0 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 BrCCCCC(=O)O PI-11341 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 C#CCCCC(O)=O PI-37286 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CC(=O)CCCCCl PI-28023 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCCCCB(O)O PI-37261 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,0,0,0,0,0|0,0,2]=2 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|2,1,0]=3 11 B7R0.4 CCCOCC(=O)O PI-32592 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 CN(C)CCCCN PI-23376 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.4 CNCCCN(C)C PI-19630 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.4 COCCOC(=O)C PI-12910 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 NCCCCC(=O)O PI-30804 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.4 O=C(O)CNCC=C PI-37297 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 OC(=O)CCCCN PI-40783 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 B(CCCC)(O)O PI-16470 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 C#CCCC(=O)O PI-30018 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,0,0,0,0,0|2,0,1]=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#N PI-22651 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 BrCCCCC=C PI-39147 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 C#CCCCCO PI-40904 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 C(CCN)CCN PI-46858 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 C(CCO)CCCl PI-44261 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 C(CCS)CCS PI-11006 [1,0,0,0,0,0|1,1,1]=4 47 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|1,1,1]=4 50 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.6 CCNCCC#N PI-19315 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.6 ClCCCCC#C PI-19028 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 ClCCCCC=O PI-34745 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.6 ClCCCCCBr PI-10753 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.6 CCCCCC(=O)NN PI-50287 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.6 CCCCCC(C=C)O PI-39433 [0,1,0,0,0,0|0,0,3]=4 70 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,1,0,0,0,0|0,0,3]=4 72 B8R0.6 CCCCNC(=S)NN PI-23055 [0,1,0,0,0,0|2,1,0]=4 73 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.7 CC(=CCCCC=C)C PI-39645 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.7 CC(=O)OCCCSC PI-35854 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.7 CC(NCCCCO)C PI-39829 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,1,0,0,0,0|1,1,0]=3 85 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.7 CCOCCOC(C)=O PI-12911 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.7 ClCOCCOC(=O)C PI-36404 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.7 NC(NCCCCN)=N PI-42210 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.7 O=C(O)CCCCCN PI-41159 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.7 O=C(O)COCCCC PI-32593 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.21 CS(=O)(OCCOC)=O PI-37108 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.21 C[Si](C)(CCCCCl)Cl PI-23671 [0,1,0,0,0,0|2,1,0]=4 105 B8R0.21 OP(CCCCN)(O)=O PI-40605 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.28 CC(=C)CNCC(=C)C PI-41123 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,1,0,0,0,0|0,0,1]=2 109 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,1,0,0,0,0|0,0,0]=1 111 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 CN1CCC(C1)CN PI-23405 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.4 CC1CC(CNC1)C PI-32523 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.4 CC1CN(CCN1)C PI-40975 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.4 CC1CNCC(N1)C PI-11769 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 CN1CCCC(C1)N PI-43339 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,1,0,0|1,0,1]=3 132 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.7 C1COCC1C(=O)O PI-42680 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,0,1,0,0|0,0,0]=1 147 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,0,0,1,0,0|1,0,0]=2 148 B8R1.7 CN(C)C1CCNC1 PI-23404 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.7 CN([C@@H]1CNCC1)C PI-23407 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.7 ClP([CH-]1[CH2-][CH2-][CH2-][CH2-]1)Cl Cl.[Fe+2] [0,0,0,1,0,0|3,0,0]=4 152 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 OB(O)C1CCCC1 PI-20922 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|0,0,2]=3 161 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.36 CCCNCC1CC1 PI-13558 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.72 C1CCNCC1(C)C PI-38949 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-44561 [0,0,0,1,0,0|2,1,0]=4 171 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-45179 [0,0,0,1,0,0|2,1,0]=4 172 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.72 CC1(C)CCNCC1 PI-40549 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.72 CC1(CCCNC1)O PI-43320 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.72 CC1(CCCNC1)O PI-43321 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.72 CC1(CCNCC1)O PI-43202 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,0,0,1,0,0|0,0,2]=3 178 B8R1.72 CC1(O)CCNCC1 PI-42681 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.72 C[N+]1(CCOCC1)[O-] PI-44975 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.72 NC1(C)CCOCC1 PI-40814 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.72 [O-][N+]1(C)CCOCC1 PI-30861 [0,0,0,1,0,0|2,0,1]=4 184 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 189 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 192 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 193 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|1,0,0]=3 194 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|1,0,0]=3 195 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 C(CCBr)CCl PI-15812 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 C(CCBr)CN PI-46910 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.2 C(CCS)CS PI-11005 [2,0,0,0,0,0|1,1,0]=4 209 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|1,0,1]=4 212 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,1]=4 219 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|1,0,0]=3 220 B5R0.2 FCCCCBr PI-14440 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|1,0,1]=4 222 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|1,0,1]=4 224 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.3 CCCCC(=O)NN PI-50263 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.3 COC(=O)CCC#C PI-39349 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.3 COC(=O)CCC=O PI-48276 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.3 COC(=O)CCCBr PI-44980 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.3 COC(=O)CCCN PI-42165 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.3 COC(=O)CCSC PI-45979 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.3 COCCC(=O)NN PI-50294 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.3 O=C(OC)CCNC PI-40057 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.5 COCC(C(=O)O)N PI-14934 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.5 COCC(C(=O)O)N PI-14935 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|0,0,1]=3 261 B7R0.6 CC(=O)NCC(=O)C PI-36400 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.6 CC(C)CCC(C)N PI-49380 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.6 CC(C)CCC(C)O PI-30803 [1,1,0,0,0,0|0,0,2]=4 266 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [1,1,0,0,0,0|1,1,0]=4 269 B7R0.1 BrCCCCCC#N PI-21504 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.1 C(CCCBr)CCO PI-39099 [1,1,0,0,0,0|0,0,2]=4 271 B7R0.1 C(CCCCl)CCCl PI-44616 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.1 C(CCCS)CCO PI-40491 [1,1,0,0,0,0|0,0,2]=4 273 B7R0.1 C(CCCS)CCS PI-35928 [1,1,0,0,0,0|0,1,1]=4 274 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|0,0,1]=3 275 B7R0.1 CCCCCN=C=O PI-11407 [1,1,0,0,0,0|0,0,1]=3 276 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.1 CCCSSCCC PI-48483 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.1 COCCCCCBr PI-50168 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.1 OCCCCCCCl PI-37141 [1,1,0,0,0,0|0,0,2]=4 280 B7R0.1 OCCCCCCN PI-40365 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.1 OCCCCOC=C PI-12738 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|0,0,1]=3 283 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|0,0,2]=4 284 B7R0.7 COCC(N)COC PI-36402 [1,1,0,0,0,0|2,0,0]=4 285 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,2,0,0,0,0|1,0,0]=3 287 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|0,0,1]=3 291 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.5 CCCCCC(C)N=C=S PI-15991 [0,2,0,0,0,0|0,1,1]=4 300 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.46 CCCCCCC(CO)O PI-44204 [0,2,0,0,0,0|0,0,2]=4 309 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.46 COC(=O)CCCCCO PI-45931 [0,2,0,0,0,0|0,0,0]=2 311 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,2,0,0,0,0|0,0,0]=2 312 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,2,0,0,0,0|1,1,0]=4 321 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.2 NCCCCCNC(=N)N PI-22838 [0,2,0,0,0,0|2,0,0]=4 325 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.2 O=S(CCCCN=C=S)C PI-37074 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.2 O=S(CCCCN=C=S)C PI-41535 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.38 CCCCCCS(=O)(=O)Cl PI-20719 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.38 CCCCCCS(=O)(=O)[O-] PI-36859 [0,2,0,0,0,0|2,0,0]=4 331 B9R0.38 CCCCCC[Si](Cl)(Cl)C PI-38996 [0,2,0,0,0,0|1,1,0]=4 332 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [0,2,0,0,0,0|2,0,0]=4 342 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.51 CCCCC(C)(C)C(=O)O PI-21952 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.56 CC(C)(C)OCCC(=O)O PI-22867 [0,2,0,0,0,0|2,0,0]=4 345 B9R0.56 OC(=O)CCCC(F)(F)F PI-39036 [0,2,0,0,0,0|2,0,0]=4 346 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|0,0,2]=4 349 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 361 B7R1.3 C1CCN(CC1)N PI-34077 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.3 C1CCN(CC1)N PI-43331 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.3 C=C1CCNCC1 PI-41106 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.3 C=C1CCOCC1 PI-42723 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.3 CC1=CCOCC1 PI-42722 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.10 O=C1CC(OC)C1 PI-46660 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.12 C1C(C1F)C(=O)O PI-48944 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.14 CC1(O)CCCC1 PI-36469 [1,0,0,1,0,0|0,0,2]=4 384 B7R1.14 C[Si]1(CCCC1)C PI-45650 [1,0,0,1,0,0|1,1,0]=4 385 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,1,0,0|0,0,2]=4 394 B7R1.1 C1CCC(C1)ON PI-47243 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.1 C1CCN(C1)N=O PI-47048 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.1 C1CNCC1CO PI-40189 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.1 C1CNCC1CO PI-40190 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.1 C1COCC1CBr PI-42703 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.1 C1COCC1CCl PI-42702 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.1 C1COCC1CO PI-41224 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.1 ICC1COCC1 PI-42704 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.1 NNC1CCCC1 PI-36366 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.1 NNC1CCCC1 PI-38997 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.1 O=CC1=CCCC1 PI-39104 [1,0,0,1,0,0|0,0,2]=4 406 B7R1.1 OCC1CC=CC1 PI-35499 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.6 NCCC1COC1 PI-36429 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.6 OCCC1COC1 PI-36428 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|2,0,0]=4 420 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,1,0,1,0,0|0,0,0]=2 422 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.13 CC(=O)NC1CCNC1 PI-26105 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.13 CC(=O)NC1CCNC1 PI-26911 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.13 CC(=O)NC1CCNC1 PI-27087 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.13 CN(C)CC1CNCC1 PI-36290 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,1,0,0|0,0,1]=3 431 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.41 CC(=O)N1CCCC1=O PI-29978 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|0,0,1]=3 436 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,1,0,1,0,0|0,0,0]=2 437 B9R1.171 [O-][N+](=O)CC1(O)CCC1 PI-36090 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|0,0,0]=2 439 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.2 CCN1CCCC(C1)N PI-35816 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.2 CCN1CCCC(C1)O PI-43238 [0,1,0,1,0,0|0,0,2]=4 445 B9R1.2 CN1CCCC(C1)CO PI-46014 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.3 CN1CCCN(C)C1=O PI-34014 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.3 O=C1CCCC(=O)C1C PI-21904 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|0,0,0]=2 451 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,1,0,0|0,0,2]=4 455 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,1,0,0|0,0,2]=4 456 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.49 CN1CCCC(CC1)O PI-48280 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|0,0,0]=2 466 B9R1.89 C1CNCCN(C1)C=O PI-34065 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.118 C1CCC(CC1)(CN)O PI-17134 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.118 CC1(CCCCC1)CBr PI-36358 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.118 CCC1(O)CCCCC1 PI-29293 [0,1,0,1,0,0|0,0,2]=4 470 B9R1.132 CCC1=C(C(=O)CC1)O PI-47191 [0,1,0,1,0,0|0,0,2]=4 471 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.6 C1CCC(=CC1)C(=O)O PI-34191 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.6 C1CN(CCN1)C(=O)N PI-45618 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.6 C1CNCCC1C(=O)O PI-10271 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.6 C1CNCCC1C(=O)O PI-32117 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.6 C1COCCC1C(=O)N PI-40557 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.6 C1CSCC(N1)C(=O)O PI-17982 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.6 C1CSCCC1C(=O)O PI-48819 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,1,0,1,0,0|0,0,1]=3 487 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.6 CC(C1CCOCC1)=O PI-42683 [0,1,0,1,0,0|0,0,0]=2 493 B9R1.6 CN(C)C1CCCNC1 PI-23400 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.6 CN(C)C1CCCNC1 PI-43350 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.6 CN(C)C1CCNCC1 PI-11072 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.6 CN(C)C1CCNCC1 PI-43349 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.6 ClC(=O)N1CCOCC1 PI-34246 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.6 OC(=O)C1CNCCN1 PI-15698 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.6 OC(=O)C1NCCNC1 PI-10270 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.6 OC(=O)[C@@H]1CNCCN1 PI-10140 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.6 OC(=O)[C@@H]1CSCCN1 PI-36417 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.6 OC(=O)[C@@H]1NCCNC1 PI-10335 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.6 OC(=O)[C@H]1CNCCN1 PI-10164 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.6 OC(=O)[C@H]1NCCNC1 PI-18225 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.35 C1[C@H](CN[C@@H]1C(=O)N)O PI-48950 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,1,0,0|0,0,2]=4 534 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.163 C1CCC(C1)(C(=O)N)N PI-12587 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.163 O=C(C1(N)COCC1)O PI-40281 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.163 OC(=O)C1(C)COCC1 PI-39236 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.10 NC1CCS(=O)(=O)CC1 PI-36390 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.10 NC1CC[S](CC1)(=O)=O PI-40193 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [0,1,0,1,0,0|1,0,1]=4 548 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,2,0,0|0,0,2]=4