0 B7R0.1 BrCCCCCC#N PI-21504 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C(CCCBr)CCO PI-39099 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 C(CCCCl)CCCl PI-44616 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 C(CCCS)CCO PI-40491 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 C(CCCS)CCS PI-35928 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.1 C(C[Se][Se]CCN)N PI-21712 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.1 CCCCCCCBr PI-44628 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCN=C=O PI-11407 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CCCCNCCN PI-15624 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCCSSCCC PI-48483 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.1 COCCCCCBr PI-50168 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 OCCCCCCCl PI-37141 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.1 OCCCCCCN PI-40365 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 OCCCCOC=C PI-12738 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 BrCCCCC#N PI-22651 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 BrCCCCC=C PI-39147 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.6 BrCCOCCBr PI-13583 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 BrCC[NH2+]CCBr PI-37244 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 C#CCCCCO PI-40904 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 C(CCN)CCN PI-46858 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 C(CCO)CCCl PI-44261 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.6 C(CCS)CCS PI-11006 [1,0,0,0,0,0|1,1,0]=3 23 B6R0.6 C(COCCN)N PI-47125 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|1,1,0]=3 29 B6R0.6 CCNCCC#N PI-19315 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.6 ClCCCCC#C PI-19028 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.6 ClCCCCC=O PI-34745 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.6 ClCCCCCBr PI-10753 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 ClCCNCCCl PI-37373 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.4 CCCCCC#CCBr PI-22217 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.4 CCCCCC=CCO PI-26231 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.4 CCCCCCCCBr PI-44631 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.4 CCCCCCCCCl PI-44615 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.4 CCCCNCCC#N PI-22875 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.4 CCCCSCCCC PI-48485 [0,1,0,0,0,0|1,1,0]=3 44 B8R0.4 CCOCCOCCBr PI-50169 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.4 COCCNCCOC PI-42682 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.4 OCCCCCCC#C PI-40903 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.6 CCCCCC(C=C)O PI-39433 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.7 CC(NCCCCO)C PI-39829 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.7 CCCC\C=C\B(O)O PI-18546 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,0,0,0,0|0,0,1]=2 58 B8R1.2 BrCC1CCCCC1 PI-33021 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.2 BrCC1CCCOC1 PI-39467 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.2 BrCC1CCNCC1 PI-36265 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 BrCC1CCOCC1 PI-14484 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 C(C1CCOCC1)O PI-40556 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.2 C1CC(CNC1)CN PI-11064 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 C1CC(CNC1)CO PI-11066 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.2 C1CC(OC=C1)CN PI-31375 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,0,0,1,0,0|0,0,2]=3 67 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.2 C1CCC(CC1)CI PI-44086 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.2 C1CCC(CC1)NN PI-17833 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 C1CCC(CC1)NO PI-17940 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 C1CCC(CC1)ON PI-47245 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.2 C1CCNC(C1)CO PI-11061 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.2 C1CNCCC1CN PI-11070 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.2 C1CNCCC1CO PI-31327 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.2 C1COC(CN1)CO PI-41789 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.2 C1COC(CN1)CO PI-44022 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.2 C1COC(CN1)CO PI-44023 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.2 CCC1CNCCN1 PI-40004 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.2 CNC1CCCNC1 PI-11067 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.2 COC1CCCNC1 PI-36380 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.2 COC1CCCNC1 PI-43328 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.2 NCC1CCCCC1 PI-34207 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.2 NCC1CCCCN1 PI-11059 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.2 NCC1CCOCC1 PI-14113 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.2 NOC1CCCCO1 PI-31842 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 O=CC1CCCCC1 PI-11615 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.2 OCC1CCCCC1 PI-15325 [0,0,0,1,0,0|1,0,0]=2 94 B8R1.2 OCC1CCNCC1 PI-11073 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.5 C1C(C(CSS1)O)O PI-25145 [0,0,0,1,0,0|2,1,0]=4 96 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 C1CNC[C@H]([C@H]1O)F PI-49290 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.5 C1COCC(C1N)O PI-45087 [0,0,0,1,0,0|1,0,0]=2 102 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.5 CC1CNCCC1O PI-43324 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 NC1CCCCC1O PI-17286 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.5 O=C1CCOCC1F PI-39023 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.8 C1CCN(C1)CCO PI-49853 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.8 C1COC(O1)CCN PI-17178 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.8 CNCC1CCCO1 PI-45431 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.8 ClCCN1CCCC1 PI-16416 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.11 CN1CCCC1CO PI-28906 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.36 C#CCOCC1CO1 PI-40908 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.36 CCCNCC1CC1 PI-13558 [0,0,0,1,0,0|2,0,0]=3 125 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|1,1,0]=4 126 B5R0.2 C(CCBr)CCl PI-15812 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 C(CCBr)CN PI-46910 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.2 C(CCS)CS PI-11005 [2,0,0,0,0,0|1,1,0]=4 130 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|0,0,2]=4 131 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 132 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|1,1,0]=4 135 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|1,1,0]=4 136 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|1,1,0]=4 138 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.2 FCCCCBr PI-14440 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.2 OCCCC#C PI-13238 [2,0,0,0,0,0|0,0,2]=4 144 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|0,0,2]=4 145 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.4 CCCCCB(O)O PI-37261 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|0,1,1]=4 151 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|0,0,1]=3 152 B7R0.4 CN(C)CCCCN PI-23376 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.4 COCCOC(=O)C PI-12910 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.7 CC(CCBr)CCBr PI-25581 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.7 CCCC(=O)OCCl PI-36667 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.7 CCOC(=O)COC PI-50353 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.7 CCOC(=O)CSC PI-39857 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.7 CNCC(=O)OCC PI-30682 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.7 NCCC(=O)OCC PI-33213 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.7 OCCC(=O)OCC PI-39562 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|1,0,1]=4 166 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,2,0,0,0,0|1,0,1]=4 169 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.45 C#CCCCCCCCO PI-40905 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.45 C(CCCCCl)CCCCl PI-10977 [0,2,0,0,0,0|2,0,0]=4 172 B9R0.45 C(CCCCI)CCCI PI-46866 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.45 C(CCCCN)CCCN PI-44644 [0,2,0,0,0,0|2,0,0]=4 174 B9R0.45 C(CCCCO)CCCO PI-16494 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.45 C(CCNCCC#N)CN PI-36759 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.45 C(COCCI)OCCI PI-10975 [0,2,0,0,0,0|1,0,0]=3 177 B9R0.45 C(CSCCSCCO)O PI-18623 [0,2,0,0,0,0|0,1,0]=3 178 B9R0.45 C=CCCCCCCCBr PI-37398 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.45 CCCCC#CCCCCl PI-12837 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.45 CCCCCCC=CCO PI-46869 [0,2,0,0,0,0|1,0,0]=3 181 B9R0.45 CCCCCCCCC#C PI-12874 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.45 CCCCCCCN=C=S PI-15990 [0,2,0,0,0,0|1,1,0]=4 183 B9R0.45 CCCCNCCCCO PI-47099 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.45 NCCCNCCCCN PI-27634 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.45 NCCOCCOCCN PI-42612 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.45 NCCOCCOCCO PI-39479 [0,2,0,0,0,0|0,0,0]=2 187 B9R0.45 OCCCCCCCCBr PI-41510 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.45 OCCNCCNCCO PI-39043 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.45 OCCOCCOCCCl PI-38200 [0,2,0,0,0,0|0,0,0]=2 190 B9R0.46 CCCCCCC(CO)O PI-44204 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|1,0,1]=4 193 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,2,0,0,0,0|1,0,1]=4 194 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [0,2,0,0,0,0|2,0,0]=4 195 B7R1.1 C1CC(NC1)CN PI-35678 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 C1CC(OC1)CBr PI-30089 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,1,0,0|0,0,0]=2 198 B7R1.1 C1CCC(C1)ON PI-47243 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 C1CNCC1CO PI-40189 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.1 C1CNCC1CO PI-40190 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.1 C1COCC1CBr PI-42703 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.1 C1COCC1CCl PI-42702 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.1 C1COCC1CO PI-41224 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.1 COC1OCCO1 PI-47112 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.1 ICC1COCC1 PI-42704 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.1 NNC1CCCC1 PI-36366 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.1 NNC1CCCC1 PI-38997 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.1 OCC1CC=CC1 PI-35499 [1,0,0,1,0,0|0,0,2]=4 210 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.3 BrC1CCCOC1 PI-35181 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.3 BrC1CCOCC1 PI-35207 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|0,0,2]=4 215 B7R1.3 C1CC(CNC1)Br PI-13262 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 C1CC(CNC1)F PI-48937 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 C1CC(CNC1)N PI-11065 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 C1CC(CNC1)N PI-27492 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 C1CC(CNC1)O PI-10129 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 C1CC(CNC1)O PI-11069 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.3 C1CC(CNC1)O PI-31252 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 C1CCNC(C1)Br PI-13261 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 C1CCNC(C1)Cl PI-13259 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 C1CCNC(C1)O PI-11062 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.3 C1CNCCC1Br PI-34736 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 C1CNCCC1Cl PI-13260 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 C1CNCCC1F PI-48939 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 C1CNCCC1N PI-12453 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 C1CNCCC1N PI-43332 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 C1CNCCC1O PI-43307 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.3 C1COC(CN1)O PI-41771 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.3 C1COCCC1Cl PI-45093 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.3 C1COCCC1I PI-45407 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.3 C1COCCN1N PI-33201 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|0,0,2]=4 240 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.3 CC1=CCOCC1 PI-42722 [1,0,0,1,0,0|0,0,2]=4 242 B7R1.3 CC1CCOCO1 PI-47110 [1,0,0,1,0,0|0,0,0]=2 243 B7R1.3 CC1CNCCN1 PI-31297 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 CC1CNCCN1 PI-33175 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.3 CC1CNCCO1 PI-34764 [1,0,0,1,0,0|1,0,0]=3 246 B7R1.3 CC1SCCCS1 PI-25717 [1,0,0,1,0,0|1,1,0]=4 247 B7R1.3 CN1CCNCC1 PI-50345 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.3 C[C@H]1CNCCO1 PI-37360 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.3 NC1CCCCN1 PI-13252 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.3 NC1CCCNC1 PI-13253 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.3 NC1CCOCC1 PI-14135 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.3 NC1CCOCC1 PI-39008 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.3 O1CCCC(C1)O PI-42688 [1,0,0,1,0,0|0,0,0]=2 259 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,2]=4 260 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.3 OC1CCNCC1 PI-31377 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.3 OC1CCOCC1 PI-37145 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.3 O[C@H]1CCCNC1 PI-10130 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.4 C1COC(C1Cl)Cl PI-13234 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.4 CC1C(CCO1)S PI-14229 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.6 NCCC1COC1 PI-36429 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.6 OCCC1COC1 PI-36428 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.7 C=CCCC1CO1 PI-41845 [1,0,0,1,0,0|0,0,2]=4 276 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [1,0,0,1,0,0|0,0,2]=4 277 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.24 C1COCCNN1 PI-42054 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.2 CCN1CCCC(C1)O PI-43238 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.2 CN1CCCC(C1)CO PI-46014 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.2 CN1CCOC(C1)CN PI-49243 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.7 O[C@H]1CN(CCN)CC1 PI-40972 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.8 BrCCC1CCCCC1 PI-17338 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.8 C1CCC(CC1)OCCl PI-47095 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.8 C1CCN(CC1)CCCl PI-16415 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.8 C1CNCCC1CCO PI-33986 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.8 C1CNCCC1CCO PI-49464 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.8 C1COC(CN1)CCN PI-36262 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.8 C1COC(OC1)CCBr PI-48812 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.8 C1COCCC1CCBr PI-45411 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.8 C1COCCN1CCBr PI-50190 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.8 C1COCCN1CCCl PI-33742 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.8 C1CSCCN1CCN PI-17490 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.8 CCCC1CCCCN1 PI-18460 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.8 CCCN1CCNCC1 PI-19319 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.8 COCC1CCCCN1 PI-43215 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.8 COCC1CCCCN1 PI-43325 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.8 COCC1CCNCC1 PI-43195 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.8 COCC1CCNCC1 PI-43327 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.8 NCCC1CCOCC1 PI-10590 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.8 OCCN1CCNCC1 PI-41307 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.8 OCCN1CCSCC1 PI-15691 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.15 CN1CCCCC1CO PI-43934 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.15 OCC1CNCCC1O PI-36258 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O PI-11363 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.33 CN1CCCC1CCN PI-32492 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.33 ClCCC1CCCN1C PI-16414 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.33 OCCC1CCCN1C PI-32493 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.49 CN1CCCC(CC1)O PI-48280 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.134 CC1(OCCS1)CCS PI-48499 [0,1,0,1,0,0|1,1,0]=4 314 B9R1.134 CCC[N+]1(CCCC1)C PI-45709 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.134 CCC[N+]1(CCCC1)C PI-45710 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.134 CCC[N+]1(CCCC1)C PI-45711 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.14 CCN1CCCC1CN PI-11278 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.14 CCN1CCCC1CN PI-31113 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.14 NC[C@H]1CCCN1CC PI-32820 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.16 C#CCCCC1CC1O PI-42403 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.83 C=CCCCCC1OC1 PI-19272 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.1 OCC1CCN(C)CC1 PI-27324 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.3 OC1CCCC(O)C1O PI-19785 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO PI-38384 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.118 C1CCC(CC1)(CN)O PI-17134 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.118 CC1(CCCCC1)CBr PI-36358 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.118 CCC1(O)CCCCC1 PI-29293 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.6 OB(C1CCCCC1)O PI-25580 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.41 CN(C)C1COCC1O PI-34070 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,1,0,1,0,0|0,0,1]=3 342 B9R2.68 O1CC2CCC(C1)N2 PI-37505 [0,0,0,2,0,0|1,0,0]=3 343 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,2,0,0|1,0,0]=3 344 B9R2.3 C1CC2C(C1)CNC2 PI-10398 [0,0,0,2,0,0|2,0,0]=4