0 B4R0.2 C#CCCCl PI-38919 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCCN PI-40906 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C#CCCO PI-16501 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.2 C(CF)CF PI-21236 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 C(CF)CI PI-41494 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 C(CN)CN PI-19035 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 C(CN)CN PI-46906 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 C(CN)CS PI-39174 [0,0,0,0,0,0|1,1,0]=2 8 B4R0.2 C(CO)CBr PI-15814 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.2 C(CO)CI PI-50488 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.2 C(CS)CS PI-11004 [0,0,0,0,0,0|1,1,0]=2 11 B4R0.2 C=CCCBr PI-20589 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.2 C=CCON PI-47075 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.2 CC#CCBr PI-20598 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.2 CC#CCO PI-15652 [0,0,0,0,0,0|0,0,2]=2 15 B4R0.2 CC=CCO PI-41583 [0,0,0,0,0,0|0,0,2]=2 16 B4R0.2 CCCCCl PI-44613 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.2 CCCNC PI-39187 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 CCOC=C PI-12733 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 CNCC#N PI-14282 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 CNCC=C PI-41121 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 COCCBr PI-21426 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 ClCCNC PI-41980 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 NCCC#C PI-36764 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.2 OCCCS PI-39546 [0,0,0,0,0,0|1,0,0]=1 25 B3R0.1 BrCC#N PI-20513 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 C(CBr)Cl PI-44621 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 C(CF)F PI-21164 [1,0,0,0,0,0|2,0,0]=3 28 B3R0.1 C(CS)N PI-39848 [1,0,0,0,0,0|1,1,0]=3 29 B3R0.1 C(F)CN PI-41615 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 CCC=O PI-28552 [1,0,0,0,0,0|0,0,2]=3 31 B3R0.1 CCCN PI-46904 [1,0,0,0,0,0|1,0,0]=2 32 B3R0.1 CCCN PI-46913 [1,0,0,0,0,0|1,0,0]=2 33 B3R0.1 CNCC PI-40147 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 COCBr PI-22152 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 CONC PI-16632 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 C\C=N\O PI-37002 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 NCC#C PI-38458 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.1 NCC#N PI-38793 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 NCCN PI-38127 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 NCCN PI-38389 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 OCCBr PI-37291 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 [CH2-]CCC PI-37346 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.1 B(CCC)(O)O PI-35885 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 BrCC=C(C)C PI-12725 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.1 BrCCN(C)C PI-41040 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,1,0,0,0,0|1,0,2]=4 47 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.1 CC#CC(=O)O PI-12861 [0,1,0,0,0,0|0,0,3]=4 49 B5R0.1 CC(=C)CCBr PI-40493 [0,1,0,0,0,0|1,0,1]=3 50 B5R0.1 CC(=O)NCO PI-29791 [0,1,0,0,0,0|1,0,1]=3 51 B5R0.1 CC(CCO)N PI-34839 [0,1,0,0,0,0|0,0,0]=1 52 B5R0.1 CC(CCO)N PI-35494 [0,1,0,0,0,0|0,0,0]=1 53 B5R0.1 CC(CCO)O PI-15618 [0,1,0,0,0,0|0,0,0]=1 54 B5R0.1 CCCC(=O)N PI-32787 [0,1,0,0,0,0|0,0,2]=3 55 B5R0.1 CCCC(C)N PI-36925 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.1 CCCC(C)O PI-42533 [0,1,0,0,0,0|0,0,0]=1 57 B5R0.1 CCC[C@@H](O)C PI-42532 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.1 CCOC(=O)C PI-13192 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.1 CCOC(=S)[S-] PI-47063 [0,1,0,0,0,0|1,1,1]=4 60 B5R0.1 CCO[Si](C)C PI-50089 [0,1,0,0,0,0|2,1,0]=4 61 B5R0.1 CCSC(=O)C PI-48509 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 CCSC(=O)Cl PI-38596 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 CNCC(=O)O PI-45053 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 COCC(O)C PI-12912 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.1 CSCC(=O)N PI-36555 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 C[C@H](CCO)N PI-35493 [0,1,0,0,0,0|0,0,0]=1 68 B5R0.1 C\C=C\C(=O)O PI-48966 [0,1,0,0,0,0|0,0,3]=4 69 B5R0.1 NC(CCC)=N PI-37197 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.1 NCCC(=O)O PI-14317 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.1 O=C(O)CCS PI-40342 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 O=C=NC(C)C PI-11403 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 O=S(CSC)C PI-39632 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 OC(CON)=O PI-37190 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 OCCC(=C)Br PI-34814 [0,1,0,0,0,0|0,0,2]=3 76 B5R0.1 OCCC(=O)O PI-20855 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.1 OCC[C@H](O)C PI-15617 [0,1,0,0,0,0|0,0,0]=1 78 B5R0.2 BrCCCC=C PI-39146 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.2 BrCCSCC PI-21417 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.2 C(C#CCO)O PI-44635 [0,1,0,0,0,0|0,0,2]=3 81 B5R0.2 C(C=CCCl)Cl PI-40200 [0,1,0,0,0,0|1,0,2]=4 82 B5R0.2 C(CBr)N=C=S PI-21421 [0,1,0,0,0,0|1,1,1]=4 83 B5R0.2 C(CC#N)CBr PI-41208 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.2 C(CCBr)CCl PI-15812 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.2 C(CCBr)CN PI-46910 [0,1,0,0,0,0|1,0,0]=2 86 B5R0.2 C(CCCl)CO PI-15813 [0,1,0,0,0,0|0,0,0]=1 87 B5R0.2 C(CCS)CS PI-11005 [0,1,0,0,0,0|0,1,0]=2 88 B5R0.2 C(CNN)C#N PI-50323 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.2 C=COCCO PI-12735 [0,1,0,0,0,0|0,0,2]=3 90 B5R0.2 CCCSSC PI-48493 [0,1,0,0,0,0|1,1,0]=3 91 B5R0.2 CCNCCN PI-13215 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.2 CCO\C=C\C PI-12734 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.2 CCSCCN PI-22120 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.2 CCSSCC PI-45874 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.2 CNCCNC PI-39066 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.2 CNCCSC PI-35879 [0,1,0,0,0,0|1,1,0]=3 97 B5R0.2 COCCC=O PI-45882 [0,1,0,0,0,0|0,0,2]=3 98 B5R0.2 COCCCCl PI-38032 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.2 COCCCO PI-10094 [0,1,0,0,0,0|0,0,0]=1 100 B5R0.2 CSCCC=O PI-45744 [0,1,0,0,0,0|0,0,2]=3 101 B5R0.2 ClCC#CCCl PI-43937 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.2 ClCCCC#C PI-20198 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.2 ClCCCC#N PI-38313 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.2 ClCCN=C=O PI-22789 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.2 FCCCCBr PI-14440 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.2 NCCCCO PI-38298 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.2 O=CCCC=O PI-14232 [0,1,0,0,0,0|0,0,3]=4 108 B5R0.2 OCCCC#C PI-13238 [0,1,0,0,0,0|0,0,1]=2 109 B5R0.2 OCCCC=C PI-13243 [0,1,0,0,0,0|0,0,1]=2 110 B5R0.2 OCCCCBr PI-12762 [0,1,0,0,0,0|0,0,0]=1 111 B5R0.2 OC\C=C\CO PI-40910 [0,1,0,0,0,0|0,0,2]=3 112 B5R0.3 C(C(=O)NN)O PI-50333 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.3 C(C(C=O)O)O PI-14881 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.3 C(C(CBr)O)Br PI-47056 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.3 C(C(CCl)O)F PI-20093 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.3 C(C(CCl)O)O PI-16668 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.3 C(C(CO)N)O PI-16192 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.3 C(C(CO)O)N PI-10528 [0,1,0,0,0,0|1,0,0]=2 119 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.3 C=C[C@H](CO)N PI-48191 [0,1,0,0,0,0|0,0,2]=3 121 B5R0.3 CCC(=C)C=O PI-44654 [0,1,0,0,0,0|0,0,3]=4 122 B5R0.3 CCC(=O)CBr PI-20588 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.3 CCC(=O)NN PI-50290 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.3 CCC(CO)N PI-45910 [0,1,0,0,0,0|0,0,0]=1 125 B5R0.3 CNC(=O)CCl PI-39443 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.3 ClCC(=C)CCl PI-41237 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.3 NCC(O)CO PI-12972 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.3 NC[C@H](O)CO PI-28266 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 N[C@H](CO)C=C PI-36414 [0,1,0,0,0,0|0,0,2]=3 130 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.3 OCC(=C)CO PI-24347 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.3 OCC(CO)N PI-10243 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.3 OCC(O)CO PI-12961 [0,1,0,0,0,0|1,0,0]=2 134 B5R0.3 OC[C@H](O)CCl PI-16667 [0,1,0,0,0,0|1,0,0]=2 135 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,1,0,0|1,0,2]=4 136 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,1,0,0|1,0,2]=4 137 B5R1.1 C1COC=C1 PI-45414 [0,0,0,1,0,0|0,0,2]=3 138 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,1,0,0|1,0,0]=2 139 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,1,0,0|1,0,2]=4 140 B5R1.2 FC1CNC1 PI-36097 [0,0,0,1,0,0|2,0,0]=3 141 B5R1.2 NC1CCC1 PI-15786 [0,0,0,1,0,0|1,0,0]=2 142 B5R1.2 NC1COC1 PI-41949 [0,0,0,1,0,0|2,0,0]=3 143 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,1,0,0|0,0,2]=3 144 B5R1.2 O=C1COC1 PI-38969 [0,0,0,1,0,0|1,0,2]=4 145 B5R1.2 OC1CNC1 PI-20728 [0,0,0,1,0,0|1,0,0]=2 146 B5R1.2 OC1COC1 PI-38454 [0,0,0,1,0,0|1,0,0]=2 147 B5R1.3 BrCC1CC1 PI-12057 [0,0,0,1,0,0|1,0,0]=2 148 B5R1.3 C#CC1CC1 PI-12107 [0,0,0,1,0,0|1,0,1]=3 149 B5R1.3 C1C(O1)CO PI-10360 [0,0,0,1,0,0|1,0,0]=2 150 B5R1.3 C1CC1CN PI-17835 [0,0,0,1,0,0|1,0,0]=2 151 B5R1.3 C1CC1NN PI-45737 [0,0,0,1,0,0|2,0,0]=3 152 B5R1.3 ClCC1OC1 PI-37744 [0,0,0,1,0,0|1,0,0]=2 153 B5R1.3 ClC[C@@H]1CO1 PI-16630 [0,0,0,1,0,0|1,0,0]=2 154 B5R1.3 ClC[C@H]1CO1 PI-16629 [0,0,0,1,0,0|1,0,0]=2 155 B5R1.3 FCC1CO1 PI-22023 [0,0,0,1,0,0|1,0,0]=2 156 B5R1.3 N#CC1CC1 PI-31230 [0,0,0,1,0,0|1,0,1]=3 157 B5R1.3 NCC1CC1 PI-12825 [0,0,0,1,0,0|1,0,0]=2 158 B5R1.3 NNC1CC1 PI-38386 [0,0,0,1,0,0|2,0,0]=3 159 B5R1.3 O=CC1CC1 PI-39221 [0,0,0,1,0,0|0,0,2]=3 160 B5R1.3 OC[C@H]1CO1 PI-10359 [0,0,0,1,0,0|1,0,0]=2 161 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [0,0,0,1,0,0|2,0,0]=3 162 B2R0.1 C(F)I PI-46452 [2,0,0,0,0,0|2,0,0]=4 163 B2R0.1 CNO PI-24407 [2,0,0,0,0,0|1,0,0]=3 164 B2R0.1 CON PI-12344 [2,0,0,0,0,0|2,0,0]=4 165 B2R0.1 CSC PI-50002 [2,0,0,0,0,0|1,0,0]=3 166 B2R0.1 ON=O PI-38467 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 C(C(F)F)N PI-48941 [1,1,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(=C)CBr PI-46510 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 CC(=O)CBr PI-38994 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 CC(C#C)O PI-44141 [1,1,0,0,0,0|0,0,2]=4 171 B4R0.1 CC(C)CN PI-46903 [1,1,0,0,0,0|1,0,0]=3 172 B4R0.1 CC(C)NC PI-41120 [1,1,0,0,0,0|1,0,0]=3 173 B4R0.1 CC(CN)O PI-16659 [1,1,0,0,0,0|1,0,0]=3 174 B4R0.1 CC(CO)O PI-16674 [1,1,0,0,0,0|0,0,0]=2 175 B4R0.1 CC(O)=NO PI-10772 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.1 CC(O)C#C PI-43256 [1,1,0,0,0,0|0,0,2]=4 177 B4R0.1 CCB(O)O PI-25578 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 CCC(=N)N PI-35437 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.1 CCC(C)O PI-15619 [1,1,0,0,0,0|0,0,0]=2 180 B4R0.1 CNN(C)C PI-40655 [1,1,0,0,0,0|2,0,0]=4 181 B4R0.1 C[C@@H](CO)N PI-12236 [1,1,0,0,0,0|0,0,0]=2 182 B4R0.1 C[C@@H](N)CO PI-16472 [1,1,0,0,0,0|0,0,0]=2 183 B4R0.1 C[C@@H](O)CN PI-12234 [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 NC[C@@H](N)C PI-39121 [1,1,0,0,0,0|1,0,0]=3 185 B4R0.1 NNC(C)C PI-37110 [1,1,0,0,0,0|2,0,0]=4 186 B4R0.1 OCC(F)F PI-21165 [1,1,0,0,0,0|1,0,0]=3 187 B4R0.1 OC[C@H](O)C PI-16673 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.1 C(CBr)C(CO)O PI-40398 [0,2,0,0,0,0|0,0,0]=2 191 B6R0.1 C(CO)C(CO)O PI-28525 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.1 C(CO)C(CO)O PI-28767 [0,2,0,0,0,0|0,0,0]=2 193 B6R0.1 C(CO)C(CO)O PI-44643 [0,2,0,0,0,0|0,0,0]=2 194 B6R0.1 CC(CC=O)SC PI-48524 [0,2,0,0,0,0|0,0,2]=4 195 B6R0.1 CC(CCN)CO PI-48961 [0,2,0,0,0,0|0,0,0]=2 196 B6R0.1 CCC(C)N=C=S PI-22956 [0,2,0,0,0,0|0,1,1]=4 197 B6R0.1 CCCC(=O)NN PI-23070 [0,2,0,0,0,0|0,0,2]=4 198 B6R0.1 CCCC(=O)SC PI-48512 [0,2,0,0,0,0|0,0,2]=4 199 B6R0.1 CCCC(C=C)O PI-15324 [0,2,0,0,0,0|0,0,0]=2 200 B6R0.1 CCCC(CC)Cl PI-46859 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.1 CCCC(CO)O PI-13556 [0,2,0,0,0,0|0,0,0]=2 202 B6R0.1 CCOC(=O)CBr PI-15815 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.1 CNCC(=O)OC PI-45586 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.1 CNCC(CO)O PI-34729 [0,2,0,0,0,0|0,0,0]=2 205 B6R0.1 COC(=O)CCN PI-31148 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.1 COCC(=N)NO PI-36392 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,2,0,0,0,0|0,0,0]=2 208 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.1 O=C(OC)CCO PI-41038 [0,2,0,0,0,0|0,0,1]=3 210 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(C)CB(O)O PI-37377 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,2,0,0,0,0|0,0,2]=4 213 B6R0.2 CC(C)NC(C)C PI-41089 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.2 CC(C)NC(C)C PI-45766 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.2 CC(CC(=O)O)N PI-35438 [0,2,0,0,0,0|0,0,1]=3 216 B6R0.2 CC(CC(=O)O)N PI-35481 [0,2,0,0,0,0|0,0,1]=3 217 B6R0.2 CC(CC(=O)O)N PI-43821 [0,2,0,0,0,0|0,0,1]=3 218 B6R0.2 CC(CC(=O)O)O PI-47070 [0,2,0,0,0,0|0,0,1]=3 219 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.2 CN(C)CC(=O)O PI-15416 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,2,0,0,0,0|0,0,1]=3 222 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,2,0,0,0,0|0,0,1]=3 223 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.3 CC(C(=O)O)NC PI-27549 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.3 CC(C(=O)O)NC PI-27557 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.3 CCC(=O)C(C)C PI-39171 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.3 CCC(C(=O)C)S PI-48501 [0,2,0,0,0,0|0,0,2]=4 236 B6R0.3 CCC(C(=O)N)N PI-10559 [0,2,0,0,0,0|0,0,2]=4 237 B6R0.3 CCC(C(=O)O)N PI-28320 [0,2,0,0,0,0|0,0,1]=3 238 B6R0.3 CCC(C(=O)O)N PI-43844 [0,2,0,0,0,0|0,0,1]=3 239 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,2,0,0,0,0|0,0,2]=4 241 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,2,0,0,0,0|0,0,1]=3 242 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,2,0,0,0,0|0,0,1]=3 243 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.3 NC(C(=O)O)CN PI-10165 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.3 NC(C(=O)O)CN PI-35820 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.3 NC(CO)C(O)=O PI-35846 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.3 NC(CS)C(=O)O PI-15748 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.3 NCC(C(=O)O)O PI-38395 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.3 O=C(O)C(C)CN PI-42145 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,2,0,0,0,0|0,0,0]=2 255 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,2,0,0,0,0|0,0,0]=2 256 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,2,0,0,0,0|0,0,0]=2 257 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.4 B(CCCC)(O)O PI-16470 [0,2,0,0,0,0|0,0,0]=2 260 B6R0.4 C#CCCC(=O)O PI-30018 [0,2,0,0,0,0|0,0,2]=4 261 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,2,0,0,0,0|0,0,2]=4 262 B6R0.4 CC(NCCS)=O PI-37034 [0,2,0,0,0,0|0,1,1]=4 263 B6R0.4 CC=CCC(=O)O PI-47130 [0,2,0,0,0,0|0,0,2]=4 264 B6R0.4 CCC#CC(C)O PI-10903 [0,2,0,0,0,0|0,0,1]=3 265 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,2,0,0,0,0|0,0,1]=3 266 B6R0.4 CCCCC(C)O PI-42555 [0,2,0,0,0,0|0,0,0]=2 267 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,2,0,0,0,0|0,0,0]=2 268 B6R0.4 CCCNC(=O)N PI-19783 [0,2,0,0,0,0|0,0,2]=4 269 B6R0.4 CCNCC(=O)O PI-43211 [0,2,0,0,0,0|0,0,1]=3 270 B6R0.4 CN(C)CCCCl PI-50389 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.4 CN(C)CCCO PI-31996 [0,2,0,0,0,0|0,0,0]=2 272 B6R0.4 CN(C)CCON PI-47242 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.4 CNCCN(C)C PI-39257 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.4 CSCCC(=O)O PI-31992 [0,2,0,0,0,0|0,0,1]=3 275 B6R0.4 ClCCCC(=O)C PI-39487 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.4 ClCCCN(C)C PI-34098 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.4 NCCCC(=O)O PI-35917 [0,2,0,0,0,0|0,0,1]=3 278 B6R0.4 O=C(O)CCCBr PI-40017 [0,2,0,0,0,0|0,0,1]=3 279 B6R0.4 O=C(O)CCCCl PI-41227 [0,2,0,0,0,0|0,0,1]=3 280 B6R0.4 OCCCC(=O)C PI-13555 [0,2,0,0,0,0|0,0,0]=2 281 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.5 C(CCl)C(Cl)(Cl)Cl PI-48575 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.5 C(CI)C(F)(F)F PI-40183 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.5 C(CS(=O)(=O)O)N PI-31986 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.5 CC(C)(CSC)N PI-50645 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [0,2,0,0,0,0|1,1,0]=4 289 B6R0.5 CCOC(C)(C)C PI-39331 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.5 CS(=O)(=O)CCBr PI-44875 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.5 C[Si](C)(C)CCBr PI-45024 [0,2,0,0,0,0|1,1,0]=4 292 B6R0.5 NCC[S](=O)(=O)C PI-41234 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.5 O=CCC(C)(C)C PI-36862 [0,2,0,0,0,0|0,0,2]=4 294 B6R0.5 OCCC(C)(C)C PI-38249 [0,2,0,0,0,0|0,0,0]=2 295 B6R0.5 OCCC(F)(F)F PI-39031 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.5 OCC[Si](C)(C)C PI-13045 [0,2,0,0,0,0|0,1,0]=3 297 B6R0.6 BrCCCCC#N PI-22651 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.6 BrCCCCC=C PI-39147 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.6 BrCCOCCBr PI-13583 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.6 BrCC[NH2+]CCBr PI-37244 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.6 C#CCCCCO PI-40904 [0,2,0,0,0,0|0,0,0]=2 302 B6R0.6 C(CCBr)CCBr PI-44626 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.6 C(CCN)CCN PI-46858 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.6 C(CCO)CCCl PI-44261 [0,2,0,0,0,0|0,0,0]=2 305 B6R0.6 C(CCS)CCS PI-11006 [0,2,0,0,0,0|0,1,0]=3 306 B6R0.6 C(CN=C=S)CBr PI-22582 [0,2,0,0,0,0|0,1,1]=4 307 B6R0.6 C(COCCN)N PI-47125 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.6 CC=CC=CCO PI-24146 [0,2,0,0,0,0|0,0,2]=4 309 B6R0.6 CCCCCCN PI-46860 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.6 CCCCCNC PI-21907 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.6 CCCCN=C=S PI-22957 [0,2,0,0,0,0|0,1,0]=3 312 B6R0.6 CCCOCCCl PI-47054 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.6 CCCSCCC PI-48482 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.6 CCC\C=C\C=O PI-40157 [0,2,0,0,0,0|0,0,2]=4 315 B6R0.6 CCNCCC#N PI-19315 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.6 CNCCCNC PI-32197 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.6 COCCCCBr PI-39605 [0,2,0,0,0,0|0,0,0]=2 318 B6R0.6 COCCOCCl PI-12842 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.6 ClCCCCC#C PI-19028 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.6 ClCCCCC=O PI-34745 [0,2,0,0,0,0|0,0,1]=3 321 B6R0.6 ClCCCCCBr PI-10753 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.6 ClCCNCCCl PI-37373 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.8 C(C(CN)(F)F)N PI-49264 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.8 CC(N)(CC)C#C PI-36167 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.8 CCS(=O)(=O)CC PI-30756 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.9 B(CC)(CC)CC PI-50005 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.9 CCC(CC)CBr PI-47059 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.9 CCN(CC)N=O PI-47046 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.9 OCC(CC)CO PI-41977 [0,2,0,0,0,0|0,0,0]=2 330 B6R0.9 OCC(CO)CO PI-37259 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.9 OCC(OC)CO PI-46661 [0,2,0,0,0,0|1,0,0]=3 332 B4R1.1 C1CNC1 PI-35164 [1,0,0,1,0,0|1,0,0]=3 333 B4R1.1 C1CNC1 PI-39009 [1,0,0,1,0,0|1,0,0]=3 334 B4R1.2 C1CC1Br PI-20927 [1,0,0,1,0,0|1,0,0]=3 335 B4R1.2 C[C@@H]1CO1 PI-10840 [1,0,0,1,0,0|0,0,0]=2 336 B4R1.2 C[C@H]1CO1 PI-10843 [1,0,0,1,0,0|0,0,0]=2 337 B4R1.2 NC1CC1 PI-10868 [1,0,0,1,0,0|1,0,0]=3 338 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,1,0,0|1,0,1]=4 339 B6R1.2 C1CNCC1F PI-37496 [0,1,0,1,0,0|1,0,0]=3 340 B6R1.2 C1CNCC1N PI-12334 [0,1,0,1,0,0|1,0,0]=3 341 B6R1.2 C1CNCC1N PI-15467 [0,1,0,1,0,0|1,0,0]=3 342 B6R1.2 C1CNCC1N PI-15468 [0,1,0,1,0,0|1,0,0]=3 343 B6R1.2 C1CNCC1N PI-16581 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.2 C1CNCC1N PI-16582 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.2 C1CNCC1O PI-10126 [0,1,0,1,0,0|0,0,0]=2 346 B6R1.2 C1CNCC1O PI-42733 [0,1,0,1,0,0|0,0,0]=2 347 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,1,0,0|1,0,1]=4 348 B6R1.2 C1COCC1Cl PI-42699 [0,1,0,1,0,0|0,0,0]=2 349 B6R1.2 C1COCC1N PI-42643 [0,1,0,1,0,0|0,0,0]=2 350 B6R1.2 C1COCC1N PI-44061 [0,1,0,1,0,0|0,0,0]=2 351 B6R1.2 C1COCC1O PI-42698 [0,1,0,1,0,0|0,0,0]=2 352 B6R1.2 C1CSCC1=O PI-11167 [0,1,0,1,0,0|0,0,2]=4 353 B6R1.2 C1CSCC1O PI-48171 [0,1,0,1,0,0|0,0,0]=2 354 B6R1.2 CC1CCCN1 PI-35484 [0,1,0,1,0,0|1,0,0]=3 355 B6R1.2 CC1CCCN1 PI-35485 [0,1,0,1,0,0|1,0,0]=3 356 B6R1.2 CC1CCCS1 PI-47093 [0,1,0,1,0,0|0,1,0]=3 357 B6R1.2 CC1CCNC1 PI-48326 [0,1,0,1,0,0|1,0,0]=3 358 B6R1.2 CC1CNCC1 PI-36287 [0,1,0,1,0,0|1,0,0]=3 359 B6R1.2 CN1CCCC1 PI-49852 [0,1,0,1,0,0|1,0,0]=3 360 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,1,0,1,0,0|1,0,0]=3 361 B6R1.2 FC1CNCC1 PI-38496 [0,1,0,1,0,0|1,0,0]=3 362 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,1,0,1,0,0|1,0,0]=3 363 B6R1.2 IC1COCC1 PI-42701 [0,1,0,1,0,0|0,0,0]=2 364 B6R1.2 NC1CCNC1 PI-42734 [0,1,0,1,0,0|1,0,0]=3 365 B6R1.2 NC1COCC1 PI-42705 [0,1,0,1,0,0|0,0,0]=2 366 B6R1.2 NN1CCCC1 PI-14899 [0,1,0,1,0,0|1,0,0]=3 367 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,1,0,0|0,0,1]=3 368 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,1,0,0|0,0,1]=3 369 B6R1.2 OC1COCC1 PI-20870 [0,1,0,1,0,0|0,0,0]=2 370 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,1,0,1,0,0|0,0,0]=2 371 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,1,0,1,0,0|0,0,0]=2 372 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,1,0,1,0,0|0,0,0]=2 373 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,1,0,1,0,0|0,0,0]=2 374 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,1,0,1,0,0|0,0,0]=2 375 B6R1.3 C1CC1CCI PI-48331 [0,1,0,1,0,0|1,0,0]=3 376 B6R1.3 COCC1CO1 PI-24540 [0,1,0,1,0,0|0,0,0]=2 377 B6R1.3 COCC1CO1 PI-24541 [0,1,0,1,0,0|0,0,0]=2 378 B6R1.3 N#CCC1CC1 PI-13560 [0,1,0,1,0,0|1,0,0]=3 379 B6R1.3 OCCC1CC1 PI-17339 [0,1,0,1,0,0|0,0,0]=2 380 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,1,0,0|0,0,2]=4 381 B6R1.5 OC1CN(C1)C PI-37502 [0,1,0,1,0,0|1,0,0]=3 382 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,1,0,1,0,0|1,1,0]=4 383 B6R1.11 C1CC1C(=N)N PI-13557 [0,1,0,1,0,0|1,0,1]=4 384 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,1,0,1,0,0|0,0,2]=4 385 B6R1.11 C1CC1C(=O)N PI-30796 [0,1,0,1,0,0|0,0,2]=4 386 B6R1.11 CC(=O)C1CC1 PI-12875 [0,1,0,1,0,0|0,0,2]=4 387 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,1,0,1,0,0|1,0,0]=3 388 B6R1.11 OB(O)C1CC1 PI-25551 [0,1,0,1,0,0|1,0,0]=3 389 B6R1.1 C1CCSCS1 PI-25616 [0,1,0,1,0,0|0,1,0]=3 390 B6R1.1 C1CNCCS1 PI-15689 [0,1,0,1,0,0|0,1,0]=3 391 B6R1.1 C1COCC=C1 PI-40555 [0,1,0,1,0,0|0,0,1]=3 392 B6R1.1 C1COCCN1 PI-42536 [0,1,0,1,0,0|0,0,0]=2 393 B6R1.1 C1CSCCO1 PI-40740 [0,1,0,1,0,0|0,0,0]=2 394 B6R1.1 C1CSCCS1 PI-25617 [0,1,0,1,0,0|0,1,0]=3 395 B6R1.6 BrCC1CCC1 PI-28204 [0,1,0,1,0,0|1,0,0]=3 396 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,1,0,0|0,0,2]=4 397 B6R1.6 C1C(CO1)CO PI-48337 [0,1,0,1,0,0|0,0,0]=2 398 B6R1.6 C1CC(C1)CO PI-28530 [0,1,0,1,0,0|0,0,0]=2 399 B6R1.6 COC1CNC1 PI-36805 [0,1,0,1,0,0|1,0,0]=3 400 B6R1.6 COC1CNC1 PI-48292 [0,1,0,1,0,0|1,0,0]=3 401 B6R1.6 N#CC1CNC1 PI-36275 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.6 NCC1CCC1 PI-42247 [0,1,0,1,0,0|1,0,0]=3 403 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,1,0,0|0,0,1]=3 404 B6R1.6 OCC1COC1 PI-38455 [0,1,0,1,0,0|0,0,0]=2 405 B6R1.7 C1CC1(C#N)Br PI-42963 [0,1,0,1,0,0|1,0,1]=4 406 B6R1.7 C1CC1(C#N)N PI-35838 [0,1,0,1,0,0|1,0,1]=4 407 B6R1.7 C1CC1(CO)N PI-36053 [0,1,0,1,0,0|0,0,0]=2 408 B6R1.7 CC1(CO1)C=C PI-48078 [0,1,0,1,0,0|0,0,2]=4 409 B6R1.7 NCC1(O)CC1 PI-36049 [0,1,0,1,0,0|1,0,0]=3 410 B6R1.7 SCC1(C)CC1 PI-37767 [0,1,0,1,0,0|0,1,0]=3