0 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.7 CCCC(=O)OCCl PI-36667 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.7 CCCC(CCC)N PI-15988 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 CCCC(S)CCO PI-37281 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.7 CCOC(=O)C#CC PI-22064 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.7 CCOC(=O)COC PI-50353 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.7 CCOC(=O)CSC PI-39857 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 CNCC(=O)OCC PI-30682 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.7 NCCC(=O)OCC PI-33213 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.7 OCCC(=O)OCC PI-39562 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.1 C(C(=O)NCO)Cl PI-29429 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 C(CS)C(=O)NN PI-50543 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CC#CC(=O)OC PI-48956 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.1 CCCC(=O)NN PI-23070 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCCC(=O)SC PI-48512 [1,0,0,0,0,0|0,1,0]=2 18 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCCC(CO)O PI-13556 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 CNCC(=O)OC PI-45586 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 COC(=O)CCN PI-31148 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 COCC(=O)NN PI-50354 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 NNC(OCC)=O PI-28515 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 O=C(OC)CCO PI-41038 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCOC=CC#N PI-37795 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.1 CCOC(=O)C=CC=O PI-40874 [0,1,0,0,0,0|0,0,3]=4 39 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,1,0,0,0,0|0,0,1]=2 41 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.1 CCOCC(C)OCC PI-44418 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|0,0,1]=2 50 B8R0.3 CCOC(=O)C(=NO)Cl PI-19131 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.3 CCOC(=O)C(=NO)N PI-43976 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.3 CCOC(=O)C(=O)NN PI-50272 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.5 CCOC(=O)NC(=O)N PI-47058 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,1,0,0,0,0|0,0,0]=1 70 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.5 [O-][N+](=O)CC(=O)OCC PI-22110 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.22 CCC(OCC)OCC PI-50606 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.22 CCCN(CCC)N=O PI-47047 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.22 CCOC(C#C)OCC PI-40891 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.22 CCOC(CO)OCC PI-11243 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.30 CCOP(=O)(O)OCC PI-41602 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.30 CCO[Si](OCC)(Cl)Cl PI-45052 [0,1,0,0,0,0|2,1,0]=4 79 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|0,0,0]=1 87 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.8 C1COC(O1)CCN PI-17178 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.8 CNCC1CCCO1 PI-45431 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.11 CCN1CCCC1=O PI-12779 [0,0,0,1,0,0|1,0,0]=2 96 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.37 N#CCC(C1CC1)=O PI-37029 [0,0,0,1,0,0|2,0,1]=4 105 B5R0.1 B(CCC)(O)O PI-35885 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 CC#CC(=O)O PI-12861 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 112 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 115 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,0]=2 117 B5R0.1 CCOC(=S)[S-] PI-47063 [2,0,0,0,0,0|1,1,0]=4 118 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|1,1,0]=4 119 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|0,1,0]=3 120 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|1,1,0]=4 121 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 C\C=C\C(=O)O PI-48966 [2,0,0,0,0,0|0,0,2]=4 124 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 OC(CON)=O PI-37190 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|1,1,0]=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|0,0,1]=3 134 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 COCCCCl PI-38032 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 CNC(=O)CCl PI-39443 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.3 COC(=O)C#C PI-35828 [2,0,0,0,0,0|0,0,2]=4 142 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.2 CC(=CC(=O)OC)N PI-13659 [1,1,0,0,0,0|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|0,0,0]=2 146 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|0,0,0]=2 148 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|0,0,0]=2 150 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|0,0,0]=2 153 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.3 CCCCC(=O)NN PI-50263 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.3 COC(=O)CCC#C PI-39349 [1,1,0,0,0,0|0,0,1]=3 158 B7R0.3 COC(=O)CCC=O PI-48276 [1,1,0,0,0,0|0,0,1]=3 159 B7R0.3 COC(=O)CCCBr PI-44980 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.3 COC(=O)CCCN PI-42165 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.3 COC(=O)CCSC PI-45979 [1,1,0,0,0,0|0,0,0]=2 162 B7R0.3 COC(=O)CNC=O PI-33232 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 COC(=O)\C=C\CBr PI-10946 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.3 COCCC(=O)NN PI-50294 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.3 CO\C=C\C(=O)OC PI-37579 [1,1,0,0,0,0|0,0,2]=4 166 B7R0.3 O=C(OC)CCNC PI-40057 [1,1,0,0,0,0|0,0,0]=2 167 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.5 CCOC(=O)C(=S)N PI-34781 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.5 CCOC(=O)C(Br)F PI-13394 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|0,0,0]=2 173 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 CCOC(=O)C(F)F PI-24421 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.5 CCOC(=O)C(F)I PI-49445 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|0,0,0]=2 178 B7R0.10 CC(CBr)C(=O)OC PI-44215 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.10 CC(CO)C(=O)OC PI-44130 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|0,0,0]=2 181 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|0,0,0]=2 182 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|0,0,0]=2 184 B7R0.10 COC(=O)C(=C)CBr PI-10940 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.10 COC(=O)C(=C)CCl PI-41261 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.10 COC(=O)C(=C)CO PI-41263 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.10 COC(=O)C(CCl)N PI-28403 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.10 COC(=O)C(CCl)N PI-39772 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.10 COC(=O)C(CCl)N PI-41755 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.10 COC(=O)C(CO)N PI-11634 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.10 COC(=O)C(CO)O PI-42716 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.10 COC(=O)C(CS)N PI-15751 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.1 CCCSSCCC PI-48483 [1,1,0,0,0,0|1,1,0]=4 199 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.5 CCCCOC(=O)CC#N PI-32785 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [0,2,0,0,0,0|0,0,1]=3 205 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|0,0,1]=3 206 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.18 CCCNC(=S)NCCC PI-19378 [0,2,0,0,0,0|1,1,0]=4 208 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [0,2,0,0,0,0|0,0,1]=3 209 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.34 CCOC(=O)CC(=O)NN PI-40382 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [0,2,0,0,0,0|0,0,0]=2 212 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [0,2,0,0,0,0|0,0,0]=2 213 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [0,2,0,0,0,0|0,0,0]=2 214 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [0,2,0,0,0,0|0,0,0]=2 215 B9R0.34 CCOC(=O)NC(=O)CCl PI-23124 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|0,0,0]=2 218 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,2,0,0,0,0|0,0,1]=3 219 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [0,2,0,0,0,0|1,0,1]=4 220 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.48 CCOC(=O)C=CN(C)C PI-13247 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,2,0,0,0,0|0,0,1]=3 223 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|0,0,1]=3 224 B9R0.66 CCO[Si](C)(C)CCCN PI-45170 [0,2,0,0,0,0|1,1,0]=4 225 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [0,2,0,0,0,0|0,0,1]=3 229 B9R0.19 CCC(C)(C(=O)OCC)Br PI-44081 [0,2,0,0,0,0|0,0,0]=2 230 B9R0.19 CCOC(=O)C(C)(C)CO PI-43282 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.23 CC(C)OC(=O)C(CS)N PI-33219 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.37 CCOC(=O)C(C=O)C=O PI-39019 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.37 CCOC(=O)C(CBr)CBr PI-34801 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.44 C=CCC(=O)OC(C)(C)C PI-36470 [0,2,0,0,0,0|0,0,2]=4 235 B9R0.44 CCOC(=O)CC(C)(C)C PI-50549 [0,2,0,0,0,0|0,0,0]=2 236 B9R0.44 CCOC(=O)CC(C)(C)N PI-45592 [0,2,0,0,0,0|0,0,0]=2 237 B9R0.44 CCOC(=O)CS(=O)(=O)C PI-22100 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.44 CCOC(=O)C[Si](C)(C)C PI-35339 [0,2,0,0,0,0|0,1,0]=3 239 B9R0.44 C\C=C\C(=O)OC(C)(C)C PI-22910 [0,2,0,0,0,0|0,0,2]=4 240 B9R0.44 NCCC(=O)OC(C)(C)C PI-37611 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.53 CC(C)OC(=O)\C=C(\C)/N PI-11272 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.15 CCCC(C(=O)O)CCC PI-21725 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.15 CCCC(C(=O)[O-])CCC PI-12918 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.15 CCCC(CCC)C(=O)O PI-12993 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.59 CCOP(=O)(C#C)OCC PI-40607 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.59 CCOP(=O)(CI)OCC PI-30044 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.59 CCOP(=O)(CO)OCC PI-44903 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.59 CCOP(=O)(CO)OCC PI-44927 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.59 ClCP(=O)(OCC)OCC PI-38764 [0,2,0,0,0,0|2,0,0]=4 250 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|2,0,0]=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|0,0,0]=2 257 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|1,0,1]=4 276 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,0]=2 277 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|0,0,2]=4 291 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|0,0,2]=4 292 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.22 C1CC1C(=O)NN PI-17834 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|0,0,0]=2 298 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,0,1]=4 300 B9R1.15 COC1CCCCC1=O PI-28180 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.27 CCC1=C(CNC1=O)C PI-16775 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.33 C1COC(=O)C1N=C=S PI-20785 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.33 C=CCN1CCCC1=O PI-48184 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.33 NCCN1CCNC1=O PI-15901 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [0,1,0,1,0,0|0,0,0]=2 311 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.5 CN1CCCCCC1=O PI-15330 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.5 CN1CCCNCC1=O PI-34063 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.5 CN1CCNCCC1=O PI-41772 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,1,0,1,0,0|0,0,2]=4 317 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.74 CCOC(=O)C1(CC1)N PI-43116 [0,1,0,1,0,0|0,0,0]=2 319 B9R1.74 CCOC(=O)C1(CC1)N PI-45006 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.74 O=C(C1(C)CC1)OCC PI-17865 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.38 CC1(CC(=O)OC1=C)C PI-27827 [0,1,0,1,0,0|0,0,2]=4 324 B9R1.41 CC(=O)N1CCCC1=O PI-29978 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.41 CC(C)N1CCCC1=O PI-50152 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,1,0,1,0,0|1,0,0]=3 327 B9R2.87 O=C(C1CC1)C2CC2 PI-12799 [0,0,0,2,0,0|1,0,0]=3