0 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CC(C(=O)OC)N PI-31127 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CCC(=O)C(C)C PI-39171 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CN(C)C(=S)NN PI-47069 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 COC(=O)C(=C)F PI-39526 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 COC(=O)C(N)C PI-10065 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 NCC(=O)N(C)C PI-34626 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 C(C(=O)NN)O PI-50333 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 C(C(=O)NN)S PI-50542 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 CCC(=O)CBr PI-20588 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.3 CCC(=O)NN PI-50290 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CNC(=O)CCl PI-39443 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 COC(=O)C#C PI-35828 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.5 CC(=C)C(=O)C PI-41913 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.5 CC(C(=O)C)Br PI-35002 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.5 CC(C(=O)C)S PI-48502 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.5 CC(C(=O)N)C PI-28643 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.5 CC(C(=O)N)N PI-16292 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.5 CC(C(=O)N)N PI-42205 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 CC(C(=O)O)Br PI-47030 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.5 CC(C(=O)O)F PI-40363 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 CC(C(C)S)O PI-13701 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.5 CC(C(C)S)O PI-48503 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.5 CC(C(C)S)S PI-48471 [1,0,0,0,0,0|1,1,1]=4 55 B5R0.5 CN(C)C(=O)N PI-50675 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.5 OC(=O)C(=O)C PI-15477 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.10 CCC(C(C)CO)S PI-48470 [0,1,0,0,0,0|1,1,1]=4 79 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.10 COC(=O)C(CO)N PI-11634 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.10 COC(=O)C(CO)O PI-42716 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.10 COC(=O)C(CS)N PI-15751 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,1,0,0,0,0|0,0,0]=1 96 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.13 CC(S(=O)(CC)=O)C PI-41041 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.14 CC(C)(C(=O)NN)O PI-50406 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.14 CC(C)(C)C(=O)NN PI-50291 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.14 CCC(=O)C(F)(F)F PI-40184 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.14 CNC(=O)C(F)(F)F PI-30945 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.14 COC(=N)C(Cl)(Cl)Cl PI-30380 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.15 COC(OC)C(C)Br PI-39528 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.15 COC(OC)N(C)C PI-12167 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.16 CN(C)C(=S)N(C)C PI-15785 [0,1,0,0,0,0|2,1,0]=4 113 B7R0.16 CN(C)C(=[N+](C)C)Cl PI-43907 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.16 CN(C)C(=[N+](C)C)F PI-43542 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 C1CNC(=O)C1N PI-48181 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|0,0,2]=3 123 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,1,0,0|0,0,2]=3 124 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 CC1C(CCO1)S PI-14229 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.4 NC1CONC1=O PI-38463 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.22 C1CC1C(=O)NN PI-17834 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.22 COC(=O)C1CC1 PI-32774 [0,0,0,1,0,0|0,0,0]=1 132 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,0,0,1,0,0|1,0,0]=2 133 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,0,0,0,0,1|0,0,1]=2 134 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,0,0,0,0,1|1,0,1]=3 135 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,0,0,0,0,1|2,0,0]=3 136 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,0,0,0,0,1|2,0,0]=3 137 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,0,0,0,0,1|1,0,0]=2 138 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,0,0,0,0,1|1,0,0]=2 139 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,0,0,0,0,1|1,0,0]=2 140 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,0,0,0,0,1|1,0,0]=2 141 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,0,0,0,0,1|3,0,0]=4 142 B7R0.2 COC(=O)CC(C)N PI-42155 [0,0,0,0,0,1|1,0,0]=2 143 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [0,0,0,0,0,1|3,0,0]=4 144 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,0,0,0,0,1|1,0,0]=2 145 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,0,0,0,0,1|1,0,0]=2 146 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,0,0,0,0,1|2,0,0]=3 147 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,0,0,0,0,1|2,0,1]=4 148 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 155 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CC(C)CN PI-46903 [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 CC(C)NC PI-41120 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 CC(CO)O PI-16674 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,2]=4 163 B4R0.1 CNN(C)C PI-40655 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 COC(=N)N PI-30686 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 C[C@@H](CO)N PI-12236 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@@H](N)CO PI-16472 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 NNC(C)C PI-37110 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 OC[C@H](O)C PI-16673 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.2 CC(C)NC(C)C PI-41089 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.2 CC(C)NC(C)C PI-45766 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.5 CC(C)(CSC)N PI-50645 [1,1,0,0,0,0|0,1,1]=4 176 B6R0.5 CCOC(C)(C)C PI-39331 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.8 CCS(=O)(=O)CC PI-30756 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.7 C(=O)(C(F)(F)Br)O PI-21613 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.7 C(=O)(C(F)(F)Cl)O PI-15294 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.7 C(=O)(C(F)(F)F)O PI-14590 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.7 CC(=O)C(F)(F)F PI-40209 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.7 CC(C)(C(=O)N)N PI-42207 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.7 CC(C)(C(=O)N)O PI-15708 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.7 CC(C)(C)C(=O)N PI-19885 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.7 CC(C)(N)C(O)=O PI-37329 [1,1,0,0,0,0|0,0,0]=2 189 B6R0.7 CC(S(=O)N)(C)C PI-38771 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.7 CC([S@@](=O)N)(C)C PI-12385 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.7 C[C@@H](C(C)(C)C)O PI-49836 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.7 C[SiH](C(C)(C)C)C PI-38471 [1,1,0,0,0,0|1,1,0]=4 194 B6R0.7 OC(=O)C(C)(C)O PI-11239 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.7 OC(=O)C(F)(F)C PI-39351 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [1,1,0,0,0,0|0,0,1]=3 197 B8R0.2 CC(C(C(=O)OC)N)O PI-14289 [0,1,0,0,0,1|1,0,0]=3 198 B8R0.2 CC(C(C(=O)OC)N)O PI-27802 [0,1,0,0,0,1|1,0,0]=3 199 B8R0.2 CC(C(C(=O)OC)N)O PI-42156 [0,1,0,0,0,1|1,0,0]=3 200 B8R0.2 CC(C(C(=O)OC)N)O PI-42158 [0,1,0,0,0,1|1,0,0]=3 201 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,1,0,0,0,1|0,0,0]=2 202 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,1,0,0,0,1|0,0,0]=2 203 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,1,0,0,0,1|1,0,0]=3 204 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,1,0,0,0,1|0,0,0]=2 205 B8R0.2 C[C@@H](O)[C@H](N)C(OC)=O PI-27495 [0,1,0,0,0,1|1,0,0]=3 206 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,1,0,0,0,1|1,0,0]=3 207 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,1,0,0,0,1|1,0,1]=4 208 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,1,0,0,0,1|1,0,1]=4 209 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,1,0,0,0,1|1,0,0]=3 210 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,1,0,0,0,1|1,0,0]=3 211 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,1,0,0,0,1|1,0,0]=3 212 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,1,0,0,0,1|1,0,1]=4 213 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,1,0,0,0,1|0,0,0]=2 215 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,1,0,0,0,1|0,0,1]=3 216 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,1,0,0,0,1|1,0,1]=4 217 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,0,0,0,1|1,0,0]=3 219 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,1,0,0,0,1|1,0,1]=4 220 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,0,0,0,1|1,0,0]=3 221 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,0,0,0,1|1,0,0]=3 222 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.24 CC(C)(C)OC(=O)C#C PI-35847 [0,1,0,0,0,1|1,0,1]=4 227 B8R0.24 CC(C)(C)OC(=O)CN PI-31136 [0,1,0,0,0,1|2,0,0]=4 228 B8R0.24 CC(C)(C)OC(=O)CS PI-48134 [0,1,0,0,0,1|2,0,0]=4 229 B8R0.24 CCC(=O)OC(C)(C)C PI-47052 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.24 NCC(=O)OC(C)(C)C PI-37610 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.24 NNC(=O)OC(C)(C)C PI-28875 [0,1,0,0,0,1|2,0,0]=4 232 B8R0.24 ONC(=O)OC(C)(C)C PI-30529 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.14 CC(C)(C)C(=O)CC#N PI-15415 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.14 CCOC(=O)C(Br)(Br)F PI-13395 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.14 CCOC(=O)C(Br)(F)F PI-12726 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.14 CCOC(=O)C(C)(C)Br PI-45894 [0,2,0,0,0,0|0,0,0]=2 248 B8R0.14 CCOC(=O)C(C)(C)O PI-39682 [0,2,0,0,0,0|0,0,0]=2 249 B8R0.14 CCOC(=O)C(C)(F)F PI-42687 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.14 CCOC(=O)C(F)(Cl)Cl PI-19520 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.14 CCOC(=O)C(F)(F)Cl PI-24381 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.14 CCOC(=O)C(F)(F)F PI-15293 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.14 ICOC(=O)C(C)(C)C PI-35168 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.13 CCC(C)(C(=O)OC)N PI-26074 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.13 CCC(C)(C(=O)OC)N PI-26172 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.20 CCC(=O)N(CC)CC PI-47055 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.20 COC(=O)C(CBr)CBr PI-10945 [0,2,0,0,0,0|0,0,0]=2 258 B8R0.17 CC(C)(C)[Si](C)(C)OC PI-45115 [0,2,0,0,0,0|1,1,0]=4 259 B8R0.27 CC(C)(C)C(=O)C(Cl)Cl PI-44623 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.18 CC(C)C(C(=O)O)NC PI-35774 [0,2,0,0,0,0|1,0,1]=4 261 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,1,0,0|1,0,1]=4 262 B6R1.2 C1COCC1N PI-42643 [1,0,0,1,0,0|1,0,1]=4 263 B6R1.2 C1COCC1N PI-44061 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.2 C1COCC1O PI-42698 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 IC1COCC1 PI-42701 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 NC1COCC1 PI-42705 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 OC1COCC1 PI-20870 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.3 COCC1CO1 PI-24540 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.3 COCC1CO1 PI-24541 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,1|1,0,0]=3 279 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,1|1,0,0]=3 280 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,1|2,0,0]=4 281 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,1,0,1|2,0,0]=4 282 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,1|2,0,0]=4 283 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,0,0,1,0,1|2,0,0]=4 284 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,0,0,1,0,1|2,0,0]=4 285 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,0,0,1,0,1|0,0,0]=2 286 B8R1.51 CC1=NC(CO1)(C)C PI-46988 [0,0,0,1,0,1|1,0,0]=3 287 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.37 N#CCC(C1CC1)=O PI-37029 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,1,0,1,0,0|0,0,0]=2 296 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,1,0,1,0,0|0,0,0]=2 297 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,1,0,1,0,0|0,0,0]=2 298 B8R1.39 C1CC1(C(=O)CCl)Cl PI-44527 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.39 CC1(CC1)C(=O)NN PI-50409 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.39 COC(=O)C1(CC1)Br PI-42941 [0,1,0,1,0,0|0,0,0]=2 301 B8R1.39 COC(=O)C1(CC1)N PI-44987 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.39 COC(=O)C1(O)CC1 PI-36871 [0,1,0,1,0,0|0,0,0]=2 303 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.50 CN1CCN(C1=O)C PI-11680 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|2,0,0]=4