0 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCCC(=O)NN PI-50263 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 COC(=O)CCC#C PI-39349 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 COC(=O)CCC=O PI-48276 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 COC(=O)CCCBr PI-44980 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 COC(=O)CCCN PI-42165 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 COC(=O)CCSC PI-45979 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 COCCC(=O)NN PI-50294 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 O=C(OC)CCNC PI-40057 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C(C(=O)NCO)Cl PI-29429 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 C(CS)C(=O)NN PI-50543 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CC#CC(=O)OC PI-48956 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCCC(=O)NN PI-23070 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCCC(=O)SC PI-48512 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCCC(CO)O PI-13556 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 CNCC(=O)OC PI-45586 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 COC(=O)CCN PI-31148 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 COCC(=O)NN PI-50354 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 NNC(OCC)=O PI-28515 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 O=C(OC)CCO PI-41038 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CC(NCCS)=O PI-37034 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 CCCNC(=O)N PI-19783 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CCNCC(=O)O PI-43211 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 CSCCC(=O)O PI-31992 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 NCCCC(=O)O PI-35917 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 OCCCC(=O)C PI-13555 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 BrCCOCCBr PI-13583 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 C(COCCN)N PI-47125 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|0,1,1]=3 46 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,0,0,0,0|0,0,1]=2 49 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.19 CCC(SC(CC)C)C PI-39261 [0,1,0,0,0,0|1,1,1]=4 69 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.5 CC1=NCCCN1C PI-44800 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.5 CC1=NCCCN1C PI-44822 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.5 CC1CNCCC1=O PI-43304 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.5 O=C1CCCCC1=O PI-20909 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.5 O=C1CCOCC1F PI-39023 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 O=C1NCCCC1O PI-41426 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.52 CCC1(CCCC1)O PI-37576 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.52 CC[N+]1(C)CCCC1 PI-36564 [0,0,0,1,0,0|3,0,0]=4 110 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 115 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 119 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,0]=2 120 B5R0.1 CCOC(=S)[S-] PI-47063 [2,0,0,0,0,0|1,1,0]=4 121 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|1,1,0]=4 122 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|0,1,0]=3 123 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|1,1,0]=4 124 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|1,1,0]=4 132 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 134 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|0,0,1]=3 136 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|1,1,0]=4 137 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|1,1,0]=4 138 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.3 CNC(=O)CCl PI-39443 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 COC(=O)C#C PI-35828 [2,0,0,0,0,0|0,0,2]=4 144 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [1,1,0,0,0,0|0,0,2]=4 155 B7R0.5 CCOC(=O)C(=S)N PI-34781 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.5 CCOC(=O)C(Br)F PI-13394 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|0,0,0]=2 158 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|0,0,0]=2 159 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.5 CCOC(=O)C(F)F PI-24421 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.5 CCOC(=O)C(F)I PI-49445 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|0,0,0]=2 164 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|0,0,0]=2 165 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.7 CCCC(=O)OCCl PI-36667 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|0,1,1]=4 169 B7R0.7 CCOC(=O)C#CC PI-22064 [1,1,0,0,0,0|0,0,1]=3 170 B7R0.7 CCOC(=O)COC PI-50353 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.7 CCOC(=O)CSC PI-39857 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.7 CCOC(=O)N=C=S PI-36556 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.7 CNCC(=O)OCC PI-30682 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.7 NCCC(=O)OCC PI-33213 [1,1,0,0,0,0|0,0,0]=2 176 B7R0.7 OCCC(=O)OCC PI-39562 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.10 COC(=O)C(CCl)N PI-28403 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.10 COC(=O)C(CCl)N PI-39772 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.10 COC(=O)C(CCl)N PI-41755 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.10 COC(=O)C(CO)N PI-11634 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 COC(=O)C(CO)O PI-42716 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.10 COC(=O)C(CS)N PI-15751 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|1,1,0]=4 198 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.4 COCCOC(=O)C PI-12910 [1,1,0,0,0,0|0,0,0]=2 200 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|1,0,0]=3 208 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.1 CCCSSCCC PI-48483 [1,1,0,0,0,0|0,1,1]=4 212 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|0,0,1]=3 215 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.18 CCCNC(=S)NCCC PI-19378 [0,2,0,0,0,0|1,1,0]=4 222 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [0,2,0,0,0,0|0,0,1]=3 231 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|0,0,1]=3 232 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.27 CCC(C)C(C(=O)OC)N PI-33216 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|0,0,2]=4 237 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.3 C#CCOC(=O)C(Br)(C)C PI-38457 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.7 CC(C)COC(=O)C(C)Cl PI-15308 [0,2,0,0,0,0|0,0,0]=2 243 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,2,0,0,0,0|0,0,0]=2 244 B9R0.7 CC(CNC(=O)C(=C)C)O PI-19313 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.21 COC(=O)OCC(F)(F)F PI-44558 [0,2,0,0,0,0|2,0,0]=4 249 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|0,0,2]=4 253 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|0,0,0]=2 255 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 C1COC(=O)C=C1 PI-47083 [1,0,0,1,0,0|0,0,2]=4 270 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.3 C=C1CCNCC1 PI-41106 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,0]=2 275 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|0,0,2]=4 289 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|0,0,2]=4 290 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.22 C1CC1C(=O)NN PI-17834 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.14 O=S1(=O)CCCO1 PI-32116 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,0,1]=4 302 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.8 C1COC(OC1)CCBr PI-48812 [0,1,0,1,0,0|0,0,2]=4 305 B9R1.15 C1CCC(=O)C(C1)C#N PI-14655 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.15 COC1CCCCC1=O PI-28180 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.27 CCC1=C(CNC1=O)C PI-16775 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.33 NCCN1CCNC1=O PI-15901 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.3 CN1CCCN(C)C1=O PI-34014 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.80 C=CC(=O)OCC1CO1 PI-19043 [0,1,0,1,0,0|0,0,2]=4 340 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.40 CC1(CNCCC1=O)C PI-50037 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,1,0,1,0,0|1,0,0]=3