0 B6R0.1 C(CBr)C(CO)O PI-40398 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C(CO)C(CO)O PI-28525 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C(CO)C(CO)O PI-28767 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C(CO)C(CO)O PI-44643 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CC(CC=O)SC PI-48524 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CC(CCN)CO PI-48961 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 CCCC(=O)NN PI-23070 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCCC(=O)SC PI-48512 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCCC(C=C)O PI-15324 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCCC(CC)Cl PI-46859 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCCC(CO)O PI-13556 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.1 CNCC(CO)O PI-34729 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 BrCCN(C)C PI-41040 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(CCO)N PI-34839 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(CCO)N PI-35494 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|0,0,3]=4 24 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|0,0,1]=2 27 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|0,0,1]=2 28 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C[C@H](CCO)N PI-35493 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.2 BrCCCC=C PI-39146 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 C(CC#N)CBr PI-41208 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C(CCBr)CCl PI-15812 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 C(CCBr)CN PI-46910 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 C(CCCl)CO PI-15813 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.2 C(CCS)CS PI-11005 [1,0,0,0,0,0|1,1,1]=4 51 B5R0.2 C=COCCO PI-12735 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.2 ClCCCC#C PI-20198 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 ClCCCC#N PI-38313 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 ClCCN=C=O PI-22789 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 FCCCCBr PI-14440 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 NCCCCO PI-38298 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.2 O=CCCC=O PI-14232 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.2 OCCCC#C PI-13238 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 OCCCC=C PI-13243 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.2 OCCCCBr PI-12762 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 C=C[C@H](CO)N PI-48191 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.3 CCC(CO)N PI-45910 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.3 N[C@H](CO)C=C PI-36414 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.2 CC(C)CC(CO)N PI-35868 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.3 CSCCC(C#N)O PI-49851 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.5 COCC(C(=O)O)N PI-14934 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 COCC(C(=O)O)N PI-14935 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.7 CC(CCBr)CCBr PI-25581 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.10 CCC(C(C)CO)S PI-48470 [0,1,0,0,0,0|0,0,2]=3 113 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.12 CCCC(CO)CO PI-44018 [0,1,0,0,0,0|0,0,2]=3 117 B7R1.1 C1CC(NC1)CN PI-35678 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 C1CC(OC1)CBr PI-30089 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 C1CCC(C1)CO PI-44131 [0,0,0,1,0,0|0,0,2]=3 120 B7R1.1 C1CCC(C1)ON PI-47243 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.1 C1CCN(C1)N=O PI-47048 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.1 C1CNCC1CO PI-40189 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.1 C1CNCC1CO PI-40190 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.1 C1COCC1CBr PI-42703 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 C1COCC1CCl PI-42702 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 C1COCC1CO PI-41224 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 ICC1COCC1 PI-42704 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 NNC1CCCC1 PI-36366 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.1 NNC1CCCC1 PI-38997 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 O=CC1=CCCC1 PI-39104 [0,0,0,1,0,0|0,0,2]=3 133 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 BrC1CCCOC1 PI-35181 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.3 C1CC(CNC1)Br PI-13262 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 C1CC(CNC1)F PI-48937 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 C1CC(CNC1)N PI-11065 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.3 C1CC(CNC1)N PI-27492 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 CC1CNCCN1 PI-31297 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 CC1CNCCN1 PI-33175 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 CC1SCCCS1 PI-25717 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 NC1CCCNC1 PI-13253 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 C1CNC(=O)C1N PI-48181 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.4 CC1C(CCO1)S PI-14229 [0,0,0,1,0,0|1,1,1]=4 177 B7R1.4 NC1CONC1=O PI-38463 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.6 NCCC1COC1 PI-36429 [0,0,0,1,0,0|1,0,2]=4 187 B7R1.6 OCCC1COC1 PI-36428 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.10 CN1CC(C1)C#N PI-44060 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.25 CC1(CNC1)C#N PI-48198 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.25 CC1(COC1)CO PI-24315 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.25 NCC1(O)CCC1 PI-36089 [0,0,0,1,0,0|2,0,1]=4 192 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 CC(C)CN PI-46903 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 CC(C)NC PI-41120 [2,0,0,0,0,0|1,0,1]=4 197 B4R0.1 CC(CN)O PI-16659 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 CC(CO)O PI-16674 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,1]=3 200 B4R0.1 C[C@@H](CO)N PI-12236 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 C[C@@H](N)CO PI-16472 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 C[C@@H](O)CN PI-12234 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.1 NC[C@@H](N)C PI-39121 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 NNC(C)C PI-37110 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 OC[C@H](O)C PI-16673 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.2 C(CF)CF PI-21236 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.2 C(CF)CI PI-41494 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.2 C(CN)CN PI-19035 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.2 C(CN)CN PI-46906 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,1,0]=4 211 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,1,0]=4 214 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.2 CC(C)NC(C)C PI-41089 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.2 CC(C)NC(C)C PI-45766 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 CC(CC(C)Br)Br PI-25295 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.3 CCC(=O)C(C)Br PI-47067 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.3 CCC(=O)C(C)C PI-39171 [1,1,0,0,0,0|0,0,2]=4 236 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|0,0,1]=3 237 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.3 CCC(C(C)Br)Br PI-25651 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.3 OC[C@H](C(C)C)N PI-16477 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.3 OC[C@H](N)C(C)C PI-14330 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.4 CCC#CC(C)O PI-10903 [1,1,0,0,0,0|0,0,2]=4 249 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|0,0,1]=3 251 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|0,0,1]=3 252 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|0,0,1]=3 259 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,1]=3 264 B6R0.5 CC(C)(CSC)N PI-50645 [1,1,0,0,0,0|1,0,1]=4 265 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [1,1,0,0,0,0|0,1,1]=4 267 B6R0.5 CCOC(C)(C)C PI-39331 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.5 CS(=O)(=O)CCBr PI-44875 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.5 NCC[S](=O)(=O)C PI-41234 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.5 OCCC(C)(C)C PI-38249 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.6 BrCCCCC#N PI-22651 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.6 BrCCCCC=C PI-39147 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.6 C#CCCCCO PI-40904 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.6 C(CCBr)CCBr PI-44626 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.6 C(CCN)CCN PI-46858 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.6 C(CCO)CCCl PI-44261 [1,1,0,0,0,0|0,0,2]=4 277 B6R0.6 C(CCS)CCS PI-11006 [1,1,0,0,0,0|0,1,1]=4 278 B6R0.6 CCCCCCN PI-46860 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.6 CCCCCNC PI-21907 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.6 CCCCN=C=S PI-22957 [1,1,0,0,0,0|0,1,1]=4 281 B6R0.6 CCCOCCCl PI-47054 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.6 CCCSCCC PI-48482 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.6 CCC\C=C\C=O PI-40157 [1,1,0,0,0,0|0,0,1]=3 284 B6R0.6 CCNCCC#N PI-19315 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.6 CNCCCNC PI-32197 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.6 COCCCCBr PI-39605 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.6 ClCCCCC#C PI-19028 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.6 ClCCCCC=O PI-34745 [1,1,0,0,0,0|0,0,0]=2 289 B6R0.6 ClCCCCCBr PI-10753 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.8 CC(N)(CC)C#C PI-36167 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.9 CCC(CC)CBr PI-47059 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.9 COC(C=C)OC PI-42093 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.9 OCC(CC)CO PI-41977 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-41202 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-44698 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.2 CC(C(C(C=O)O)O)O PI-40087 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.2 CC(C(C(C=O)O)O)O PI-40621 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|1,0,0]=3 305 B8R0.19 CCC(SC(CC)C)C PI-39261 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,2,0,0,0,0|1,0,1]=4 309 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,2,0,0,0,0|1,0,1]=4 310 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,2,0,0,0,0|2,0,0]=4 320 B8R0.34 CC(C)CC(C)(C#C)O PI-45937 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.1 CCOCC(C)OCC PI-44418 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.3 O[C@@H](CC=O)[C@H](O)CO PI-24472 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,2,0,0,0,0|1,0,0]=3 329 B8R0.6 CCCCCC(C=C)O PI-39433 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,2,0,0,0,0|1,0,0]=3 332 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,2,0,0,0,0|0,0,1]=3 340 B8R0.11 COC(CCCBr)OC PI-35017 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.11 COC(CCCCl)OC PI-28354 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.25 NCCCC(C)(C)CO PI-15874 [0,2,0,0,0,0|0,0,2]=4 343 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [0,2,0,0,0,0|0,0,2]=4 344 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,2,0,0,0,0|0,0,0]=2 345 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,2,0,0,0,0|0,0,0]=2 346 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|0,0,0]=2 347 B8R0.22 CCCN(CCC)N=O PI-47047 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.20 CCC(CC)C(CC)O PI-29298 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.31 CCCC(CC)(CC)O PI-29734 [0,2,0,0,0,0|1,0,1]=4 350 B6R1.2 C1CNCC1F PI-37496 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.2 C1CNCC1N PI-12334 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.2 C1CNCC1N PI-15467 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.2 C1CNCC1N PI-15468 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.2 C1CNCC1N PI-16581 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.2 C1CNCC1N PI-16582 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.2 C1CNCC1O PI-10126 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.2 C1CNCC1O PI-42733 [1,0,0,1,0,0|1,0,1]=4 358 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.2 C1COCC1N PI-42643 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.2 C1COCC1N PI-44061 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 C1COCC1O PI-42698 [1,0,0,1,0,0|1,0,1]=4 362 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,1]=4 363 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|1,0,1]=4 364 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|1,0,0]=3 366 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|0,1,0]=3 367 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|1,0,1]=4 370 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 IC1COCC1 PI-42701 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,1,0,0|2,0,0]=4 375 B6R1.2 NC1COCC1 PI-42705 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.2 OC1COCC1 PI-20870 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,1,0,0|1,0,1]=4 383 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.3 C1CC1CCI PI-48331 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.3 COCC1CO1 PI-24540 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.3 COCC1CO1 PI-24541 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.3 OCCC1CC1 PI-17339 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.5 OC1CN(C1)C PI-37502 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [1,0,0,1,0,0|1,1,0]=4 391 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|0,0,1]=3 394 B6R1.11 C[C@@H](C1CC1)N PI-48052 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.6 C1C(CO1)C=O PI-48343 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,1,0,0|0,0,2]=4 399 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,0,0]=2 401 B6R1.7 CC1(CO1)C=C PI-48078 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.7 SCC1(C)CC1 PI-37767 [1,0,0,1,0,0|0,1,1]=4 403 B8R1.1 C1C(C=CC1N)CO PI-35187 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,1,0,1,0,0|0,0,2]=4 406 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.4 CC1CC(CNC1)C PI-32523 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|0,0,0]=2 410 B8R1.4 CC1CCNC(C1)C PI-11063 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,0]=2 413 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.2 BrCC1CCCCC1 PI-33021 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.2 BrCC1CCCOC1 PI-39467 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.2 BrCC1CCNCC1 PI-36265 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.2 BrCC1CCOCC1 PI-14484 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.2 C#CC1CCOCC1 PI-45406 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,1,0,1,0,0|0,0,1]=3 425 B8R1.2 C(C1CCOCC1)O PI-40556 [0,1,0,1,0,0|0,0,2]=4 426 B8R1.2 C1CC(CNC1)CN PI-11064 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.2 C1CC(CNC1)CO PI-11066 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.2 C1CCC(CC1)CI PI-44086 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.2 C1CCC(CC1)NN PI-17833 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 C1CCC(CC1)NO PI-17940 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 C1CCC(CC1)ON PI-47245 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|0,0,0]=2 435 B8R1.2 C1CCNC(C1)CO PI-11061 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,1,0,0|0,0,0]=2 439 B8R1.2 C1CNCCC1CN PI-11070 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.2 C1CNCCC1CO PI-31327 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,1,0,1,0,0|0,0,2]=4 442 B8R1.2 CCC1CCCCN1 PI-11060 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.2 CNC1CCCNC1 PI-11067 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.2 CNC1CCNCC1 PI-43342 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.2 CNC1CCNCC1 PI-43343 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.2 CNC1CCOCC1 PI-38449 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.2 COC1CCCNC1 PI-36380 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.2 COC1CCCNC1 PI-43328 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.2 COC1CCNCC1 PI-39354 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.2 COC1CCNCC1 PI-39359 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.2 N#CC1CCNCC1 PI-25574 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.2 N#CC1CCOCC1 PI-39254 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.2 NCC1CCCCC1 PI-34207 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.2 NCC1CCCCN1 PI-11059 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.2 NCC1CCOCC1 PI-14113 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.2 NOC1CCCCO1 PI-31842 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|0,0,0]=2 458 B8R1.2 OCC1CCCCC1 PI-15325 [0,1,0,1,0,0|0,0,2]=4 459 B8R1.2 OCC1CCNCC1 PI-11073 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.3 CC1CCC(CC1)N PI-12652 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.3 CC1CCC(CC1)N PI-13103 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.3 CC1CCC(CC1)N PI-13124 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.3 CC1CNC(CN1)C PI-11053 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.5 CC1=NCCCN1C PI-44800 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.5 CC1=NCCCN1C PI-44822 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.5 CC1CCCCC1N PI-13571 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|0,0,0]=2 471 B8R1.5 CC1CNCCC1O PI-43324 [0,1,0,1,0,0|0,0,2]=4 472 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|0,0,1]=3 476 B8R1.50 CN1CCN(C1=O)C PI-11680 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.50 CN1CC[N+](=C1Cl)C PI-43380 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.50 CN1CC[N+](C)=C1Cl PI-43156 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.52 CCC1(CCCC1)O PI-37576 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.52 NCC1(O)CCCC1 PI-36161 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,1,0,1,0,0|0,0,2]=4 485 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.7 C1COCC1C(=O)O PI-42680 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,1,0,1,0,0|0,0,0]=2 492 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,1,0,1,0,0|0,0,0]=2 494 B8R1.7 ClP([CH-]1[CH2-][CH2-][CH2-][CH2-]1)Cl Cl.[Fe+2] [0,1,0,1,0,0|2,0,0]=4 495 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.7 OB(O)C1CCCC1 PI-20922 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,1,0,1,0,0|0,0,0]=2 500 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.78 OC(=O)C1(C)COC1 PI-38279 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,1,0,1,0,0|0,0,1]=3 513 B8R1.11 C1C(C(=O)CS1)C#N PI-29183 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.11 C1CC(C(=N)C1)C#N PI-48395 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,1,0,1,0,0|0,0,1]=3 516 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.11 CN1CCCC1CO PI-28906 [0,1,0,1,0,0|0,0,2]=4 518 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.72 C1CCNCC1(C)C PI-38949 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.72 CC1(CCCNC1)O PI-43320 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.72 CC1(CCCNC1)O PI-43321 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,1,0,1,0,0|1,0,1]=4 523 B8R2.42 C1CC2(C1)CCN2 PI-41944 [0,0,0,2,0,0|2,0,0]=4 524 B8R2.42 C1CC2(C1)CNC2 PI-48207 [0,0,0,2,0,0|1,0,1]=4