]=3 230 B4R0.1 C[C@@H](O)CN PI-12234 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|1,0,1]=4 232 B4R0.1 NC[C@@H](N)C PI-39121 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.1 OC[C@H](O)C PI-16673 [2,0,0,0,0,0|1,0,1]=4 234 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,1]=4 236 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,1]=4 237 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|0,1,1]=4 238 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|0,0,1]=3 240 B6R0.1 C(CS)C(=O)NN PI-50543 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.1 CCCC(=O)NN PI-23070 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|1,1,0]=4 243 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.1 COC(=O)CCN PI-31148 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.1 O=C(OC)CCO PI-41038 [1,1,0,0,0,0|0,1,0]=3 246 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|0,1,0]=3 251 B6R0.2 CN(C)CC(=O)O PI-15416 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.4 C#CCCC(=O)O PI-30018 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,1,0,0,0,0|0,1,1]=4 257 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|0,0,0]=2 264 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|1,1,0]=4 269 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,1,0,0,0,0|0,1,1]=4 270 B6R0.5 C(CS(=O)(=O)O)N PI-31986 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.5 C(CS(=O)(=O)[O-])S PI-18298 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.7 C(=O)(C(F)(F)Br)O PI-21613 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.7 C(=O)(C(F)(F)Cl)O PI-15294 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.7 C(=O)(C(F)(F)F)O PI-14590 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.7 CC(C)(C(=O)N)N PI-42207 [1,1,0,0,0,0|1,0,0]=3 278 B6R0.7 CC(C)(C(=O)N)O PI-15708 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.7 CC(C)(C)C(=O)N PI-19885 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.7 CC(C)(N)C(O)=O PI-37329 [1,1,0,0,0,0|0,0,0]=2 282 B6R0.7 OC(=O)C(C)(C)O PI-11239 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.7 OC(=O)C(F)(F)C PI-39351 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,1,0,0,0,1|2,0,0]=4 286 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,1,0,0,0,1|2,0,0]=4 287 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,1,0,0,0,1|2,0,0]=4 288 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,1,0,0,0,1|2,0,0]=4 289 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,1,0,0,0,1|2,0,0]=4 290 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [0,1,0,0,0,1|1,0,0]=3 291 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [0,1,0,0,0,1|1,0,0]=3 292 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [0,1,0,0,0,1|1,0,0]=3 293 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [0,1,0,0,0,1|1,0,0]=3 294 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,0,0,0,1|2,0,0]=4 295 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,0,0,0,1|2,0,0]=4 296 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,0,0,0,1|2,0,0]=4 297 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,0,0,0,1|2,0,0]=4 298 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,1,0,0,0,1|0,1,0]=3 299 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,1,0,0,0,1|1,0,0]=3 300 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,1,0,0,0,1|0,1,1]=4 301 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|0,1,0]=3 304 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,2,0,0,0,0|0,0,0]=2 305 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|0,1,0]=3 306 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|0,1,0]=3 307 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,2,0,0,0,0|2,0,0]=4 312 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,2,0,0,0,0|0,0,0]=2 313 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,2,0,0,0,0|0,1,0]=3 314 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,2,0,0,0,0|0,1,0]=3 315 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [0,2,0,0,0,0|1,0,0]=3 317 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|2,0,0]=4 320 B8R0.13 CCC(C)(C(=O)OC)N PI-26074 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.13 CCC(C)(C(=O)OC)N PI-26172 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.20 COC(=O)C(CBr)CBr PI-10945 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.36 CCC(C(=O)O)(CC)Br PI-41039 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.36 CCC(CC)(C(=O)O)F PI-49457 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.36 CCC(CC)(C(=O)O)N PI-43225 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.36 CCC(CC)(C(=O)O)O PI-19503 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.37 C(C(C(=O)O)(F)F)(F)F PI-24606 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.37 CC(C)C(C)(N)C(N)=O PI-37241 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.37 CC(C)[C@@](C)(N)C(=O)O PI-26720 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.27 CC(C)(C(C(=O)O)N)F PI-26638 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.27 CC(C)(C(C(=O)O)N)O PI-30339 [0,2,0,0,0,0|0,1,0]=3 332 B8R0.27 CC(C)(C(C(=O)O)N)S PI-43189 [0,2,0,0,0,0|0,0,0]=2 333 B8R0.27 CC(C)(C)C(C(=O)O)N PI-26569 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.27 CC(C)(C)[C@H](N)C(N)=O PI-42204 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.27 NC(C(F)(F)F)C(=O)O PI-18261 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.27 NC(C(S)(C)C)C(=O)O PI-25641 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.27 N[C@H](C(C)(C)C)C(=O)O PI-27409 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.27 OC(=O)[C@@H](N)C(C)(C)C PI-25328 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.27 OC(=O)[C@H](C(O)(C)C)N PI-30338 [0,2,0,0,0,0|0,1,0]=3 340 B8R0.18 CC(C(C(=O)O)NC)O PI-43725 [0,2,0,0,0,0|0,1,0]=3 341 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.18 CCC(C(=O)O)C(=O)O PI-29740 [0,2,0,0,0,0|2,0,0]=4 343 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|2,0,0]=4 344 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,1,0]=4 347 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.6 C1C(CO1)C=O PI-48343 [1,0,0,1,0,0|1,1,0]=4 352 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.7 C1CC1(CO)N PI-36053 [1,0,0,1,0,0|1,0,1]=4 354 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,1|2,0,0]=4 355 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,1,0,1,0,0|0,0,0]=2 356 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.7 C1COCC1C(=O)O PI-42680 [0,1,0,1,0,0|1,1,0]=4 362 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,1,0,1,0,0|1,1,0]=4 372 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,1,0,1,0,0|1,1,0]=4 373 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.78 OC(=O)C1(C)COC1 PI-38279 [0,1,0,1,0,0|1,1,0]=4 378 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.11 C1C(C(=O)CS1)C#N PI-29183 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.39 COC(=O)C1(CC1)Br PI-42941 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.39 COC(=O)C1(CC1)N PI-44987 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.39 COC(=O)C1(O)CC1 PI-36871 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.77 C1C(C1(F)F)C(=O)O PI-43181 [0,1,0,1,0,0|2,0,0]=4 388 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,0,0,0,0,2|2,0,0]=4