0 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,0,0,0|1,0,1]=3 9 B7R1.24 C1COCCNN1 PI-42054 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.49 CN1CCCC(CC1)O PI-48280 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.89 C1CNCCN(C1)C=O PI-34065 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.1 BrCCCCCC#N PI-21504 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.1 C(CCCBr)CCO PI-39099 [0,0,1,0,0,0|1,0,2]=4 22 B7R0.1 C(CCCCl)CCCl PI-44616 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.1 C(CCCS)CCO PI-40491 [0,0,1,0,0,0|1,0,2]=4 24 B7R0.1 C(CCCS)CCS PI-35928 [0,0,1,0,0,0|1,1,1]=4 25 B7R0.1 CCCCCCCBr PI-44628 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.1 CCCCCN=C=O PI-11407 [0,0,1,0,0,0|0,0,2]=3 27 B7R0.1 CCCCNCCN PI-15624 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.1 COCCCCCBr PI-50168 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.1 OCCCCCCCl PI-37141 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.1 OCCCCCCN PI-40365 [0,0,1,0,0,0|0,0,2]=3 31 B7R0.1 OCCCCOC=C PI-12738 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,0,1,0,0,0|1,0,2]=4 33 B7R0.3 CCCCC(=O)NN PI-50263 [0,0,1,0,0,0|1,0,0]=2 34 B7R0.3 COC(=O)CCC#C PI-39349 [0,0,1,0,0,0|1,0,2]=4 35 B7R0.3 COC(=O)CCC=O PI-48276 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.3 COC(=O)CCCBr PI-44980 [0,0,1,0,0,0|2,0,0]=3 37 B7R0.3 COC(=O)CCCN PI-42165 [0,0,1,0,0,0|2,0,0]=3 38 B7R0.3 COC(=O)CCSC PI-45979 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.3 COCCC(=O)NN PI-50294 [0,0,1,0,0,0|2,0,0]=3 40 B7R0.3 O=C(OC)CCNC PI-40057 [0,0,1,0,0,0|2,0,0]=3 41 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.4 BrCCCCC(=O)O PI-11341 [0,0,1,0,0,0|2,0,0]=3 43 B7R0.4 C#CCCCC(O)=O PI-37286 [0,0,1,0,0,0|1,0,2]=4 44 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,0,1,0,0,0|3,0,0]=4 47 B7R0.4 CC(=O)CCCCCl PI-28023 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.4 CCCCCB(O)O PI-37261 [0,0,1,0,0,0|2,0,1]=4 49 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,0,1,0,0,0|1,0,2]=4 50 B7R0.4 CCCCNC(=S)N PI-23056 [0,0,1,0,0,0|1,1,0]=3 51 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,0,1,0,0,0|2,1,0]=4 52 B7R0.4 CCCOCC(=O)O PI-32592 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.4 COCCOC(=O)C PI-12910 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.4 NCCCCC(=O)O PI-30804 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.4 OC(=O)CCCCN PI-40783 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.7 CCCC(=O)OCCl PI-36667 [0,0,1,0,0,0|2,0,0]=3 58 B7R0.7 CCCC(CCC)N PI-15988 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.7 CCOC(=O)C#CC PI-22064 [0,0,1,0,0,0|1,0,2]=4 60 B7R0.7 CCOC(=O)COC PI-50353 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.7 CCOC(=O)CSC PI-39857 [0,0,1,0,0,0|2,0,0]=3 62 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,0,1,0,0,0|2,0,1]=4 63 B7R0.7 CNCC(=O)OCC PI-30682 [0,0,1,0,0,0|2,0,0]=3 64 B7R0.7 NCCC(=O)OCC PI-33213 [0,0,1,0,0,0|2,0,0]=3 65 B7R0.7 OCCC(=O)OCC PI-39562 [0,0,1,0,0,0|2,0,0]=3 66 B7R1.3 BrC1CCCOC1 PI-35181 [0,0,0,0,1,0|2,0,1]=4 67 B7R1.3 BrC1CCOCC1 PI-35207 [0,0,0,0,1,0|2,0,1]=4 68 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,0,1,0|1,0,0]=2 69 B7R1.3 C1CC(CNC1)Br PI-13262 [0,0,0,0,1,0|2,0,1]=4 70 B7R1.3 C1CC(CNC1)F PI-48937 [0,0,0,0,1,0|2,0,1]=4 71 B7R1.3 C1CC(CNC1)N PI-11065 [0,0,0,0,1,0|2,0,1]=4 72 B7R1.3 C1CC(CNC1)N PI-27492 [0,0,0,0,1,0|2,0,1]=4 73 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,0,1,0|1,0,2]=4 74 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,0,1,0|1,0,2]=4 75 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,0,1,0|1,0,2]=4 76 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,0,1,0|1,0,1]=3 77 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,0,1,0|2,0,0]=3 78 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,0,1,0|2,0,0]=3 79 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,0,1,0|0,0,0]=1 80 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,0,1,0|1,0,1]=3 81 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,0,1,0|1,0,1]=3 82 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,0,1,0|0,0,2]=3 83 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,0,1,0|1,0,0]=2 84 B7R1.3 C1CNCCC1Br PI-34736 [0,0,0,0,1,0|2,0,1]=4 85 B7R1.3 C1CNCCC1Cl PI-13260 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.3 C1CNCCC1F PI-48939 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.3 C1CNCCC1N PI-12453 [0,0,0,0,1,0|2,0,1]=4 88 B7R1.3 C1CNCCC1N PI-43332 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.3 C1CNCCC1O PI-43307 [0,0,0,0,1,0|1,0,2]=4 90 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,0,1,0|1,0,2]=4 91 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,0,1,0|1,0,0]=2 92 B7R1.3 C1COCCC1Cl PI-45093 [0,0,0,0,1,0|2,0,1]=4 93 B7R1.3 C1COCCC1I PI-45407 [0,0,0,0,1,0|2,0,1]=4 94 B7R1.3 C1COCCN1N PI-33201 [0,0,0,0,1,0|3,0,0]=4 95 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,0,0,0,1,0|2,0,1]=4 96 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,0,1,0|2,0,0]=3 97 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,0,1,0|2,0,0]=3 98 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,0,1,0|1,0,1]=3 99 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,0,1,0|2,0,1]=4 100 B7R1.3 CC1CNCCN1 PI-31297 [0,0,0,0,1,0|2,0,1]=4 101 B7R1.3 CC1CNCCN1 PI-33175 [0,0,0,0,1,0|2,0,1]=4 102 B7R1.3 CN1CCNCC1 PI-50345 [0,0,0,0,1,0|3,0,0]=4 103 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,0,0,0,1,0|2,0,1]=4 104 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,0,1,0|1,0,1]=3 105 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,0,0,0,1,0|2,0,1]=4 106 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,0,1,0|1,0,1]=3 107 B7R1.3 NC1CCCNC1 PI-13253 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.3 NC1CCOCC1 PI-14135 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.3 NC1CCOCC1 PI-39008 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,0,0,0,1,0|2,0,1]=4 111 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,0,0,0,1,0|2,0,1]=4 112 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,0,1,0|1,0,2]=4 113 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,0,1,0|1,0,0]=2 114 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,0,1,0|1,0,0]=2 115 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,0,1,0|1,0,0]=2 116 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,0,1,0|1,0,0]=2 117 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,0,1,0|1,0,0]=2 118 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,0,1,0|1,0,0]=2 119 B7R1.3 O=C1COCCN1 PI-38277 [0,0,0,0,1,0|1,0,0]=2 120 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,0,1,0|2,0,0]=3 121 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,0,0,1,0|1,0,0]=2 122 B7R1.3 OC1CCNCC1 PI-31377 [0,0,0,0,1,0|1,0,2]=4 123 B7R1.3 OC1CCOCC1 PI-37145 [0,0,0,0,1,0|1,0,2]=4 124 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,0,1,0|1,0,2]=4 125 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,0,0,0,0,1|0,0,0]=1 126 B6R0.6 BrCCCCC=C PI-39147 [1,0,1,0,0,0|1,0,1]=4 127 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.6 C(CCN)CCN PI-46858 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.6 C(CCO)CCCl PI-44261 [1,0,1,0,0,0|1,0,1]=4 130 B6R0.6 C(CCS)CCS PI-11006 [1,0,1,0,0,0|1,1,0]=4 131 B6R0.6 C(COCCN)N PI-47125 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.6 CCCCCCN PI-46860 [1,0,1,0,0,0|0,0,1]=3 133 B6R0.6 CCCCCNC PI-21907 [1,0,1,0,0,0|0,0,1]=3 134 B6R0.6 CCCSCCC PI-48482 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,1,0,0,0|0,0,2]=4 136 B6R0.6 CNCCCNC PI-32197 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.6 ClCCCCC=O PI-34745 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.6 ClCCCCCBr PI-10753 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 C(C(=O)NCO)Cl PI-29429 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 C(CS)C(=O)NN PI-50543 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.1 CCCC(=O)NN PI-23070 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.1 CCCC(=O)SC PI-48512 [1,0,1,0,0,0|1,0,0]=3 143 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.1 CCOC(=O)NC PI-50343 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.1 CNCC(=O)OC PI-45586 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.1 COC(=O)CCN PI-31148 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.1 COCC(=O)NN PI-50354 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.1 NNC(OCC)=O PI-28515 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.1 O=C(OC)CCO PI-41038 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.4 CC(NCCS)=O PI-37034 [1,0,1,0,0,0|1,0,0]=3 152 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,1,0,0,0|1,0,0]=3 153 B6R0.4 CCCCC(C)O PI-42555 [1,0,1,0,0,0|0,0,2]=4 154 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,1,0,0,0|0,0,2]=4 155 B6R0.4 CCCNC(=O)N PI-19783 [1,0,1,0,0,0|1,0,0]=3 156 B6R0.4 CCNCC(=O)O PI-43211 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.4 CSCCC(=O)O PI-31992 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.4 NCCCC(=O)O PI-35917 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 OCCCC(=O)C PI-13555 [1,0,1,0,0,0|1,0,0]=3 163 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,1,1,0,0,0|1,0,1]=4 164 B8R0.4 CCCCCC=CCO PI-26231 [0,1,1,0,0,0|1,0,1]=4 165 B8R0.4 CCCCC\C=C\C=O PI-38486 [0,1,1,0,0,0|1,0,0]=3 166 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,1,1,0,0,0|1,0,1]=4 167 B8R0.6 CCCCCC(C=C)O PI-39433 [0,1,1,0,0,0|2,0,0]=4 168 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,1,1,0,0,0|2,0,0]=4 169 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,1,1,0,0,0|1,0,0]=3 170 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,1,0,0,0|1,0,0]=3 171 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.7 CC(=O)OCCCSC PI-35854 [0,1,1,0,0,0|2,0,0]=4 173 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,1,0,0,0|1,0,0]=3 174 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,1,1,0,0,0|1,0,0]=3 175 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,1,1,0,0,0|1,1,0]=4 176 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.7 CCOCCOC(C)=O PI-12911 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.7 NC(NCCCCN)=N PI-42210 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,1,0,0,0|0,0,0]=2 180 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,1,1,0,0,0|1,0,0]=3 188 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,1,1,0,0,0|1,0,1]=4 189 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,1,1,0,0,0|1,0,1]=4 190 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,1,0,0,0|1,0,0]=3 191 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,1,0,0,0|1,0,0]=3 192 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,1,0,0,0|2,0,0]=4 193 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,1,1,0,0,0|1,0,1]=4 195 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,1,1,0,0,0|1,0,1]=4 197 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,1,1,0,0,0|1,0,1]=4 198 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,1,1,0,0,0|1,0,0]=3 199 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.22 CCCN(CCC)N=O PI-47047 [0,1,1,0,0,0|2,0,0]=4 201 B8R1.2 BrCC1CCCCC1 PI-33021 [0,1,0,0,1,0|1,0,1]=4 202 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,1,0,0,1,0|1,0,1]=4 203 B8R1.2 C1CCC(CC1)CI PI-44086 [0,1,0,0,1,0|1,0,1]=4 204 B8R1.2 C1CCC(CC1)NN PI-17833 [0,1,0,0,1,0|1,0,1]=4 205 B8R1.2 C1CCC(CC1)NO PI-17940 [0,1,0,0,1,0|0,0,2]=4 206 B8R1.2 C1CCC(CC1)ON PI-47245 [0,1,0,0,1,0|0,0,2]=4 207 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,0,1,0|1,0,0]=3 208 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,0,1,0|0,0,1]=3 209 B8R1.2 C1CCNC(C1)CO PI-11061 [0,1,0,0,1,0|0,0,2]=4 210 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,0,1,0|1,0,1]=4 211 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,1,0,0,1,0|2,0,0]=4 212 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,0,1,0|1,0,1]=4 213 B8R1.2 CCC1CCCCN1 PI-11060 [0,1,0,0,1,0|1,0,1]=4 214 B8R1.2 NCC1CCCCC1 PI-34207 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.2 NCC1CCCCN1 PI-11059 [0,1,0,0,1,0|1,0,1]=4 216 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,0,1,0|0,0,1]=3 217 B8R1.2 OCC1CCCCC1 PI-15325 [0,1,0,0,1,0|0,0,2]=4 218 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,0,1,0|1,0,1]=4 219 B8R1.3 C1CC(CCC1N)O PI-10861 [0,1,0,0,1,0|0,0,2]=4 220 B8R1.3 C1CC(CCC1N)O PI-45759 [0,1,0,0,1,0|0,0,2]=4 221 B8R1.3 C1CC(CCC1O)O PI-47036 [0,1,0,0,1,0|0,0,2]=4 222 B8R1.3 C1CC(NCC1Br)Br PI-13266 [0,1,0,0,1,0|1,0,1]=4 223 B8R1.3 C1CC(NCC1Cl)N PI-14911 [0,1,0,0,1,0|1,0,1]=4 224 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,0,1,0|0,0,0]=2 225 B8R1.3 CC1CCC(CC1)N PI-12652 [0,1,0,0,1,0|1,0,1]=4 226 B8R1.3 CC1CCC(CC1)N PI-13103 [0,1,0,0,1,0|1,0,1]=4 227 B8R1.3 CC1CCC(CC1)N PI-13124 [0,1,0,0,1,0|1,0,1]=4 228 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,0,1,0|1,0,0]=3 229 B8R1.3 CN1CCC(CC1)Cl PI-12517 [0,1,0,0,1,0|2,0,0]=4 230 B8R1.3 CN1CCC(CC1)Cl PI-16023 [0,1,0,0,1,0|2,0,0]=4 231 B8R1.3 CN1CCC(CC1)N PI-14111 [0,1,0,0,1,0|2,0,0]=4 232 B8R1.3 CN1CCC(CC1)O PI-43240 [0,1,0,0,1,0|2,0,0]=4 233 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,1,0,0,1,0|0,0,2]=4 234 B8R1.3 NC1CCC(CC1)N PI-37998 [0,1,0,0,1,0|1,0,1]=4 235 B8R1.3 NC1CCC(CC1)O PI-17554 [0,1,0,0,1,0|0,0,2]=4 236 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,1,0,0,1,0|0,0,2]=4 237 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,1,0,0,1,0|0,0,2]=4 238 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,1,0,0,1,0|1,0,1]=4 239 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,1,0,0,1,0|0,0,1]=3 240 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,1,0,0,1,0|0,0,2]=4 241 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,0,1,0|0,0,2]=4 242 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,0,1,0|0,0,1]=3 243 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,1,0,0,1,0|0,0,2]=4 244 B8R1.4 C1CC(NC(C1)Br)Br PI-13265 [0,1,0,0,1,0|1,0,1]=4 245 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,0,1,0|0,0,0]=2 246 B8R1.4 CC1CCNC(C1)C PI-11063 [0,1,0,0,1,0|1,0,1]=4 247 B8R1.4 CN1CCCC(C1)N PI-43339 [0,1,0,0,1,0|2,0,0]=4 248 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,0,1,0|0,0,1]=3 249 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,0,1,0|1,0,0]=3 250 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,0,1,0|0,0,1]=3 251 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,0,1,0|1,0,0]=3 252 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,0,1,0|0,0,0]=2 253 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,0,1,0|1,0,0]=3 254 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,0,1,0|0,0,0]=2 255 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,1,0,0,1,0|0,0,2]=4 256 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,1,0,0,1,0|0,0,2]=4 257 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,1,0,0,1,0|0,0,2]=4 258 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,0,1,0|1,0,0]=3 259 B8R1.5 CC1=NCCCN1C PI-44800 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.5 CC1=NCCCN1C PI-44822 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.5 CC1CCCCC1N PI-13571 [0,1,0,0,1,0|1,0,1]=4 262 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,0,1,0|1,0,0]=3 263 B8R1.5 NC1CCCCC1O PI-17286 [0,1,0,0,1,0|0,0,2]=4 264 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,1,0,0,1,0|1,0,1]=4 265 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,1,0,0,1,0|1,0,1]=4 266 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,1,0,0,1,0|1,0,1]=4 267 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,1,0,0,1,0|1,0,1]=4 268 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,1,0,0,1,0|1,0,1]=4 269 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,1,0,0,1,0|0,0,2]=4 270 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,1,0,0,1,0|0,0,2]=4 271 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,0,1,0|0,0,1]=3 272 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,0,1,0|1,0,0]=3 273 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,0,1,0|0,0,0]=2 274 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,1,0,0,1,0|0,0,2]=4 275 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-44561 [0,1,0,0,1,0|1,1,0]=4 276 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-45179 [0,1,0,0,1,0|1,1,0]=4 277 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,1,0,0,1,0|0,0,2]=4 279 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,0,1,0|2,0,0]=4 280 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,1,0,0,1,0|2,0,0]=4 281 B10R1.161 C1CCCC(=NO)CCC1 PI-30055 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.348 B(C1=CCCCCC1)(O)O PI-18922 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,2,0,0,0,0|1,0,1]=4 284 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,0,1,1,0,0|2,0,0]=4 285 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,0,1,1,0,0|0,0,2]=4 286 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,0,1,1,0,0|0,0,2]=4 287 B8R1.11 CCN1CCCC1=O PI-12779 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,1,1,0,0|1,0,0]=3 290 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,0,1,1,0,0|0,0,2]=4 291 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,1,1,0,0|1,0,0]=3 293 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,0,1,1,0,0|1,0,0]=3 298 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,0,1,1,0,0|1,0,1]=4 299 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,0,1,1,0,0|2,0,0]=4 303 B8R1.7 C1COCC1C(=O)O PI-42680 [0,0,1,1,0,0|2,0,0]=4 304 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,1,1,0,0|1,0,0]=3 305 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,0,1,1,0,0|2,0,0]=4 306 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,0,1,1,0,0|1,0,0]=3 307 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,0,1,1,0,0|1,0,0]=3 308 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,0,1,1,0,0|1,0,0]=3 309 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,0,1,1,0,0|1,0,0]=3 310 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,0,1,1,0,0|1,0,0]=3 311 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,1,1,0,0|2,0,0]=4 312 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,0,1,1,0,0|2,0,0]=4 313 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,0,1,1,0,0|1,0,0]=3 315 B10R2.61 C1CC2CC(C1)OC2=O PI-34881 [0,1,0,1,0,0|1,0,0]=3 316 B10R2.42 O=C1OC(=O)C2CCC12 PI-17951 [0,1,0,1,0,0|1,0,1]=4 317 B6R1.1 C1CCSCS1 PI-25616 [1,0,0,0,1,0|2,0,0]=4 318 B6R1.1 C1CNCCS1 PI-15689 [1,0,0,0,1,0|1,0,0]=3 319 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,0,1,0|1,0,1]=4 320 B6R1.1 C1COCCN1 PI-42536 [1,0,0,0,1,0|1,0,0]=3 321 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,0,1,0|2,0,0]=4 322 B6R1.1 C1CSCCS1 PI-25617 [1,0,0,0,1,0|2,0,0]=4 323 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,0,2,0|1,0,0]=3 324 B6R1.2 C1CSC(=S)N1 PI-33314 [0,0,0,0,2,0|1,1,0]=4 325 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,0,2,0|1,0,0]=3 326 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,0,2,0|1,0,1]=4 327 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,0,2,0|1,0,1]=4 328 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,0,2,0|2,0,0]=4 329 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,0,2,0|2,0,0]=4 330 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,0,2,0|0,0,2]=4 331 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,0,2,0|1,0,0]=3 332 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,0,2,0|1,0,0]=3