0 B6R1.1 C1CCSCS1 PI-25616 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.1 C1CNCCS1 PI-15689 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,0,0,0|1,0,2]=3 3 B6R1.1 C1COCCN1 PI-42536 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.1 C1CSCCO1 PI-40740 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.1 C1CSCCS1 PI-25617 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,0,0,0|1,0,1]=3 9 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,0,0,0|0,0,0]=1 11 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,0,0,0|0,0,0]=1 13 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,0,0,0|0,0,0]=1 14 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,0,0,0|0,0,0]=1 15 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,0,0,0|0,0,0]=1 16 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.3 C1CCN(CC1)N PI-34077 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 C1CCN(CC1)N PI-43331 [0,1,0,0,0,0|0,0,0]=1 19 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,0,0,0|0,0,1]=2 20 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,0,0,0|0,0,0]=1 21 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,0,0,0|0,0,0]=1 22 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,0,0,0|0,0,0]=1 23 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,0,0,0|0,0,1]=2 24 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,0,0,0|0,0,0]=1 25 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,0,0,0|0,0,0]=1 27 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,0,0,0|0,0,0]=1 28 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,0,0,0|0,0,0]=1 29 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,0,0,0|0,0,0]=1 30 B7R1.3 C1COC(CN1)O PI-41771 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,0,0,0|1,0,1]=3 32 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.3 C1COCCC1I PI-45407 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 C1COCCN1N PI-33201 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,0,0,0|0,0,1]=2 37 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,0,0,0|1,0,1]=3 39 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,0,0,0|0,0,0]=1 48 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,0,0,0|0,0,0]=1 51 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,0,0,0|0,0,0]=1 52 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,0,0,0|0,0,0]=1 55 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,0,0,0|0,0,0]=1 56 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,0,0,0|1,0,1]=3 58 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,0,0,0|0,0,1]=2 59 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,0,0,0|0,0,1]=2 60 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,0,0,0|0,0,1]=2 61 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,0,0,0|1,0,1]=3 62 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,0,0,0|0,0,0]=1 67 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,0,0,0|0,0,0]=1 69 B5R0.2 BrCCCC=C PI-39146 [0,0,1,0,0,0|1,0,2]=4 70 B5R0.2 BrCCSCC PI-21417 [0,0,1,0,0,0|2,0,0]=3 71 B5R0.2 C(CC#N)CBr PI-41208 [0,0,1,0,0,0|1,0,2]=4 72 B5R0.2 C(CCBr)CCl PI-15812 [0,0,1,0,0,0|2,0,0]=3 73 B5R0.2 C(CCBr)CN PI-46910 [0,0,1,0,0,0|1,0,0]=2 74 B5R0.2 C(CCCl)CO PI-15813 [0,0,1,0,0,0|2,0,0]=3 75 B5R0.2 C(CCS)CS PI-11005 [0,0,1,0,0,0|2,0,0]=3 76 B5R0.2 C(CNN)C#N PI-50323 [0,0,1,0,0,0|2,0,1]=4 77 B5R0.2 CCCSSC PI-48493 [0,0,1,0,0,0|2,0,0]=3 78 B5R0.2 CCNCCN PI-13215 [0,0,1,0,0,0|1,0,0]=2 79 B5R0.2 CCO\C=C\C PI-12734 [0,0,1,0,0,0|1,0,2]=4 80 B5R0.2 CCSCCN PI-22120 [0,0,1,0,0,0|1,0,0]=2 81 B5R0.2 CCSSCC PI-45874 [0,0,1,0,0,0|2,0,0]=3 82 B5R0.2 CNCCNC PI-39066 [0,0,1,0,0,0|1,0,0]=2 83 B5R0.2 CNCCSC PI-35879 [0,0,1,0,0,0|1,0,0]=2 84 B5R0.2 COCCC=O PI-45882 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.2 COCCCCl PI-38032 [0,0,1,0,0,0|2,0,0]=3 86 B5R0.2 COCCCO PI-10094 [0,0,1,0,0,0|2,0,0]=3 87 B5R0.2 CSCCC=O PI-45744 [0,0,1,0,0,0|2,0,1]=4 88 B5R0.2 ClCCCC#C PI-20198 [0,0,1,0,0,0|1,0,2]=4 89 B5R0.2 ClCCCC#N PI-38313 [0,0,1,0,0,0|1,0,2]=4 90 B5R0.2 FCCCCBr PI-14440 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.2 NCCCCO PI-38298 [0,0,1,0,0,0|1,0,0]=2 92 B5R0.2 OCCCC#C PI-13238 [0,0,1,0,0,0|1,0,2]=4 93 B5R0.2 OCCCC=C PI-13243 [0,0,1,0,0,0|1,0,2]=4 94 B5R0.2 OCCCCBr PI-12762 [0,0,1,0,0,0|2,0,0]=3 95 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,1,0,0|1,0,0]=2 96 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,1,0,0|2,0,0]=3 97 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,0,1,0|0,0,2]=3 98 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,0,1,0|0,0,2]=3 99 B5R1.1 C1COC=C1 PI-45414 [0,0,0,0,1,0|1,0,2]=4 100 B7R1.24 C1CNCCNC1 PI-37834 [0,0,0,0,0,1|0,0,0]=1 101 B7R1.24 C1CNCCOC1 PI-29260 [0,0,0,0,0,1|0,0,0]=1 102 B7R1.24 C1COCCNN1 PI-42054 [0,0,0,0,0,1|1,0,0]=2 103 B4R0.2 C#CCCN PI-40906 [1,0,1,0,0,0|0,0,2]=4 104 B4R0.2 C(CF)CF PI-21236 [1,0,1,0,0,0|2,0,0]=4 105 B4R0.2 C(CF)CI PI-41494 [1,0,1,0,0,0|2,0,0]=4 106 B4R0.2 C(CN)CN PI-19035 [1,0,1,0,0,0|1,0,0]=3 107 B4R0.2 C(CN)CN PI-46906 [1,0,1,0,0,0|1,0,0]=3 108 B4R0.2 C(CN)CS PI-39174 [1,0,1,0,0,0|1,0,0]=3 109 B4R0.2 C(CO)CBr PI-15814 [1,0,1,0,0,0|2,0,0]=4 110 B4R0.2 C(CO)CI PI-50488 [1,0,1,0,0,0|2,0,0]=4 111 B4R0.2 C(CS)CS PI-11004 [1,0,1,0,0,0|2,0,0]=4 112 B4R0.2 CCCCCl PI-44613 [1,0,1,0,0,0|1,0,0]=3 113 B4R0.2 CCCNC PI-39187 [1,0,1,0,0,0|0,0,0]=2 114 B4R0.2 CNCC#N PI-14282 [1,0,1,0,0,0|1,0,1]=4 115 B4R0.2 CNCC=C PI-41121 [1,0,1,0,0,0|0,0,2]=4 116 B4R0.2 COCCBr PI-21426 [1,0,1,0,0,0|2,0,0]=4 117 B4R0.2 ClCCNC PI-41980 [1,0,1,0,0,0|1,0,0]=3 118 B4R0.2 NCCC#C PI-36764 [1,0,1,0,0,0|0,0,2]=4 119 B4R0.2 OCCCS PI-39546 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,1,0,0,0|2,0,0]=4 121 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,1,0,0,0|2,0,0]=4 122 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,1,0,0,0|2,0,0]=4 123 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,1,0,0,0|2,0,0]=4 124 B6R0.1 CC(CCN)CO PI-48961 [0,1,1,0,0,0|1,0,0]=3 125 B6R0.1 CCCC(=O)NN PI-23070 [0,1,1,0,0,0|1,0,1]=4 126 B6R0.1 CCCC(=O)SC PI-48512 [0,1,1,0,0,0|1,0,1]=4 127 B6R0.1 CCCC(C=C)O PI-15324 [0,1,1,0,0,0|1,0,1]=4 128 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,1,0,0,0|1,0,0]=3 129 B6R0.1 CCCC(CO)O PI-13556 [0,1,1,0,0,0|1,0,0]=3 130 B6R0.1 CCOC(=O)NC PI-50343 [0,1,1,0,0,0|1,0,1]=4 131 B6R0.1 CNCC(=O)OC PI-45586 [0,1,1,0,0,0|1,0,1]=4 132 B6R0.1 CNCC(CO)O PI-34729 [0,1,1,0,0,0|1,0,0]=3 133 B6R0.1 COC(=O)CCN PI-31148 [0,1,1,0,0,0|1,0,1]=4 134 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,1,0,0,0|2,0,0]=4 135 B6R0.4 B(CCCC)(O)O PI-16470 [0,1,1,0,0,0|2,0,0]=4 136 B6R0.4 CC(NCCS)=O PI-37034 [0,1,1,0,0,0|1,0,1]=4 137 B6R0.4 CCC#CC(C)O PI-10903 [0,1,1,0,0,0|1,0,1]=4 138 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,1,0,0,0|1,0,1]=4 139 B6R0.4 CCCCC(C)O PI-42555 [0,1,1,0,0,0|1,0,0]=3 140 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,1,0,0,0|1,0,0]=3 141 B6R0.4 CCCNC(=O)N PI-19783 [0,1,1,0,0,0|1,0,1]=4 142 B6R0.4 CCNCC(=O)O PI-43211 [0,1,1,0,0,0|1,0,1]=4 143 B6R0.4 CN(C)CCCCl PI-50389 [0,1,1,0,0,0|1,0,0]=3 144 B6R0.4 CN(C)CCCO PI-31996 [0,1,1,0,0,0|1,0,0]=3 145 B6R0.4 CN(C)CCON PI-47242 [0,1,1,0,0,0|2,0,0]=4 146 B6R0.4 CNCCN(C)C PI-39257 [0,1,1,0,0,0|1,0,0]=3 147 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,1,0,0,0|1,0,1]=4 148 B6R0.4 ClCCCN(C)C PI-34098 [0,1,1,0,0,0|1,0,0]=3 149 B6R0.4 NCCCC(=O)O PI-35917 [0,1,1,0,0,0|1,0,1]=4 150 B6R0.4 OCCCC(=O)C PI-13555 [0,1,1,0,0,0|1,0,1]=4 151 B6R0.6 BrCCCCC#N PI-22651 [0,1,1,0,0,0|0,0,2]=4 152 B6R0.6 BrCCCCC=C PI-39147 [0,1,1,0,0,0|1,0,1]=4 153 B6R0.6 BrCCOCCBr PI-13583 [0,1,1,0,0,0|2,0,0]=4 154 B6R0.6 BrCC[NH2+]CCBr PI-37244 [0,1,1,0,0,0|1,0,1]=4 155 B6R0.6 C#CCCCCO PI-40904 [0,1,1,0,0,0|1,0,1]=4 156 B6R0.6 C(CCBr)CCBr PI-44626 [0,1,1,0,0,0|1,0,0]=3 157 B6R0.6 C(CCN)CCN PI-46858 [0,1,1,0,0,0|0,0,0]=2 158 B6R0.6 C(CCO)CCCl PI-44261 [0,1,1,0,0,0|1,0,0]=3 159 B6R0.6 C(CCS)CCS PI-11006 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.6 C(COCCN)N PI-47125 [0,1,1,0,0,0|1,0,0]=3 161 B6R0.6 CCCCCCN PI-46860 [0,1,1,0,0,0|0,0,0]=2 162 B6R0.6 CCCCCNC PI-21907 [0,1,1,0,0,0|0,0,0]=2 163 B6R0.6 CCCCN=C=S PI-22957 [0,1,1,0,0,0|0,0,2]=4 164 B6R0.6 CCCOCCCl PI-47054 [0,1,1,0,0,0|1,0,0]=3 165 B6R0.6 CCCSCCC PI-48482 [0,1,1,0,0,0|1,0,0]=3 166 B6R0.6 CCNCCC#N PI-19315 [0,1,1,0,0,0|0,0,1]=3 167 B6R0.6 CNCCCNC PI-32197 [0,1,1,0,0,0|0,0,0]=2 168 B6R0.6 COCCCCBr PI-39605 [0,1,1,0,0,0|1,0,0]=3 169 B6R0.6 COCCOCCl PI-12842 [0,1,1,0,0,0|2,0,0]=4 170 B6R0.6 ClCCCCC#C PI-19028 [0,1,1,0,0,0|1,0,1]=4 171 B6R0.6 ClCCCCC=O PI-34745 [0,1,1,0,0,0|1,0,1]=4 172 B6R0.6 ClCCCCCBr PI-10753 [0,1,1,0,0,0|1,0,0]=3 173 B6R0.6 ClCCNCCCl PI-37373 [0,1,1,0,0,0|1,0,0]=3 174 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,0,1,0|0,0,2]=4 175 B6R1.2 C1CNCC1F PI-37496 [0,1,0,0,1,0|0,0,0]=2 176 B6R1.2 C1CNCC1N PI-12334 [0,1,0,0,1,0|0,0,0]=2 177 B6R1.2 C1CNCC1N PI-15467 [0,1,0,0,1,0|0,0,0]=2 178 B6R1.2 C1CNCC1N PI-15468 [0,1,0,0,1,0|0,0,0]=2 179 B6R1.2 C1CNCC1N PI-16581 [0,1,0,0,1,0|0,0,0]=2 180 B6R1.2 C1CNCC1N PI-16582 [0,1,0,0,1,0|0,0,0]=2 181 B6R1.2 C1CNCC1O PI-10126 [0,1,0,0,1,0|0,0,0]=2 182 B6R1.2 C1CNCC1O PI-42733 [0,1,0,0,1,0|0,0,0]=2 183 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,0,1,0|1,0,1]=4 184 B6R1.2 C1COCC1Cl PI-42699 [0,1,0,0,1,0|1,0,0]=3 185 B6R1.2 C1COCC1N PI-42643 [0,1,0,0,1,0|1,0,0]=3 186 B6R1.2 C1COCC1N PI-44061 [0,1,0,0,1,0|1,0,0]=3 187 B6R1.2 C1COCC1O PI-42698 [0,1,0,0,1,0|1,0,0]=3 188 B6R1.2 C1CSC(=S)N1 PI-33314 [0,1,0,0,1,0|1,0,1]=4 189 B6R1.2 C1CSCC1=O PI-11167 [0,1,0,0,1,0|1,0,1]=4 190 B6R1.2 C1CSCC1O PI-48171 [0,1,0,0,1,0|1,0,0]=3 191 B6R1.2 CC1CCCN1 PI-35484 [0,1,0,0,1,0|0,0,0]=2 192 B6R1.2 CC1CCCN1 PI-35485 [0,1,0,0,1,0|0,0,0]=2 193 B6R1.2 CC1CCCS1 PI-47093 [0,1,0,0,1,0|1,0,0]=3 194 B6R1.2 CC1CCNC1 PI-48326 [0,1,0,0,1,0|0,0,0]=2 195 B6R1.2 CC1CNCC1 PI-36287 [0,1,0,0,1,0|0,0,0]=2 196 B6R1.2 CN1CCCC1 PI-49852 [0,1,0,0,1,0|0,0,0]=2 197 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,1,0,0,1,0|0,0,0]=2 198 B6R1.2 FC1CNCC1 PI-38496 [0,1,0,0,1,0|0,0,0]=2 199 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,1,0,0,1,0|0,0,0]=2 200 B6R1.2 IC1COCC1 PI-42701 [0,1,0,0,1,0|1,0,0]=3 201 B6R1.2 NC1CCNC1 PI-42734 [0,1,0,0,1,0|0,0,0]=2 202 B6R1.2 NC1COCC1 PI-42705 [0,1,0,0,1,0|1,0,0]=3 203 B6R1.2 NN1CCCC1 PI-14899 [0,1,0,0,1,0|0,0,0]=2 204 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,0,1,0|1,0,1]=4 205 B6R1.2 O=C1NCNC1 PI-35001 [0,1,0,0,1,0|1,0,1]=4 206 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,0,1,0|0,0,2]=4 207 B6R1.2 OC1COCC1 PI-20870 [0,1,0,0,1,0|1,0,0]=3 208 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,1,0,0,1,0|1,0,0]=3 209 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,1,0,0,1,0|0,0,0]=2 210 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,1,0,0,1,0|0,0,0]=2 211 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,1,0,0,1,0|1,0,0]=3 212 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,1,0,0,1,0|0,0,0]=2 213 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,1,0,0,0,1|1,0,1]=4 214 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,1,0,0,0,1|0,0,0]=2 215 B8R1.22 C1CCNCC(C1)N PI-15948 [0,1,0,0,0,1|0,0,0]=2 216 B8R1.22 C1CNCCNC1=O PI-35483 [0,1,0,0,0,1|0,0,1]=3 217 B8R1.22 C=C1OCCCCO1 PI-46618 [0,1,0,0,0,1|1,0,1]=4 218 B8R1.22 CN1CCCNCC1 PI-34064 [0,1,0,0,0,1|0,0,0]=2 219 B8R1.22 O=C1CNCCCN1 PI-34767 [0,1,0,0,0,1|0,0,1]=3 220 B8R1.2 BrCC1CCCCC1 PI-33021 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.2 BrCC1CCCOC1 PI-39467 [0,2,0,0,0,0|1,0,0]=3 222 B8R1.2 BrCC1CCNCC1 PI-36265 [0,2,0,0,0,0|0,0,0]=2 223 B8R1.2 BrCC1CCOCC1 PI-14484 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.2 C#CC1CCOCC1 PI-45406 [0,2,0,0,0,0|1,0,0]=3 225 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,2,0,0,0,0|1,0,1]=4 226 B8R1.2 C(C1CCOCC1)O PI-40556 [0,2,0,0,0,0|1,0,0]=3 227 B8R1.2 C1CC(CNC1)CN PI-11064 [0,2,0,0,0,0|0,0,0]=2 228 B8R1.2 C1CC(CNC1)CO PI-11066 [0,2,0,0,0,0|0,0,0]=2 229 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.2 C1CCC(CC1)CI PI-44086 [0,2,0,0,0,0|1,0,0]=3 231 B8R1.2 C1CCC(CC1)NN PI-17833 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.2 C1CCC(CC1)NO PI-17940 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.2 C1CCC(CC1)ON PI-47245 [0,2,0,0,0,0|1,0,0]=3 234 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,2,0,0,0,0|0,0,0]=2 235 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,2,0,0,0,0|0,0,0]=2 236 B8R1.2 C1CCNC(C1)CO PI-11061 [0,2,0,0,0,0|0,0,0]=2 237 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,2,0,0,0,0|1,0,0]=3 238 B8R1.2 C1CNCCC1C=O PI-13255 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.2 C1CNCCC1CN PI-11070 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.2 C1CNCCC1CO PI-31327 [0,2,0,0,0,0|0,0,0]=2 241 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.2 C1COC(CN1)CO PI-41789 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.2 C1COC(CN1)CO PI-44022 [0,2,0,0,0,0|1,0,0]=3 244 B8R1.2 C1COC(CN1)CO PI-44023 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.2 C1CSC(CS1)C#N PI-25253 [0,2,0,0,0,0|2,0,0]=4 248 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,2,0,0,0,0|0,0,0]=2 249 B8R1.2 CCC1CCCCN1 PI-11060 [0,2,0,0,0,0|0,0,0]=2 250 B8R1.2 CCC1CNCCN1 PI-40004 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.2 CCN1CCNCC1 PI-33488 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.2 CNC1CCCNC1 PI-11067 [0,2,0,0,0,0|0,0,0]=2 253 B8R1.2 CNC1CCNCC1 PI-43342 [0,2,0,0,0,0|0,0,0]=2 254 B8R1.2 CNC1CCNCC1 PI-43343 [0,2,0,0,0,0|0,0,0]=2 255 B8R1.2 CNC1CCOCC1 PI-38449 [0,2,0,0,0,0|1,0,0]=3 256 B8R1.2 COC1CCCNC1 PI-36380 [0,2,0,0,0,0|0,0,0]=2 257 B8R1.2 COC1CCCNC1 PI-43328 [0,2,0,0,0,0|0,0,0]=2 258 B8R1.2 COC1CCNCC1 PI-39354 [0,2,0,0,0,0|0,0,0]=2 259 B8R1.2 COC1CCNCC1 PI-39359 [0,2,0,0,0,0|0,0,0]=2 260 B8R1.2 N#CC1CCNCC1 PI-25574 [0,2,0,0,0,0|0,0,0]=2 261 B8R1.2 N#CC1CCOCC1 PI-39254 [0,2,0,0,0,0|1,0,0]=3 262 B8R1.2 NCC1CCCCC1 PI-34207 [0,2,0,0,0,0|1,0,0]=3 263 B8R1.2 NCC1CCCCN1 PI-11059 [0,2,0,0,0,0|0,0,0]=2 264 B8R1.2 NCC1CCOCC1 PI-14113 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.2 NOC1CCCCO1 PI-31842 [0,2,0,0,0,0|1,0,0]=3 266 B8R1.2 O=CC1CCCCC1 PI-11615 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.2 OCC1CCCCC1 PI-15325 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.2 OCC1CCNCC1 PI-11073 [0,2,0,0,0,0|0,0,0]=2 269 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,2,0,0,0,0|1,0,1]=4 270 B8R1.3 C1C(SCC(S1)O)O PI-15243 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.3 C1CC(CCC1N)O PI-10861 [0,2,0,0,0,0|1,0,0]=3 272 B8R1.3 C1CC(CCC1N)O PI-45759 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.3 C1CC(CCC1O)O PI-47036 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.3 C1CC(NCC1Br)Br PI-13266 [0,2,0,0,0,0|0,0,0]=2 275 B8R1.3 C1CC(NCC1Cl)N PI-14911 [0,2,0,0,0,0|0,0,0]=2 276 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.3 CC1CCC(CC1)N PI-12652 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.3 CC1CCC(CC1)N PI-13103 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.3 CC1CCC(CC1)N PI-13124 [0,2,0,0,0,0|1,0,0]=3 280 B8R1.3 CC1CNC(CN1)C PI-11053 [0,2,0,0,0,0|1,0,0]=3 281 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,2,0,0,0,0|0,0,1]=3 282 B8R1.3 CN1CCC(CC1)Cl PI-12517 [0,2,0,0,0,0|0,0,0]=2 283 B8R1.3 CN1CCC(CC1)Cl PI-16023 [0,2,0,0,0,0|0,0,0]=2 284 B8R1.3 CN1CCC(CC1)N PI-14111 [0,2,0,0,0,0|0,0,0]=2 285 B8R1.3 CN1CCC(CC1)O PI-43240 [0,2,0,0,0,0|0,0,0]=2 286 B8R1.3 CN1CCN(N)CC1 PI-14898 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,2,0,0,0,0|1,0,0]=3 288 B8R1.3 NC1CCC(CC1)N PI-37998 [0,2,0,0,0,0|1,0,0]=3 289 B8R1.3 NC1CCC(CC1)O PI-17554 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,2,0,0,0,0|1,0,1]=4 294 B8R1.3 OC1OCC(OC1)O PI-37435 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.4 C1C(CNCC1Br)Br PI-13264 [0,2,0,0,0,0|0,0,0]=2 297 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,2,0,0,0,0|0,0,2]=4 298 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.4 C1CC(NC(C1)Br)Br PI-13265 [0,2,0,0,0,0|0,0,0]=2 300 B8R1.4 CC1CC(CNC1)C PI-32523 [0,2,0,0,0,0|0,0,0]=2 301 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,2,0,0,0,0|0,0,1]=3 302 B8R1.4 CC1CCNC(C1)C PI-11063 [0,2,0,0,0,0|0,0,0]=2 303 B8R1.4 CC1CN(CCN1)C PI-40975 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.4 CC1CNCC(N1)C PI-11769 [0,2,0,0,0,0|1,0,0]=3 305 B8R1.4 CN1CCCC(C1)N PI-43339 [0,2,0,0,0,0|0,0,0]=2 306 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,2,0,0,0,0|1,0,1]=4 308 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,2,0,0,0,0|1,0,1]=4 309 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,2,0,0,0,0|0,0,2]=4 310 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,2,0,0,0,0|1,0,1]=4 311 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,2,0,0,0,0|0,0,1]=3 312 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,2,0,0,0,0|1,0,1]=4 313 B8R1.5 C1C(C(CSS1)O)O PI-25145 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,2,0,0,0,0|0,0,1]=3 319 B8R1.5 C1CNC[C@H]([C@H]1O)F PI-49290 [0,2,0,0,0,0|0,0,0]=2 320 B8R1.5 C1COCC(C1N)O PI-45087 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.5 CC1=NCCCN1C PI-44800 [0,2,0,0,0,0|1,0,1]=4 322 B8R1.5 CC1=NCCCN1C PI-44822 [0,2,0,0,0,0|1,0,1]=4 323 B8R1.5 CC1CCCCC1N PI-13571 [0,2,0,0,0,0|1,0,0]=3 324 B8R1.5 CC1CNCCC1=O PI-43304 [0,2,0,0,0,0|0,0,1]=3 325 B8R1.5 CC1CNCCC1O PI-43324 [0,2,0,0,0,0|0,0,0]=2 326 B8R1.5 NC1CCCCC1O PI-17286 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,2,0,0,0,0|1,0,0]=3 331 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,2,0,0,0,0|1,0,0]=3 334 B8R1.5 O=C1CCCCC1=O PI-20909 [0,2,0,0,0,0|1,0,1]=4 335 B8R1.5 O=C1CCOCC1F PI-39023 [0,2,0,0,0,0|1,0,1]=4 336 B8R1.5 O=C1NCCCC1O PI-41426 [0,2,0,0,0,0|0,0,1]=3 337 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.72 C1CCNCC1(C)C PI-38949 [0,2,0,0,0,0|0,0,0]=2 339 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-44561 [0,2,0,0,0,0|1,0,0]=3 340 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-45179 [0,2,0,0,0,0|1,0,0]=3 341 B8R1.72 C1CNCCC1(F)F PI-42692 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.72 CC1(C)CCNCC1 PI-40549 [0,2,0,0,0,0|0,0,0]=2 344 B8R1.72 CC1(CCCNC1)O PI-43320 [0,2,0,0,0,0|0,0,0]=2 345 B8R1.72 CC1(CCCNC1)O PI-43321 [0,2,0,0,0,0|0,0,0]=2 346 B8R1.72 CC1(CCNCC1)O PI-43202 [0,2,0,0,0,0|0,0,0]=2 347 B8R1.72 CC1(CNCCN1)C PI-48779 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.72 CC1(O)CCNCC1 PI-42681 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.72 C[N+]1(CCOCC1)[O-] PI-44975 [0,2,0,0,0,0|1,0,1]=4 351 B8R1.72 FC1(F)CCCNC1 PI-39270 [0,2,0,0,0,0|0,0,0]=2 352 B8R1.72 FC1(F)CCNCC1 PI-21235 [0,2,0,0,0,0|0,0,0]=2 353 B8R1.72 NC1(C)CCOCC1 PI-40814 [0,2,0,0,0,0|1,0,0]=3 354 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.72 [O-][N+]1(C)CCOCC1 PI-30861 [0,2,0,0,0,0|1,0,1]=4 357 B6R1.3 C1CC1CCI PI-48331 [0,0,1,1,0,0|1,0,0]=3 358 B6R1.3 COCC1CO1 PI-24540 [0,0,1,1,0,0|2,0,0]=4 359 B6R1.3 COCC1CO1 PI-24541 [0,0,1,1,0,0|2,0,0]=4 360 B6R1.3 N#CCC1CC1 PI-13560 [0,0,1,1,0,0|0,0,2]=4 361 B6R1.3 OCCC1CC1 PI-17339 [0,0,1,1,0,0|1,0,0]=3 362 B6R1.6 BrCC1CCC1 PI-28204 [0,0,1,1,0,0|1,0,0]=3 363 B6R1.6 C1C(CO1)CO PI-48337 [0,0,1,1,0,0|2,0,0]=4 364 B6R1.6 C1CC(C1)CO PI-28530 [0,0,1,1,0,0|1,0,0]=3 365 B6R1.6 COC1CNC1 PI-36805 [0,0,1,1,0,0|1,0,0]=3 366 B6R1.6 COC1CNC1 PI-48292 [0,0,1,1,0,0|1,0,0]=3 367 B6R1.6 N#CC1CNC1 PI-36275 [0,0,1,1,0,0|1,0,1]=4 368 B6R1.6 NCC1CCC1 PI-42247 [0,0,1,1,0,0|0,0,0]=2 369 B6R1.6 O=CC1CCC1 PI-36863 [0,0,1,1,0,0|1,0,1]=4 370 B6R1.6 OCC1COC1 PI-38455 [0,0,1,1,0,0|2,0,0]=4 371 B8R2.34 C1O[C@@H]2C[C@H]1NC2 PI-38119 [0,1,0,1,0,0|1,0,0]=3 372 B4R1.1 C1CNC1 PI-35164 [0,0,0,0,2,0|0,0,0]=2 373 B4R1.1 C1CNC1 PI-39009 [0,0,0,0,2,0|0,0,0]=2 374 B8R1.49 C/1=C/CC\C=C/CC1 PI-42262 [0,0,0,0,0,2|1,0,1]=4 375 B8R1.49 C1CC=CCCC=C1 PI-35837 [0,0,0,0,0,2|1,0,1]=4 376 B8R1.49 C1CC=CCCC=C1 PI-39260 [0,0,0,0,0,2|1,0,1]=4 377 B8R1.49 C1CC=CCCC=C1 PI-42592 [0,0,0,0,0,2|1,0,1]=4 378 B8R1.49 C1CC=CCCC=C1 PI-42620 [0,0,0,0,0,2|1,0,1]=4