0 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 BrCCCCC(=O)O PI-11341 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 C#CCCCC(O)=O PI-37286 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.4 CC(=O)CCCCCl PI-28023 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CCCCCB(O)O PI-37261 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CCCCNC(=S)N PI-23056 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,0,0,0,0,0|1,1,0]=2 11 B7R0.4 CCCOCC(=O)O PI-32592 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 CN(C)CCCCN PI-23376 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 CNCCCN(C)C PI-19630 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 COCCOC(=O)C PI-12910 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.4 NCCCCC(=O)O PI-30804 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.4 OC(=O)CCCCN PI-40783 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 B(CCCC)(O)O PI-16470 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 C#CCCC(=O)O PI-30018 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CC(NCCS)=O PI-37034 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC=CCC(=O)O PI-47130 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.4 CCCNC(=O)N PI-19783 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CCNCC(=O)O PI-43211 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CN(C)CCCCl PI-50389 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CN(C)CCCO PI-31996 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CNCCN(C)C PI-39257 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.4 CSCCC(=O)O PI-31992 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 ClCCCN(C)C PI-34098 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 NCCCC(=O)O PI-35917 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 OCCCC(=O)C PI-13555 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 [O-]C(=O)CNCO PI-36238 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 BrCCCCC=C PI-39147 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|1,1,1]=4 44 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 ClCCCCC=O PI-34745 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.6 CCCCNC(=S)NN PI-23055 [0,1,0,0,0,0|2,1,0]=4 53 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.7 CC(=CCCCC=C)C PI-39645 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.7 CC(=O)OCCCSC PI-35854 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.7 CC(NCCCCO)C PI-39829 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,1,0,0,0,0|1,1,0]=3 64 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.7 CCOCCOC(C)=O PI-12911 [0,1,0,0,0,0|0,0,0]=1 66 B8R0.7 ClCOCCOC(=O)C PI-36404 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.7 NC(NCCCCN)=N PI-42210 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.21 CS(=O)(OCCOC)=O PI-37108 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.7 C1COCC1C(=O)O PI-42680 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|0,0,2]=3 119 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,0,0,1,0,0|2,0,0]=3 123 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 128 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 131 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 132 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,0]=2 133 B5R0.1 CCOC(=S)[S-] PI-47063 [2,0,0,0,0,0|1,1,0]=4 134 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|1,1,0]=4 135 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|0,1,0]=3 136 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|1,1,0]=4 137 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 147 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|1,1,0]=4 150 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.3 CCCCC(=O)NN PI-50263 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.3 COC(=O)CCC#C PI-39349 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.3 COC(=O)CCC=O PI-48276 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 COC(=O)CCCBr PI-44980 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.3 COC(=O)CCCN PI-42165 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 COC(=O)CCSC PI-45979 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.3 COCCC(=O)NN PI-50294 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.3 O=C(OC)CCNC PI-40057 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [1,1,0,0,0,0|2,0,0]=4 171 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.5 COCC(C(=O)O)N PI-14934 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.5 COCC(C(=O)O)N PI-14935 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.6 CC(=O)OCC(=O)O PI-26120 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.6 CC(C)CCC(C)N PI-49380 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.6 CC(C)CCC(C)O PI-30803 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,1,0,0,0,0|0,0,2]=4 200 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [1,1,0,0,0,0|1,1,0]=4 202 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.1 CCCCCN=C=O PI-11407 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.1 COCCCCCBr PI-50168 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.1 OCCCCOC=C PI-12738 [1,1,0,0,0,0|0,0,1]=3 207 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|1,0,1]=4 208 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|0,0,1]=3 217 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|0,0,0]=2 220 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|0,0,1]=3 225 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|1,0,0]=3 228 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,2,0,0,0,0|0,0,0]=2 237 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,2,0,0,0,0|2,0,0]=4 245 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.51 CCCCC(C)(C)C(=O)O PI-21952 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.56 CC(=O)OCC[Si](Cl)(Cl)Cl PI-45083 [0,2,0,0,0,0|1,1,0]=4 251 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|0,0,2]=4 255 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.3 C1COC(=O)C=C1 PI-47083 [1,0,0,1,0,0|0,0,2]=4 272 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.3 C=C1CCNCC1 PI-41106 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.3 CC1=CCOCC1 PI-42722 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,0]=2 279 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.10 O=C1CC(OC)C1 PI-46660 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.14 CC1(O)CCCC1 PI-36469 [1,0,0,1,0,0|0,0,2]=4 291 B7R1.14 C[Si]1(CCCC1)C PI-45650 [1,0,0,1,0,0|1,1,0]=4 292 B7R1.14 O=S1(=O)CCCO1 PI-32116 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.1 C1CCN(C1)N=O PI-47048 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.1 C1COCC1CBr PI-42703 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.1 C1COCC1CCl PI-42702 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.1 C1COCC1CO PI-41224 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.1 ICC1COCC1 PI-42704 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.1 O=CC1=CCCC1 PI-39104 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.1 OCC1CC=CC1 PI-35499 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|0,0,2]=4 315 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|0,0,2]=4 316 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 CC1C(CCO1)S PI-14229 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,0,1]=4 322 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|0,0,0]=2 324 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.13 CC(=O)NC1CCNC1 PI-26105 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.13 CC(=O)NC1CCNC1 PI-26911 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.13 CC(=O)NC1CCNC1 PI-27087 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.41 CC(=O)N1CCCC1=O PI-29978 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.53 CC(=O)OC1CC(=O)N1 PI-24294 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 345 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.80 C=CC(=O)OCC1CO1 PI-19043 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.6 C1CCC(=CC1)C(=O)O PI-34191 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.6 C1CN(CCN1)C(=O)N PI-45618 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.6 C1CNCCC1C(=O)O PI-10271 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.6 C1CNCCC1C(=O)O PI-32117 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.6 C1COCCC1C(=O)N PI-40557 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.6 C1CSCCC1C(=O)O PI-48819 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.6 CC(C1CCOCC1)=O PI-42683 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.6 ClC(=O)N1CCOCC1 PI-34246 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,1,0,1,0,0|1,1,0]=4 394 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,1,0,1,0,0|1,1,0]=4 395 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.163 C1CCC(C1)(C(=O)N)N PI-12587 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [0,1,0,1,0,0|2,0,0]=4