0 B5R0.2 BrCCCC=C PI-39146 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 BrCCSCC PI-21417 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.2 C(C#CCO)O PI-44635 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C(C=CCCl)Cl PI-40200 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C(CBr)N=C=S PI-21421 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C(CC#N)CBr PI-41208 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 C(CCBr)CCl PI-15812 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 C(CCBr)CN PI-46910 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 C(CCCl)CO PI-15813 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 C(CCS)CS PI-11005 [0,0,0,0,0,0|2,1,0]=3 10 B5R0.2 C=COCCO PI-12735 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.2 CCCSSC PI-48493 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 CCNCCN PI-13215 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 CCO\C=C\C PI-12734 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.2 CCSCCN PI-22120 [0,0,0,0,0,0|1,1,0]=2 15 B5R0.2 CCSSCC PI-45874 [0,0,0,0,0,0|2,1,0]=3 16 B5R0.2 CNCCNC PI-39066 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 CNCCSC PI-35879 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 COCCC=O PI-45882 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 COCCCCl PI-38032 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 COCCCO PI-10094 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 CSCCC=O PI-45744 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.2 ClCC#CCCl PI-43937 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 ClCCCC#C PI-20198 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.2 ClCCCC#N PI-38313 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 ClCCN=C=O PI-22789 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 FCCCCBr PI-14440 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 NCCCCO PI-38298 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 OCCCC#C PI-13238 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.2 OCCCC=C PI-13243 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.2 OCCCCBr PI-12762 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.2 OC\C=C\CO PI-40910 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|1,1,0]=3 43 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 C=CCON PI-47075 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|0,0,2]=3 47 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|0,0,2]=3 48 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.2 CNCC#N PI-14282 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.1 CCOC(=O)C#C PI-35147 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCOC(=O)NC PI-50343 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 B(CCCC)(O)O PI-16470 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 CCC#CC(C)O PI-10903 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.4 CCNCC(=O)O PI-43211 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.4 CSCCC(=O)O PI-31992 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 NCCCC(=O)O PI-35917 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.6 BrCCCCC#N PI-22651 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 BrCCCCC=C PI-39147 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 BrCCOCCBr PI-13583 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.6 BrCC[NH2+]CCBr PI-37244 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.6 C#CCCCCO PI-40904 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.6 C(CCBr)CCBr PI-44626 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.6 C(CCN)CCN PI-46858 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 C(CCO)CCCl PI-44261 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.6 C(CCS)CCS PI-11006 [0,1,0,0,0,0|1,1,0]=3 103 B6R0.6 C(COCCN)N PI-47125 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.6 CC=CC=CCO PI-24146 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.6 CCCCCCN PI-46860 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.6 CCCCCNC PI-21907 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.6 CCCCN=C=S PI-22957 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.6 CCCOCCCl PI-47054 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.6 CCCSCCC PI-48482 [0,1,0,0,0,0|1,1,0]=3 110 B6R0.6 CCNCCC#N PI-19315 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.6 CCOC=CC#N PI-37795 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.6 CNCCCNC PI-32197 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.6 COCCCCBr PI-39605 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.6 COCCOCCl PI-12842 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.6 ClCCCCC#C PI-19028 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.6 ClCCCCC=O PI-34745 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.6 ClCCCCCBr PI-10753 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.6 ClCCNCCCl PI-37373 [0,1,0,0,0,0|2,0,0]=3 119 B6R1.1 C1CCSCS1 PI-25616 [0,0,0,1,0,0|2,1,0]=4 120 B6R1.1 C1CNCCS1 PI-15689 [0,0,0,1,0,0|1,1,0]=3 121 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,1,0,0|1,0,1]=3 122 B6R1.1 C1COCCN1 PI-42536 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.1 C1CSCCO1 PI-40740 [0,0,0,1,0,0|0,1,0]=2 124 B6R1.1 C1CSCCS1 PI-25617 [0,0,0,1,0,0|0,2,0]=3 125 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|1,0,0]=2 137 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|0,0,0]=1 139 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|0,1,2]=4 140 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|0,1,0]=2 141 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|1,1,0]=3 144 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|0,0,2]=3 155 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|1,0,1]=3 156 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|0,0,0]=1 157 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|0,0,0]=1 158 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|0,0,0]=1 161 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.3 COCC1CO1 PI-24540 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.3 COCC1CO1 PI-24541 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.6 BrCC1CCC1 PI-28204 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.6 NCC1CCC1 PI-42247 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.6 O=CC1CCC1 PI-36863 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|2,0,0]=3 173 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,1,0]=4 176 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 180 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 181 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|1,0,0]=3 182 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 184 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 188 B5R0.1 B(CCC)(O)O PI-35885 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.1 BrCCN(C)C PI-41040 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|0,0,0]=2 193 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|0,0,0]=2 194 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|0,0,2]=4 196 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|0,0,0]=2 198 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|0,0,0]=2 199 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.1 CCOC(=S)[S-] PI-47063 [1,1,0,0,0,0|0,1,1]=4 201 B5R0.1 CCO[Si](C)C PI-50089 [1,1,0,0,0,0|0,1,0]=3 202 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|0,1,1]=4 203 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.1 NC(CCC)=N PI-37197 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,0,0]=2 214 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.3 C(C(CBr)O)Br PI-47056 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.3 C(C(CCl)O)F PI-20093 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.3 C(C(CCl)O)O PI-16668 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.3 C(C(CO)N)O PI-16192 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.3 C(C(CO)O)N PI-10528 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|0,0,0]=2 224 B5R0.3 NCC(O)CO PI-12972 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 NC[C@H](O)CO PI-28266 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 OCC(=C)CO PI-24347 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 OCC(CO)N PI-10243 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.3 OCC(O)CO PI-12961 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.3 OC[C@H](O)CCl PI-16667 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|0,0,1]=3 234 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 NC(C)CC(C)CC PI-36995 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.3 CSCCC(C#N)O PI-49851 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.7 CC(CCBr)CCBr PI-25581 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.7 CCCC(=O)OCCl PI-36667 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.7 CCCC(CCC)N PI-15988 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.7 CCCC(S)CCO PI-37281 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.7 CCOC(=O)COC PI-50353 [0,2,0,0,0,0|0,0,1]=3 258 B7R0.7 CCOC(=O)CSC PI-39857 [0,2,0,0,0,0|0,1,1]=4 259 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.7 CN(CCN)CCN PI-47120 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.7 COCC(N)COC PI-36402 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|0,0,0]=2 265 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.4 BrCCCCC(=O)O PI-11341 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.4 CC(=O)CCCCCl PI-28023 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.4 CCCCCB(O)O PI-37261 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.4 CCCOCC(=O)O PI-32592 [0,2,0,0,0,0|0,0,1]=3 280 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.4 CN(C)CCCCN PI-23376 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|0,0,1]=3 283 B7R0.4 NCCCCC(=O)O PI-30804 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.4 OC(=O)CCCCN PI-40783 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|0,0,2]=4 286 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.6 CC(C)CCC(C)N PI-49380 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.6 CC(C)CCC(C)O PI-30803 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.8 C[Si](C)(C)CCCO PI-45066 [0,2,0,0,0,0|1,1,0]=4 292 B7R0.8 NCCSC(C)(C)C PI-23048 [0,2,0,0,0,0|1,1,0]=4 293 B7R0.8 OCCCC(F)(F)F PI-36762 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.1 BrCCCCCC#N PI-21504 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.1 C(CCCBr)CCO PI-39099 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.1 C(CCCCl)CCCl PI-44616 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.1 C(CCCS)CCO PI-40491 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.1 C(CCCS)CCS PI-35928 [0,2,0,0,0,0|1,1,0]=4 299 B7R0.1 C(C[Se][Se]CCN)N PI-21712 [0,2,0,0,0,0|1,1,0]=4 300 B7R0.1 CCCCCCCBr PI-44628 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.1 CCCCCN=C=O PI-11407 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.1 CCCCNCCN PI-15624 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.1 CCCSSCCC PI-48483 [0,2,0,0,0,0|1,1,0]=4 304 B7R0.1 COCCCCCBr PI-50168 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.1 OCCCCCCCl PI-37141 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.1 OCCCCCCN PI-40365 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.1 OCCCCOC=C PI-12738 [0,2,0,0,0,0|0,0,2]=4 308 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,2]=4 309 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,0]=3 310 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 311 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,0,0]=3 313 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,2]=4 314 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|0,0,2]=4 315 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,0,0]=3 316 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|0,0,0]=2 317 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,0]=3 318 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|1,0,1]=4 319 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|0,0,0]=2 320 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 322 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|1,0,0]=3 323 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|1,0,0]=3 324 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|1,0,0]=3 325 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|1,0,0]=3 326 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 327 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,2]=4 330 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|0,0,0]=2 331 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.1 C1CC(NC1)CN PI-35678 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.1 C1CCC(C1)ON PI-47243 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|1,0,0]=3 339 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|0,0,0]=2 341 B7R1.1 CCN1CCCC1 PI-47092 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.1 COC1OCCO1 PI-47112 [0,1,0,1,0,0|0,0,0]=2 343 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.1 NNC1CCCC1 PI-36366 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.1 NNC1CCCC1 PI-38997 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|0,0,1]=3 350 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.2 CN1CCC(O)C1 PI-33498 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|0,0,1]=3 358 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|0,0,1]=3 362 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,0,2]=4 365 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.3 C1CCN(CC1)N PI-34077 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.3 C1CCN(CC1)N PI-43331 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.3 C1COC(CN1)O PI-41771 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|0,0,1]=3 386 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.3 C1COCCC1I PI-45407 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.3 C1COCCN1N PI-33201 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|0,2,0]=4 399 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|0,0,1]=3 415 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|0,1,1]=4 416 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|0,0,2]=4 417 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|0,0,1]=3 418 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,1,0,0|0,0,0]=2 420 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,0,1]=3 425 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|0,1,0]=3 426 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|0,0,1]=3 427 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.6 NCCC1COC1 PI-36429 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.25 NCC1(O)CCC1 PI-36089 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.7 C=CCCC1CO1 PI-41845 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.14 CC1(NCCS1)C PI-11721 [0,1,0,1,0,0|1,1,0]=4 442 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.14 ClP1(=O)OCCO1 PI-37338 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.14 FC1(F)CNCC1 PI-21240 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.14 O=S1(=O)OCCO1 PI-36774 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.24 C1CNCCNC1 PI-37834 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.24 C1CNCCOC1 PI-29260 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.24 C1COCCNN1 PI-42054 [0,1,0,1,0,0|1,0,0]=3 454 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,2,0,0|1,0,0]=3 455 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,2,0,0|0,0,0]=2 456 B7R2.1 C1C(O1)C2CO2 PI-13815 [0,0,0,2,0,0|2,0,0]=4