0 B5R0.3 BrCC(Br)CBr LL0220 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(O)CC HL2704 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C(CC)CC XJ1324 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 C=CC(=O)OC SY0292 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=CC(C)CC XJ1323 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 C=CC(O)C=C HL0553 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C=CC(O)CO RT18762 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C=C[C@@H](N)CO YH53874 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 C=C[C@H](N)CO LX2169 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CC(CO)CO JZ1881 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CCC(=O)NC JZ4434 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CCC(Br)CC XJ1961 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CCC(C)C=O LL0224 [0,0,0,0,0,0|0,0,0]=0 13 B5R0.3 CCC(C)CBr LQ2987 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CCC(C)CBr LQ3410 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.3 CCC(C)CC LL0223 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 CCC(C)CCl LQ1182 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.3 CCC(C)CO LL0587 [0,0,0,0,0,0|0,0,2]=2 18 B5R0.3 CCC(C)NC LQ3344 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CCC(Cl)CCl LQ1184 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 CCC(N)CC LQ1186 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.3 CCC(N)CO LL0227 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.3 CCC(S)CS XJ4247 [0,0,0,0,0,0|1,1,1]=3 23 B5R0.3 CCN(C)CC LQ1190 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CCN(C)N=O RT17894 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 CCN(O)CC HL2577 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CC[C@@H](C)CO LQ1183 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.3 CC[C@@H](O)CO LQ5013 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.3 CC[C@H](C)CBr LL0949 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.3 CC[C@H](O)CO HL4502 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.3 CC\C(C)=N\O LL0233 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.3 COC(=O)C=O LQ1491 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 CS\C(C)=N/O RT1099 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 C\C(=C/Br)CBr RT0636 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.3 C\C(=C/Br)CO RT0550 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.3 C\C=C(/C)C=O XJ0816 [0,0,0,0,0,0|0,0,2]=2 36 B5R0.3 Cl\C=C(/Cl)CCl LL0226 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 N#CC(Br)CBr HL2792 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.3 NC(CO)CO LL1303 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.3 NCC(O)CN LQ1188 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 NCC(O)CO JZ0486 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.3 NC[C@H](O)CO YH09994 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.3 NC[C@H](O)CO YH45696 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.3 O=CC(Br)CBr LT1309 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 O=CC(O)C=O RT17553 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.3 O=C[C@H](O)CO LT7747 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 OC(CBr)CBr LL0228 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.3 OC(CCl)CCl LL0229 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.3 OCC(Br)CBr LL0222 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.3 OCC(Br)CO RT0384 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 OCC(Cl)CCl LQ1185 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 OCC(Cl)CO RT1084 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 OCC(O)CBr RT0218 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.3 OCC(O)CCl LL0230 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.3 OCC(O)CI RT1254 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.3 OCC(O)CO LT6375 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.3 OCC(O)CO RT14397 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.3 OCC(O)CO XJ4849 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.3 OCC(O)CS LL0232 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 OC[C@H](O)CBr YH33404 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.3 OC[C@H](O)CCl LT5275 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 BrCC(Br)Br LL0122 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 C#CC(=C)C LL0127 [1,0,0,0,0,0|0,0,3]=4 64 B4R0.1 C#CC(C)O JZ2135 [1,0,0,0,0,0|0,0,3]=4 65 B4R0.1 C#C[C@H](C)N RT3964 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 C(=O)N(C)C YH13617 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 C=C(Br)CC LQ4356 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 C=C(C)C#N RT1064 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.1 C=C(C)C=O RT1202 [1,0,0,0,0,0|0,0,2]=3 70 B4R0.1 C=C(C)CC LQ1059 [1,0,0,0,0,0|0,0,1]=2 71 B4R0.1 C=C(C)OC HL1466 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C=C(C)[Mg]Br JZ3721 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 C=C=C(C)C LQ1135 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 C=CC(C)Cl LQ1061 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 CC(=O)CBr LQ1137 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 CC(=O)CN LX3064 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 CC(=O)NBr XJ0071 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(=O)NN LQ1629 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CC(Br)CBr LL0123 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CC(Br)CCl XJ2375 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CC(C)CI HL1913 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.1 CC(C)CS HL1915 [1,0,0,0,0,0|0,1,1]=3 83 B4R0.1 CC(C)NN LQ3967 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(C)NO LT5054 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CC(N)C#N LT6014 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(N)CN YH43801 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(N)CO JZ1400 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(O)CF YH01374 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 CCB(O)O XJ2684 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CCC(=O)Cl YH19012 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CCC(=O)[O-] HL1636 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CCC(=O)[O-] LQ1030 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CCC(C)I LT2185 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CC[C@@H](C)N JZ3698 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 CN(C)N=O RT4837 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 COC(=O)Cl XJ0076 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 COC(C)=N YH35544 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 COC(C)C RT17590 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 COC(Cl)Cl XJ2773 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 COC(N)=O LQ1144 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CSC(C)C LT4098 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CS[S+](C)C HL3015 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 C[C@@H](N)CN YH65431 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 C[C@@H](O)CN LT7643 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 C[C@H](Cl)CO JZ5320 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.1 C[C@H](Cl)CO XJ5311 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 C[C@H](N)CO HL2372 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 C[C@H](N)CO LT7580 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 C[C@H](O)CCl JZ5302 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C\C=C(\C)Br JZ3724 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 ClCC(Cl)Cl LL0136 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 NC(=O)CCl RT4709 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 NCC(=O)O JZ0518 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 NCC(=O)O LQ3009 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 NCC(=O)[O-] JZ1232 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 NCC(=O)[O-] JZ1274 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 NCC(=O)[O-] JZ1346 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 NCC(=O)[O-] JZ1545 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 NCC(=O)[O-] JZ1650 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 NCC(N)=O HL0991 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 NCC(N)=O LQ1139 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 O=C(O)CBr LL0143 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 O=C(O)CF LT5771 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 O=C([O-])CCl LQ2589 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 O=C([O-])CO LQ2283 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 O=C([O-])CO XJ5448 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.1 O=C([O-])CS HL2967 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 O=C([O-])CS LQ1436 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 O=C([O-])CS XJ0675 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 O=C([O-])CS XJ6033 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 O=CC(=O)O LL0641 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 O=CC(=O)O LQ1072 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 O=CC(Cl)Br RT17654 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 O=CC(Cl)Cl RT1083 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 O=[N+]([O-])CBr LQ1065 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 O=[N+]([O-])CCl RT1188 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 [2H]OC(C)=O XJ1316 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 [C@@H](C)(O)CO LQ2624 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 C#CCCC HL0250 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.2 C#CCCO LT6746 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C#CCNC RT0490 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 C=CCC=C HL0109 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.2 C=CCCBr LQ2822 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 C=CCCN LQ2198 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 C=CCOC HL0257 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.2 C=C\C=C\C XJ0878 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 CCCCN LQ2553 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CCCCS LL0387 [1,0,0,0,0,0|0,1,1]=3 149 B4R0.2 CCCC[O-] HL2476 [1,0,0,0,0,0|0,0,2]=3 150 B4R0.2 CCCC[O-] LQ4485 [1,0,0,0,0,0|0,0,2]=3 151 B4R0.2 CCC[Mg]Br LQ1517 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.2 CCC[Mg]Cl XJ2093 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 CCC[Zn-]Br HL3580 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.2 CCOC=N LQ3955 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 CCOC=O LL0396 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.2 CCOCC LL1197 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CCOCC XJ5008 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CCSC#N XJ0959 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CCSSC LQ4240 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.2 CC[AlH3+]CC LL0219 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 CC[N-]CC RT4825 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CC[NH2+]CC XJ6105 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CC[Se]CC RT0534 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 CNCCCl RT4724 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 CNCCCl YH54353 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CNCCN LL0389 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 COCC#N JZ4756 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 COCCN LL0392 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 COCCO XJ3502 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.2 CSCC=O JZ5555 [1,0,0,0,0,0|1,0,0]=2 171 B4R0.2 CSCCO JZ2661 [1,0,0,0,0,0|1,0,2]=4 172 B4R0.2 C\C=C/CO YH00287 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 C\C=C\C=O XJ0511 [1,0,0,0,0,0|0,0,2]=3 174 B4R0.2 C\C=C\CC XJ1213 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.2 C\C=C\CCl HL0110 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 C\C=C\CN YH07653 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 ClCCCI JZ3062 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 Cl\C=C\CCl XJ0956 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 FCCCBr SY0223 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 N#CCCBr JZ2023 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 N#CCCO RT1105 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 NCCCBr HL2839 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 NCCCCl LT6768 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 NCCON RT0317 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.2 NNCCO LT2306 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.2 O=C[N-]C=O YH41619 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 OCCCBr HL0249 [1,0,0,0,0,0|1,0,2]=4 188 B4R0.2 OCCCI HL0254 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 OCCCO XJ0879 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.2 SCCCS LL0388 [1,0,0,0,0,0|1,1,1]=4 191 B6R0.1 BrCCC(Br)CBr LQ4943 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 C#CC(C)CCC LQ5005 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 C#CC(O)CCC XJ0311 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.1 C=CC(=O)OCC XJ0563 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 C=CC(N)CCO YH91593 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.1 C=CCC(O)C=C LQ1497 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 C=COC(=O)CC XJ0313 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 CCC(C)CC=O JZ5060 [0,1,0,0,0,0|0,0,0]=1 200 B6R0.1 CCC(C)CCO HL0061 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.1 CCC(C)CCO LL2797 [0,1,0,0,0,0|0,0,2]=3 202 B6R0.1 CCC(C)CCO LQ4221 [0,1,0,0,0,0|0,0,2]=3 203 B6R0.1 CCCC(Br)CBr JZ2283 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CCCC(C)C#N YH11272 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 CCCC(C)CC HL0060 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.1 CCOC(=O)C=O LQ1498 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.1 CCO\C(C)=N\O JZ3459 [0,1,0,0,0,0|1,0,2]=4 208 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,1,0,0,0,0|0,0,1]=2 209 B6R0.1 CNCC(O)CO LT2424 [0,1,0,0,0,0|1,0,2]=4 210 B6R0.1 COCC(O)CCl HL2667 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 COCC(O)CO LT2370 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.1 COC[C@@H](N)CO LX2569 [0,1,0,0,0,0|1,0,2]=4 213 B6R0.1 CSC(C)CC=O LT2625 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.1 C\C(=C/C#N)CCl RT0093 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 C\C(=C/CBr)CCl RT0131 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.1 N[C@H](CS)CCS RT1463 [0,1,0,0,0,0|1,1,1]=4 218 B6R0.1 OCC[C@@H](O)CO YH14636 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.1 OCC[C@H](O)CO LQ5089 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.3 C#CC(O)C(C)C LL0994 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 C=C(CBr)C(=O)O RT1276 [0,1,0,0,0,0|1,0,2]=4 222 B6R0.3 C=CN(C)C(C)=O JZ2249 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.3 C=C[C@@H](N)C(=O)O YH05396 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.3 C=C[C@H](N)C(=O)O YH15079 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.3 CC(=O)C(=O)CBr YH65550 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 CC(=O)C(C)CO HL2533 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.3 CC(=O)\C(C)=C\[O-] RT1132 [0,1,0,0,0,0|0,0,3]=4 228 B6R0.3 CC(=O)\C(C)=N\O LL0011 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 CC(Br)C(Br)C#N RT17501 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,1,0,0,0,0|0,0,2]=3 231 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,1,0,0,0,0|0,0,2]=3 233 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,1,0,0,0,0|1,0,2]=4 234 B6R0.3 CC(CBr)C(=O)O RT17689 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.3 CC(CN)C(=O)O JZ1399 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.3 CC(CN)C(=O)O RT5016 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 CC(CN)C(=O)O YH46231 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.3 CC(CO)C(=O)O RT16856 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.3 CCC(C)C(=O)Cl LT2056 [0,1,0,0,0,0|0,0,0]=1 240 B6R0.3 CCC(C)C(=O)[O-] LL2514 [0,1,0,0,0,0|0,0,0]=1 241 B6R0.3 CCC(C)C(C)C LL0990 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.3 CCC(Cl)C(=O)O HL2688 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.3 CCC(Cl)C(N)=O XJ3322 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.3 CCC(N)C(=O)O JZ1396 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.3 CCC(N)C(=O)O JZ1397 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [0,1,0,0,0,0|1,0,0]=2 247 B6R0.3 CCC(O)C(C)C LL0993 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 CCC(S)C(C)=O LL1144 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.3 CCN(C)C(=O)Cl RT17546 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [0,1,0,0,0,0|0,0,0]=1 252 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.3 CC[C@H](N)C(N)=O LX2937 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.3 CN(CO)[N+](=O)[O-] RT0508 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.3 CN(N=O)C(N)=O HL0366 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.3 COC(=O)C(C)=O LT7441 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.3 CON(C)C(C)=O LL1390 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.3 C\C=C(/C)C(=O)Cl RT17529 [0,1,0,0,0,0|0,0,2]=3 261 B6R0.3 C\C=C(/C)C(=O)O RT0199 [0,1,0,0,0,0|0,0,2]=3 262 B6R0.3 C\C=C(/C)C(C)=O LL0992 [0,1,0,0,0,0|0,0,2]=3 263 B6R0.3 C\C=C(\C)C(=O)O LX1016 [0,1,0,0,0,0|0,0,2]=3 264 B6R0.3 NC(=O)C(Br)CBr XJ4149 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.3 NC(CCl)C(=O)O RT4761 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.3 NC(CO)C(=O)O JZ1426 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 NCC(N)C(=O)O HL1942 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.3 NC[C@H](O)C(=O)O LX3228 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.3 O=C(Cl)C(Br)CBr LQ4095 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.3 O=C(O)C(=O)CBr LT6742 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 O=C(O)C(O)CCl RT1118 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.3 O=C(O)C(O)CS RT17775 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.3 O=C([O-])C(O)CO LL1137 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.3 O=C([O-])C(O)CO LT7565 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.3 O=CC(F)C(=O)O RT1091 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.8 C#CC(C)(O)CC LT2616 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.8 C=CC(C)(O)CC HL0539 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.8 CC(C)(C=O)CO LQ1118 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.8 CC(C)(CO)CCl XJ3884 [0,1,0,0,0,0|1,0,2]=4 289 B6R0.8 CCC(C)(C)CC LQ1054 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.8 CCC(C)(C)O[Na] LQ3782 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.8 CCC(C)(O)C#N RT17545 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.8 COC(C)(C)OC LT6181 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.9 CCC(CC)CN LQ1208 [0,1,0,0,0,0|1,0,1]=3 294 B6R0.9 CCN(C=O)CC LQ1209 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.9 CCN(CC)CC JZ4026 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.9 CCN(CC)CC XJ1326 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.9 CCN(CC)CC YH28671 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.9 CC[SiH](CC)CC LT6209 [0,1,0,0,0,0|1,1,1]=4 299 B6R0.9 COC(C=O)OC LQ5229 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.9 COC(CBr)OC LT7038 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.9 COC(CCl)OC LT7109 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.9 COC(CN)OC LT6925 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.9 OCC(CO)CO YH02578 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.9 [BH-](CC)(CC)CC YH47632 [0,1,0,0,0,0|2,0,1]=4 305 B6R1.2 BrC1CCCC1 LL0590 [0,0,0,1,0,0|2,0,1]=4 306 B6R1.2 CC1=CC=CC1 LQ4531 [0,0,0,1,0,0|1,0,2]=4 307 B6R1.2 CC1=NCCC1 XJ1415 [0,0,0,1,0,0|2,0,1]=4 308 B6R1.2 CC1CCCC1 LL0238 [0,0,0,1,0,0|1,0,1]=3 309 B6R1.2 CC1CCCN1 XJ1351 [0,0,0,1,0,0|2,0,0]=3 310 B6R1.2 CC1CCCO1 YH65006 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.2 CC1CCCS1 XJ1945 [0,0,0,1,0,0|2,0,0]=3 312 B6R1.2 CC1CCNC1 YH66261 [0,0,0,1,0,0|1,0,1]=3 313 B6R1.2 CC1N=CCS1 LT2114 [0,0,0,1,0,0|3,0,0]=4 314 B6R1.2 CC1SCCS1 JZ2801 [0,0,0,1,0,0|3,0,0]=4 315 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,0,0,1,0,0|2,0,0]=3 316 B6R1.2 C[C@H]1CCCN1 HL3677 [0,0,0,1,0,0|2,0,0]=3 317 B6R1.2 C[C@H]1CCNC1 YH66267 [0,0,0,1,0,0|1,0,1]=3 318 B6R1.2 ClC1C=CCC1 LL0239 [0,0,0,1,0,0|2,0,0]=3 319 B6R1.2 ClC1CCCC1 LT4693 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 NC1CCCC1 LT4694 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.2 NC1CCNC1 LL1803 [0,0,0,1,0,0|2,0,1]=4 322 B6R1.2 NC1CCNC1 YH29002 [0,0,0,1,0,0|2,0,1]=4 323 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,0,0,1,0,0|2,0,1]=4 324 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,0,0,1,0,0|1,0,2]=4 325 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,0,0,1,0,0|2,0,1]=4 326 B6R1.2 N[C@H]1CCNC1 LT6128 [0,0,0,1,0,0|2,0,1]=4 327 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,0,0,1,0,0|1,0,2]=4 328 B6R1.2 O=C1C=CCC1 LQ1544 [0,0,0,1,0,0|2,0,1]=4 329 B6R1.2 OC1CCCO1 RT17572 [0,0,0,1,0,0|3,0,0]=4 330 B6R1.2 OC1CCNC1 HL4806 [0,0,0,1,0,0|2,0,1]=4 331 B6R1.2 OC1CCOC1 XJ0812 [0,0,0,1,0,0|1,0,2]=4 332 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,0,0,1,0,0|2,0,1]=4 333 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,0,0,1,0,0|1,0,2]=4 335 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,0,0,1,0,0|1,1,1]=4 336 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,0,0,1,0,0|2,0,1]=4 337 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.2 O[C@H]1CCOC1 HL4807 [0,0,0,1,0,0|1,0,2]=4 339 B6R1.2 O[C@H]1CCSC1 LT5717 [0,0,0,1,0,0|1,1,1]=4 340 B6R1.2 SC1CCCC1 LQ1887 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.2 [Fe]C1CCCC1 HL0728 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.4 O=C1CCC1Cl RT13553 [0,0,0,1,0,0|1,0,0]=2 344 B6R1.6 BrCC1CCC1 YH39750 [0,0,0,1,0,0|1,0,1]=3 345 B6R1.6 CNC1CNC1 YH49217 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.6 N#CC1CCC1 XJ2664 [0,0,0,1,0,0|1,0,1]=3 347 B6R1.6 NCC1CCC1 JZ2551 [0,0,0,1,0,0|1,0,1]=3 348 B6R1.6 OCC1CCC1 LT4668 [0,0,0,1,0,0|0,0,2]=3 349 B6R1.7 C=CC1(C)CO1 HL2018 [0,0,0,1,0,0|2,0,0]=3 350 B6R1.7 N#CC1(N)CC1 LQ5540 [0,0,0,1,0,0|2,0,1]=4 351 B6R1.7 NC1(CO)CC1 LX2522 [0,0,0,1,0,0|1,0,2]=4 352 B6R1.7 NC1(CO)CC1 YH26091 [0,0,0,1,0,0|1,0,2]=4 353 B6R1.7 NCC1(O)CC1 YH16826 [0,0,0,1,0,0|2,0,1]=4 354 B6R1.8 CC1CC1CO JZ2852 [0,0,0,1,0,0|0,0,2]=3 355 B3R0.1 C#CC=O YH10644 [2,0,0,0,0,0|0,0,2]=4 356 B3R0.1 C=C=CC HL0077 [2,0,0,0,0,0|0,0,2]=4 357 B3R0.1 C=CC=O RT0993 [2,0,0,0,0,0|0,0,2]=4 358 B3R0.1 C=CCBr RT17399 [2,0,0,0,0,0|1,0,1]=4 359 B3R0.1 C=CCC HL1334 [2,0,0,0,0,0|0,0,1]=3 360 B3R0.1 C=CCI LQ1006 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.1 C=CCN XJ6235 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.1 C=CCO LT3384 [2,0,0,0,0,0|1,0,1]=4 363 B3R0.1 C=CCS LT3385 [2,0,0,0,0,0|1,0,1]=4 364 B3R0.1 CCC=S LT2311 [2,0,0,0,0,0|0,1,0]=3 365 B3R0.1 CCCCl XJ0925 [2,0,0,0,0,0|1,0,0]=3 366 B3R0.1 CCON LT7287 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 CCSC XJ1178 [2,0,0,0,0,0|1,0,0]=3 368 B3R0.1 CN=C=O XJ1176 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.1 CNOC LT1363 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.1 COCCl RT17912 [2,0,0,0,0,0|2,0,0]=4 371 B3R0.1 CSCCl LQ2158 [2,0,0,0,0,0|2,0,0]=4 372 B3R0.1 ClCCCl XJ5613 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.1 FCCBr XJ1331 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.1 NCCCl XJ1403 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.1 NCCN JZ1006 [2,0,0,0,0,0|2,0,0]=4 376 B3R0.1 NCCN JZ4960 [2,0,0,0,0,0|2,0,0]=4 377 B3R0.1 NCCN LT5412 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.1 NCCN LT7506 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.1 NCCN XJ4257 [2,0,0,0,0,0|2,0,0]=4 380 B3R0.1 NCCO XJ0576 [2,0,0,0,0,0|1,0,1]=4 381 B3R0.1 NCCS LL0054 [2,0,0,0,0,0|1,1,0]=4 382 B3R0.1 NCCS LQ0646 [2,0,0,0,0,0|1,1,0]=4 383 B3R0.1 NNC=O XJ1177 [2,0,0,0,0,0|2,0,0]=4 384 B3R0.1 OCCBr XJ0924 [2,0,0,0,0,0|1,0,1]=4 385 B3R0.1 OCCO LT7654 [2,0,0,0,0,0|1,0,1]=4 386 B3R0.1 [2H]OCC RT1050 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.1 [Li]CCC LQ1980 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.1 [O-]CC[O-] RT16375 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.2 C=C(C)C HL1444 [2,0,0,0,0,0|0,0,1]=3 390 B3R0.2 C=C(C)Cl LQ1041 [2,0,0,0,0,0|1,0,1]=4 391 B3R0.2 C=[N+](C)C LQ4806 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.2 CB(C)Br LQ2820 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.2 CC(=O)F LQ1042 [2,0,0,0,0,0|1,0,1]=4 394 B3R0.2 CC(=O)O JZ3704 [2,0,0,0,0,0|1,0,1]=4 395 B3R0.2 CC(=O)O XJ0034 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.2 CC(=O)[O-] HL0535 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.2 CC(=O)[O-] HL1089 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.2 CC(=O)[O-] HL1536 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.2 CC(=O)[O-] HL1556 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.2 CC(=O)[O-] HL1980 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.2 CC(=O)[O-] JZ2733 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.2 CC(=O)[O-] JZ3035 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 CC(=O)[O-] JZ4063 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 CC(=O)[O-] JZ4064 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.2 CC(=O)[O-] JZ5083 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.2 CC(=O)[O-] JZ5622 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.2 CC(=O)[O-] LL2757 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.2 CC(=O)[O-] LQ1063 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.2 CC(=O)[O-] LQ1064 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.2 CC(=O)[O-] LQ1143 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.2 CC(=O)[O-] LQ1294 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.2 CC(=O)[O-] LQ1601 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.2 CC(=O)[O-] LQ2985 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.2 CC(=O)[O-] LQ3945 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.2 CC(=O)[O-] LQ4020 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.2 CC(=O)[O-] LQ5168 [2,0,0,0,0,0|1,0,1]=4 417 B3R0.2 CC(=O)[O-] LT7507 [2,0,0,0,0,0|1,0,1]=4 418 B3R0.2 CC(=O)[O-] LT7843 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.2 CC(=O)[O-] XJ0536 [2,0,0,0,0,0|1,0,1]=4 420 B3R0.2 CC(=O)[O-] XJ0713 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.2 CC(=O)[O-] XJ0970 [2,0,0,0,0,0|1,0,1]=4 422 B3R0.2 CC(=O)[O-] XJ2980 [2,0,0,0,0,0|1,0,1]=4 423 B3R0.2 CC(=O)[O-] YH65813 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.2 CC(C)I LQ0090 [2,0,0,0,0,0|1,0,0]=3 425 B3R0.2 CC(C)S LQ0091 [2,0,0,0,0,0|0,1,0]=3 426 B3R0.2 CC(C)[O-] JZ4937 [2,0,0,0,0,0|0,0,1]=3 427 B3R0.2 CC(C)[O-] JZ5329 [2,0,0,0,0,0|0,0,1]=3 428 B3R0.2 CC(C)[O-] JZ5330 [2,0,0,0,0,0|0,0,1]=3 429 B3R0.2 CC(C)[O-] JZ5591 [2,0,0,0,0,0|0,0,1]=3 430 B3R0.2 CC(C)[O-] LL1978 [2,0,0,0,0,0|0,0,1]=3 431 B3R0.2 CC(C)[O-] LQ3154 [2,0,0,0,0,0|0,0,1]=3 432 B3R0.2 CC(C)[O-] LQ3155 [2,0,0,0,0,0|0,0,1]=3 433 B3R0.2 CC(C)[O-] LQ3188 [2,0,0,0,0,0|0,0,1]=3 434 B3R0.2 CC(C)[O-] LQ4092 [2,0,0,0,0,0|0,0,1]=3 435 B3R0.2 CC(C)[O-] XJ2702 [2,0,0,0,0,0|0,0,1]=3 436 B3R0.2 CC(C)[O-] XJ6011 [2,0,0,0,0,0|0,0,1]=3 437 B3R0.2 CC(Cl)Br LQ1089 [2,0,0,0,0,0|2,0,0]=4 438 B3R0.2 CC(Cl)Cl HL0746 [2,0,0,0,0,0|2,0,0]=4 439 B3R0.2 CC(Cl)Cl RT17620 [2,0,0,0,0,0|2,0,0]=4 440 B3R0.2 CC(F)F LQ0094 [2,0,0,0,0,0|2,0,0]=4 441 B3R0.2 CN(C)C JZ2219 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.2 CP(C)C LL1775 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.2 CS(C)=O XJ0069 [2,0,0,0,0,0|1,0,0]=3 444 B3R0.2 C[As](C)I RT5919 [2,0,0,0,0,0|2,0,0]=4 445 B3R0.2 C[S+](C)C HL2475 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.2 C[S+](C)C JZ1912 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.2 C[SiH](C)C XJ1513 [2,0,0,0,0,0|0,1,1]=4 448 B3R0.2 C[Sn](C)=O HL2174 [2,0,0,0,0,0|1,0,0]=3 449 B3R0.2 [13CH3][13C](N)=O RT4752 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.1 BrCCC(Br)Br YH44143 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.1 C#CCC(C)O LQ2032 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.1 C(Cl)CC(=O)O CJ2142 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.1 C=C(C)OCC LT1730 [1,1,0,0,0,0|0,0,1]=3 454 B5R0.1 C=CCC(C)C LQ1324 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.1 C=CCC(C)O XJ1184 [1,1,0,0,0,0|0,0,2]=4 456 B5R0.1 C=CCN(C)C JZ1867 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.1 CC#C[C@H](C)O HL4870 [1,1,0,0,0,0|0,0,2]=4 458 B5R0.1 CC(=O)CC#N HL2246 [1,1,0,0,0,0|0,0,2]=4 459 B5R0.1 CC(=O)CC=O XJ1186 [1,1,0,0,0,0|0,0,2]=4 460 B5R0.1 CC(=O)CCS XJ5155 [1,1,0,0,0,0|0,0,1]=3 461 B5R0.1 CC(Br)CCBr HL1367 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.1 CC(C)=CCBr YH91045 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.1 CC(C)=CCN YH33589 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 CC(C)=CCO LT3091 [1,1,0,0,0,0|0,0,2]=4 465 B5R0.1 CC(C)CC#N XJ1183 [1,1,0,0,0,0|0,0,2]=4 466 B5R0.1 CC(C)CCCl HL1371 [1,1,0,0,0,0|0,0,1]=3 467 B5R0.1 CC(C)CCI XJ0935 [1,1,0,0,0,0|0,0,1]=3 468 B5R0.1 CC(C)N=C=O LT4097 [1,1,0,0,0,0|0,0,1]=3 469 B5R0.1 CC(C)OC=O XJ1196 [1,1,0,0,0,0|0,0,0]=2 470 B5R0.1 CC(O)CC=O HL1375 [1,1,0,0,0,0|1,0,0]=3 471 B5R0.1 CCCC(=O)[O-] XJ2982 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.1 CCCC(C)C HL1370 [1,1,0,0,0,0|0,0,1]=3 473 B5R0.1 CCCC(C)C HL4500 [1,1,0,0,0,0|0,0,1]=3 474 B5R0.1 CCCC(N)=O XJ0937 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.1 CCC[C@H](C)O LQ4668 [1,1,0,0,0,0|0,0,1]=3 476 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.1 CCNC(C)=O XJ1192 [1,1,0,0,0,0|0,0,1]=3 479 B5R0.1 CCNC(N)=O XJ1194 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.1 CCNC(N)=O XJ3539 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.1 CCOC(=O)Cl XJ0938 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.1 CCOC(=O)O XJ1147 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.1 CCOC(N)=O RT0197 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.1 CCO[Si](=O)O JZ3510 [1,1,0,0,0,0|1,1,0]=4 485 B5R0.1 CCSC(C)=O HL4138 [1,1,0,0,0,0|0,0,1]=3 486 B5R0.1 CCSC(C)=O XJ1197 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.1 CN(C)CCCl HL2802 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.1 CN(C)CCN HL1382 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.1 CN(C)CCO HL1383 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.1 CN(C)CCS LT4952 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.1 CNCC(=O)O JZ4055 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.1 CNCC(=O)O RT0428 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.1 CNCC(=O)[O-] JZ1762 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.1 COCC(C)=O LT7464 [1,1,0,0,0,0|0,0,1]=3 495 B5R0.1 COCC(C)N XJ5266 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.1 COC[C@H](C)N XJ6713 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.1 CSCC(=O)O XJ2185 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.1 C[C@@H](N)CC#N YH66415 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.1 C[C@@H](N)CCO RT0497 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.1 C[C@@H](O)CCO SY0267 [1,1,0,0,0,0|0,0,1]=3 501 B5R0.1 C[C@H](N)CC#N YH66374 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.1 NC(=O)CCO RT17509 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.1 NCCC(=O)O JZ0318 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.1 O=C(Cl)CCCl JZ0826 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.1 O=C(O)CCBr HL0088 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.1 O=C(O)CCS SY0092 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.1 O=C([O-])CCO RT1268 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.4 C#CC(C)(C)Br XJ3073 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.4 C#CC(C)(C)C YH95703 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.4 C#CC(C)(C)N XJ2319 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.4 C#CC(C)(C)O HL1447 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.4 C=CC(C)(C)O HL1446 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.4 CC(C)(Br)CCl HL2125 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.4 CC(C)(C)C=O RT1153 [1,1,0,0,0,0|0,0,0]=2 515 B5R0.4 CC(C)(C)CBr LQ1283 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.4 CC(C)(C)CCl XJ1305 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.4 CC(C)(C)CO LQ0123 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.4 CC(C)(C)OCl RT17559 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.4 CC(C)(F)CBr YH65172 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.4 CC(C)(F)CO RT0499 [1,1,0,0,0,0|0,0,2]=4 521 B5R0.4 CC(C)(N)CO LT0229 [1,1,0,0,0,0|0,0,2]=4 522 B5R0.4 CC(C)(O)CBr RT16393 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.4 CC(C)(O)CCl LQ1048 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.4 CC(C)(O)CO RT1147 [1,1,0,0,0,0|0,0,2]=4 525 B5R0.4 CC(C)(S)CN LX2484 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.4 CC(F)(F)CO YH55117 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.4 CCC(C)(C)Cl LQ1095 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.4 CCC(C)(C)N LQ1096 [1,1,0,0,0,0|0,0,1]=3 529 B5R0.4 CCC(C)(C)[O-] LL2022 [1,1,0,0,0,0|0,0,1]=3 530 B5R0.4 CCC(C)(Cl)Cl LQ2644 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.4 CCP(=O)(Cl)Cl LQ1608 [1,1,0,0,0,0|2,0,0]=4 533 B5R0.4 CCP(=O)([O-])[O-] LT5219 [1,1,0,0,0,0|2,0,0]=4 534 B5R0.4 CCS(=O)(=O)O LQ1100 [1,1,0,0,0,0|2,0,0]=4 535 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [1,1,0,0,0,0|2,0,0]=4 536 B5R0.4 CCS(C)(=O)=O LQ1098 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.4 CCS(N)(=O)=O LQ1828 [1,1,0,0,0,0|2,0,0]=4 538 B5R0.4 CNS(C)(=O)=O JZ4425 [1,1,0,0,0,0|2,0,0]=4 539 B5R0.4 CSC(C)(C)C XJ3040 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.4 O=CC(Cl)(Cl)Cl LQ0126 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.4 [2H]OC(C)(C)C RT17778 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.5 C=C(C)C(=O)Cl HL0545 [1,1,0,0,0,0|0,0,2]=4 543 B5R0.5 C=C(C)C(=O)O XJ0087 [1,1,0,0,0,0|0,0,2]=4 544 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [1,1,0,0,0,0|0,0,2]=4 545 B5R0.5 C=C(C)C(C)=O LQ1438 [1,1,0,0,0,0|0,0,2]=4 546 B5R0.5 C=C(C)C(C)C LQ1068 [1,1,0,0,0,0|0,0,1]=3 547 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.5 CC(=O)C(=O)[O-] RT0509 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.5 CC(=O)C(C)=O RT1203 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.5 CC(=O)C(C)Br LQ1437 [1,1,0,0,0,0|0,0,1]=3 552 B5R0.5 CC(=O)C(C)S LT2609 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.5 CC(=O)C(Cl)Cl HL1927 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.5 CC(=O)N(C)C LT7398 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.5 CC(=S)N(C)C LQ1296 [1,1,0,0,0,0|1,1,0]=4 556 B5R0.5 CC(Br)C(=O)O LQ1147 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.5 CC(C)=C(C)C LQ1069 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.5 CC(C)B(O)O XJ6433 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.5 CC(C)C(=O)[O-] JZ5651 [1,1,0,0,0,0|0,0,0]=2 560 B5R0.5 CC(C)C(=O)[O-] YH98974 [1,1,0,0,0,0|0,0,0]=2 561 B5R0.5 CC(C)C(C)C XJ0079 [1,1,0,0,0,0|0,0,1]=3 562 B5R0.5 CC(C)C(C)N LQ1148 [1,1,0,0,0,0|0,0,1]=3 563 B5R0.5 CC(C)C(C)O LQ1149 [1,1,0,0,0,0|0,0,1]=3 564 B5R0.5 CC(C)C(C)S HL2141 [1,1,0,0,0,0|0,0,1]=3 565 B5R0.5 CC(C)C(N)=O LQ1071 [1,1,0,0,0,0|0,0,0]=2 566 B5R0.5 CC(C)N(=O)=O XJ0090 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.5 CC(O)C(=O)[O-] HL1943 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.5 CC(O)C(=O)[O-] LT7892 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.5 CC(O)C(=O)[O-] XJ1528 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.5 CC(O)C(C)O HL1925 [1,1,0,0,0,0|0,0,1]=3 571 B5R0.5 CC(O)C(C)O HL3363 [1,1,0,0,0,0|0,0,1]=3 572 B5R0.5 CC(O)C(C)S LT3134 [1,1,0,0,0,0|0,0,1]=3 573 B5R0.5 CC(S)C(C)S HL2771 [1,1,0,0,0,0|0,1,0]=3 574 B5R0.5 CN(C)C(=O)Cl LT7881 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.5 CN(C)C(=S)Cl LT7773 [1,1,0,0,0,0|1,1,0]=4 576 B5R0.5 CN(C)C(=S)[S-] LQ0527 [1,1,0,0,0,0|1,1,0]=4 577 B5R0.5 CN(C)C(=S)[S-] LQ3837 [1,1,0,0,0,0|1,1,0]=4 578 B5R0.5 CN(O)C(N)=O RT18824 [1,1,0,0,0,0|2,0,0]=4 579 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [1,1,0,0,0,0|1,0,0]=3 580 B5R0.5 C[C@H](N)C(=O)O JZ0471 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.5 C[C@H](N)C(N)=O LQ3255 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.5 C[C@H](N)C(N)=O RT5023 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.5 C[C@H](O)C(=O)O XJ1388 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [1,1,0,0,0,0|0,0,1]=3 586 B5R0.5 O=C(O)C(Br)I RT0702 [1,1,0,0,0,0|2,0,0]=4 587 B5R0.5 O=C(O)C(Cl)Br JZ2788 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.5 O=C(O)C(Cl)Cl LT7767 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.5 O=C(O)C(Cl)I RT0646 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.5 O=C(O)C(I)I RT0771 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.5 O=C([O-])C(Cl)Cl JZ1871 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.5 [2H]C(=O)N(C)C JZ2134 [1,1,0,0,0,0|1,0,0]=3 593 B5R0.2 BrCCCCBr RT17667 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.2 C#CCCCBr RT0013 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.2 C#CCCCC LQ1326 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.2 C#CCCCO XJ2908 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.2 C#CCCCS RT16516 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 C=CCCC=C HL0118 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 C=CCCCBr XJ1587 [1,1,0,0,0,0|1,0,0]=3 600 B5R0.2 C=CC\C=C\C HL0119 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.2 CCCCC#N LL0427 [1,1,0,0,0,0|1,0,1]=4 602 B5R0.2 CCCCCI HL0274 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.2 CCCCNC LL0434 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.2 CCCCSC HL0277 [1,1,0,0,0,0|0,1,1]=4 605 B5R0.2 CCCC[SnH]=O LQ5214 [1,1,0,0,0,0|0,0,1]=3 606 B5R0.2 CCCN=C=O LL0443 [1,1,0,0,0,0|0,0,1]=3 607 B5R0.2 CCCN=C=S HL0278 [1,1,0,0,0,0|0,1,1]=4 608 B5R0.2 CCCOC=O LL0440 [1,1,0,0,0,0|0,0,0]=2 609 B5R0.2 CCCOCCl JZ2364 [1,1,0,0,0,0|1,0,1]=4 610 B5R0.2 CCCSC#N LQ2617 [1,1,0,0,0,0|1,0,1]=4 611 B5R0.2 CCCSCC LT5403 [1,1,0,0,0,0|1,0,1]=4 612 B5R0.2 CCNCCO LL0439 [1,1,0,0,0,0|0,0,2]=4 613 B5R0.2 CCOCCBr HL0120 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.2 CCOCCCl HL0279 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.2 CCOCCO LL0444 [1,1,0,0,0,0|0,0,2]=4 616 B5R0.2 CCO\C=C\Cl RT17648 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.2 CC\C=C\CC JZ3712 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.2 CNCCNC LL0436 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.2 CNCCOC LQ4938 [1,1,0,0,0,0|2,0,0]=4 620 B5R0.2 COCCC#N LL0433 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.2 COCCC=O YH51649 [1,1,0,0,0,0|0,0,0]=2 622 B5R0.2 COCCCCl LQ4914 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.2 COCCCN LT2986 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.2 CSCCC=O LT3092 [1,1,0,0,0,0|0,0,0]=2 625 B5R0.2 CSCCCN XJ2622 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.2 CSCCCO XJ0883 [1,1,0,0,0,0|0,0,2]=4 627 B5R0.2 CSC\C=N\O LQ3457 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.2 C\C=C\CCC XJ2577 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.2 ClCCCCI XJ3625 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.2 ICCCCI HL0276 [1,1,0,0,0,0|1,0,1]=4 631 B5R0.2 N#CCCCBr XJ2830 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.2 NCCCCCl JZ1120 [1,1,0,0,0,0|1,0,1]=4 633 B5R0.2 NCCCCN LL0428 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.2 NCCCCO XJ3835 [1,1,0,0,0,0|0,0,2]=4 635 B5R0.2 NOCCCS RT0541 [1,1,0,0,0,0|2,0,0]=4 636 B5R0.2 O=C=NCCCl LT6514 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.2 O=CCCC=O YH11511 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.2 OCCCCCl LQ1521 [1,1,0,0,0,0|0,0,2]=4 639 B5R0.2 OCCCCF RT1165 [1,1,0,0,0,0|0,0,2]=4 640 B7R0.2 CCC(=O)CC(N)=O YH16677 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.2 CCC(C)CC(C)C XJ0315 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.2 CCC(C)NC(N)=O JZ0727 [0,2,0,0,0,0|0,0,0]=2 643 B7R0.2 CCC(C)OC(=O)Cl YH40190 [0,2,0,0,0,0|0,0,0]=2 644 B7R0.2 CCC(N)CC(=O)O YH66442 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [0,2,0,0,0,0|0,0,0]=2 647 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [0,2,0,0,0,0|0,0,0]=2 648 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.2 NCC(O)CC(=O)O YH66693 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.3 CCCCC(C)CC HL0067 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.3 CC\C(C)=C\CCBr JZ5314 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.3 CN(CCC#N)N=O RT1198 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.3 CN(CCC=O)N=O RT1201 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,2,0,0,0,0|0,0,2]=4 655 B7R0.3 COCO[C@H](C)CO CJ2789 [0,2,0,0,0,0|0,0,2]=4 656 B7R0.5 C#CC[C@H](N)C(=O)O JZ5534 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.5 C=CCC(C)C(=O)O JZ4684 [0,2,0,0,0,0|0,0,1]=3 658 B7R0.5 C=CC[C@H](N)C(=O)O LT7555 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.5 CC(C)[C@H](C)N=C=O HL4545 [0,2,0,0,0,0|0,0,1]=3 660 B7R0.5 CCCC(=O)C(C)=O LQ2544 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.5 CCCC(C)C(=O)Cl LQ2858 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.5 CCCC(C)C(=O)O LL0280 [0,2,0,0,0,0|0,0,0]=2 663 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [0,2,0,0,0,0|0,0,0]=2 664 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.5 CCOC(=O)C(C)=O RT1264 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.5 CC\C=C(/C)C(=O)O LT5109 [0,2,0,0,0,0|0,0,1]=3 667 B7R0.5 CN(CCO)C(=N)N XJ5535 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.5 CNCC(N)C(=O)O RT5659 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.5 COCC(Cl)C(=O)O YH49766 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.5 COCC(N)C(=O)O YH43849 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.5 COC[C@@H](N)C(=O)O HL4811 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.5 COC[C@H](N)C(=O)O XJ5093 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.5 CSCC(C)C(=O)O RT5786 [0,2,0,0,0,0|0,0,0]=2 674 B7R0.5 CSC[C@H](N)C(=O)O JZ4436 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.5 C[Se]CC(=O)C(=O)O RT1095 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.5 NC(CCO)C(=O)O XJ0825 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.5 NC(CNO)C(=O)O RT5051 [0,2,0,0,0,0|2,0,0]=4 678 B7R0.5 NCC[C@@H](N)C(=O)O JZ5728 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.5 NCC[C@H](N)C(=O)O LQ1967 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 NCC[C@H](O)C(=O)O LT4053 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.5 N[C@@H](CCO)C(=O)O JZ1619 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.5 N[C@H](CCO)C(=O)O JZ2820 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.7 C=CCC(O)CCC JZ2295 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.7 CC(CCBr)CCBr XJ2711 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.7 CC(CCO)CCO XJ2710 [0,2,0,0,0,0|0,0,2]=4 686 B7R0.7 CCOC(=O)CC=O YH56003 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.10 CCC(=O)C(=O)OC RT0515 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.10 CCC(C)C(=O)OC XJ1392 [0,2,0,0,0,0|0,0,0]=2 690 B7R0.10 CCC(C)C(N)CO LT7578 [0,2,0,0,0,0|0,0,2]=4 691 B7R0.10 CCC(N)C(=O)OC RT5378 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.10 CCC(N)C(=O)OC RT5379 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.10 CC[C@@H](N)C(=O)OC YH90152 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.10 COC(=O)C(Br)CBr JZ4729 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.10 COC(=O)C(C)OC LQ4052 [0,2,0,0,0,0|1,0,0]=3 696 B7R0.10 COC(=O)C(Cl)CO LL1708 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.10 COC(=O)C(N)CCl RT5025 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.10 COC(=O)[C@@H](N)CS JZ0418 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.10 COC(=O)[C@H](N)CO RT5050 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.10 CON(C)C(=O)CCl HL4343 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.10 NC(CCl)C(=O)NO RT4876 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.10 NNC(=O)C(N)CO LX3272 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.10 O=C[C@H](O)[C@H](O)CO XJ1003 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.11 C=CCC(C)(C)C=O JZ2730 [0,2,0,0,0,0|0,0,1]=3 706 B7R0.11 C=CCC(C)(C)CC YH38506 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.11 CCCC(C)(O)CC LQ1129 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.11 COC(C)(C)CCO HL4652 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.11 COCC(C)(C)C#N RT0265 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.11 COCC(C)(O)CCl LT2283 [0,2,0,0,0,0|1,0,1]=4 712 B7R0.12 C=CCC(CO)CO YH22206 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.12 CCCC(CO)CO LT1803 [0,2,0,0,0,0|0,0,2]=4 714 B7R0.12 CCCN(CC)N=O RT17895 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.12 COC(CSC)OC LT1531 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.13 CC(C)(CN)C(=O)O YH42944 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.13 CC(C)(CN)C(N)=O RT4896 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.13 CC(C)(CO)C(=O)O JZ2632 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.13 CC(C)(CO)[N+](=O)[O-] LQ0142 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.13 CC(C)(ON)C(=O)O YH94045 [0,2,0,0,0,0|2,0,0]=4 721 B7R0.13 CCC(C)(C)C(=O)Cl HL3059 [0,2,0,0,0,0|0,0,0]=2 722 B7R0.13 CCC(C)(N)C(=O)O YH02479 [0,2,0,0,0,0|0,0,0]=2 723 B7R0.13 CCC(C)(O)C(=O)O LT1749 [0,2,0,0,0,0|0,0,0]=2 724 B7R0.13 CCC(F)(F)C(=O)O LQ2142 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.13 CC[C@@](C)(N)C(=O)O LX2334 [0,2,0,0,0,0|0,0,0]=2 726 B7R0.13 CC[C@](C)(N)C(=O)O YH09033 [0,2,0,0,0,0|0,0,0]=2 727 B7R0.13 C[C@@](N)(CO)C(=O)O LX2820 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.13 C[C@@](O)(CBr)C(=O)O RT0187 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.13 C[C@](N)(CO)C(=O)O LX2799 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.14 C[C@@H](CO)C(C)(C)O RT18819 [0,2,0,0,0,0|0,0,2]=4 731 B7R0.15 CCC(CO)C(=O)O RT1245 [0,2,0,0,0,0|0,0,0]=2 732 B7R0.15 CCN(CC)C(=S)S HL1611 [0,2,0,0,0,0|1,1,0]=4 733 B7R0.15 CCN(CC)C(=S)[S-] JZ1978 [0,2,0,0,0,0|1,1,0]=4 734 B7R0.15 CCN(CC)C(=S)[S-] JZ4819 [0,2,0,0,0,0|1,1,0]=4 735 B7R0.15 CCN(CC)C(=S)[S-] LQ1817 [0,2,0,0,0,0|1,1,0]=4 736 B7R0.15 CCN(CC)C(=S)[S-] XJ4041 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.15 CCN(CC)C(C)=O HL0372 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.15 CN[C@@H](CN)C(=O)O RT4912 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.15 COC(OC)C(C)=O LQ3104 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.15 O=[N+]([O-])C(CO)CO LT1548 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.16 CC(=O)C(C)C(=O)O RT0514 [0,2,0,0,0,0|0,0,1]=3 742 B7R0.16 CC(=O)C(C)C(C)=O LQ1450 [0,2,0,0,0,0|0,0,1]=3 743 B7R0.16 CC(Br)C(Br)C(=O)O JZ3861 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.16 CC(C)C(=O)C(=O)[O-] HL2578 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.16 CC(C)C(Br)C(=O)O LL0997 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.16 CC(C)C(C)C(C)C LL0998 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.16 CC(C)C(N)C(=O)O JZ1429 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.16 CC(C)C(O)C(=O)O RT0379 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.16 CC(C)[C@@H](N)C(=O)O JZ0470 [0,2,0,0,0,0|1,0,0]=3 750 B7R0.16 CC(C)[C@H](N)C(=O)O JZ0531 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.16 CC(C)[C@H](N)C(=O)O LQ3992 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.16 CC(O)C(C)C(=O)O RT0216 [0,2,0,0,0,0|0,0,0]=2 753 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O JZ1355 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O JZ0528 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.16 C[C@H](O)[C@H](N)C(=O)O LQ4658 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.16 [C@@H](N)(C(N)=O)C(C)C XJ2373 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.18 CCC(O)(CC)CC LQ1120 [0,2,0,0,0,0|1,0,1]=4 758 B5R1.2 BrC1CCC1 LT7156 [1,0,0,1,0,0|1,0,0]=3 759 B5R1.2 FC1CNC1 RT4119 [1,0,0,1,0,0|2,0,0]=4 760 B5R1.2 FC1CNC1 YH65878 [1,0,0,1,0,0|2,0,0]=4 761 B5R1.2 IC1COC1 YH65509 [1,0,0,1,0,0|2,0,0]=4 762 B5R1.2 NC1COC1 LQ4263 [1,0,0,1,0,0|2,0,0]=4 763 B5R1.2 NC1COC1 YH65543 [1,0,0,1,0,0|2,0,0]=4 764 B5R1.2 O=C1CCC1 LT7155 [1,0,0,1,0,0|0,0,1]=3 765 B5R1.2 O=C1CNC1 LQ4009 [1,0,0,1,0,0|1,0,1]=4 766 B5R1.2 O=C1COC1 LQ3137 [1,0,0,1,0,0|1,0,1]=4 767 B5R1.2 O=C1CSC1 YH65134 [1,0,0,1,0,0|1,0,1]=4 768 B5R1.2 OC1CCC1 JZ2141 [1,0,0,1,0,0|0,0,1]=3 769 B5R1.2 OC1CNC1 LQ5145 [1,0,0,1,0,0|1,0,1]=4 770 B5R1.2 OC1CNC1 LX2402 [1,0,0,1,0,0|1,0,1]=4 771 B5R1.2 OC1COC1 JZ3200 [1,0,0,1,0,0|1,0,1]=4 772 B5R1.3 BrCC1CC1 LT6195 [1,0,0,1,0,0|1,0,1]=4 773 B5R1.3 BrCC1CO1 LQ2403 [1,0,0,1,0,0|1,0,1]=4 774 B5R1.3 Br[Mg]C1CC1 XJ4727 [1,0,0,1,0,0|2,0,0]=4 775 B5R1.3 C=CC1CO1 LQ1542 [1,0,0,1,0,0|2,0,0]=4 776 B5R1.3 CNC1CC1 YH13207 [1,0,0,1,0,0|1,0,1]=4 777 B5R1.3 ClCC1CO1 RT15055 [1,0,0,1,0,0|1,0,1]=4 778 B5R1.3 ClC[C@H]1CO1 LQ5216 [1,0,0,1,0,0|1,0,1]=4 779 B5R1.3 NCC1CC1 HL2308 [1,0,0,1,0,0|1,0,1]=4 780 B5R1.3 O=CC1CC1 HL0901 [1,0,0,1,0,0|0,0,0]=2 781 B5R1.3 OCC1CC1 LT7741 [1,0,0,1,0,0|0,0,2]=4 782 B5R1.3 OC[C@@H]1CO1 XJ5771 [1,0,0,1,0,0|1,0,1]=4 783 B5R1.3 [C@H]1(CO)CO1 XJ5900 [1,0,0,1,0,0|1,0,1]=4 784 B5R1.4 CC1OC1C XJ2416 [1,0,0,1,0,0|0,0,1]=3 785 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [1,0,0,1,0,0|0,0,1]=3 786 B5R1.1 C1=CCNC1 LL0398 [1,0,0,1,0,0|2,0,0]=4 787 B5R1.1 C1=CCNC1 YH11319 [1,0,0,1,0,0|2,0,0]=4 788 B5R1.1 C1=COCC1 RT14584 [1,0,0,1,0,0|0,0,2]=4 789 B5R1.1 C1=NCCO1 XJ4908 [1,0,0,1,0,0|1,0,1]=4 790 B5R1.1 C1CCCC1 LT4684 [1,0,0,1,0,0|1,0,1]=4 791 B5R1.1 C1CCCC1 LT5516 [1,0,0,1,0,0|1,0,1]=4 792 B5R1.1 C1CCCC1 XJ1692 [1,0,0,1,0,0|1,0,1]=4 793 B5R1.1 C1CCNC1 JZ1776 [1,0,0,1,0,0|1,0,1]=4 794 B5R1.1 C1CCOC1 JZ5471 [1,0,0,1,0,0|0,0,2]=4 795 B5R1.1 C1CCOC1 LL0399 [1,0,0,1,0,0|0,0,2]=4 796 B5R1.1 C1CCOC1 LQ4465 [1,0,0,1,0,0|0,0,2]=4 797 B7R1.1 BrCC1CCCO1 JZ4457 [0,1,0,1,0,0|1,0,1]=4 798 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.1 C#CC1CCCC1 LQ1549 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.1 CNC1CCOC1 YH51455 [0,1,0,1,0,0|0,0,2]=4 801 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.1 COC1CCCC1 JZ2800 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.1 N#CC1CCCC1 LQ2602 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.1 NCC1CCCN1 YH08114 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.1 NCC1CCNC1 YH13177 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.1 O=CC1CCCC1 XJ1419 [0,1,0,1,0,0|0,0,0]=2 809 B7R1.1 O=CC1CCCO1 LX2512 [0,1,0,1,0,0|0,0,0]=2 810 B7R1.1 OCC1CC=CC1 YH65504 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.1 OCC1CCCN1 RT14572 [0,1,0,1,0,0|0,0,2]=4 812 B7R1.1 OCC1CCCO1 YH98620 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,1,0,1,0,0|0,0,2]=4 814 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,1,0,1,0,0|0,0,2]=4 815 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,1,0,1,0,0|0,0,2]=4 816 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,1,0,1,0,0|0,0,2]=4 817 B7R1.2 CC1=CC(=O)CC1 HL2331 [0,1,0,1,0,0|0,0,1]=3 818 B7R1.2 CC1=CCC(=O)O1 HL0093 [0,1,0,1,0,0|0,0,2]=4 819 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,1,0,1,0,0|0,0,0]=2 820 B7R1.2 CC1CCC(C)O1 HL0575 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.2 CC1CNC(=S)N1 RT14624 [0,1,0,1,0,0|1,1,0]=4 822 B7R1.2 CC1CSC(=O)S1 RT14660 [0,1,0,1,0,0|1,0,0]=3 823 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,1,0,1,0,0|1,0,0]=3 824 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.2 NC1=CC(=O)CC1 YH51937 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.2 O=C1CC(O)CN1 RT4517 [0,1,0,1,0,0|2,0,0]=4 827 B7R1.2 O=C1CCC(=O)N1 LT7207 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.2 O=C1CCC(=O)O1 JZ0987 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.2 O=C1OCC(Cl)O1 LT4482 [0,1,0,1,0,0|2,0,0]=4 832 B7R1.2 O=C1OCC(Cl)O1 LT7595 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.3 CC1=CCCCC1 HL0101 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.3 CC1CCCCC1 LQ0421 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.3 CC1CCCCN1 LQ0427 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.3 CC1CCNCC1 HL0233 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.3 CC1COCCN1 YH00913 [0,1,0,1,0,0|0,0,2]=4 838 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,1,0,1,0,0|0,0,2]=4 840 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,1,0,1,0,0|0,0,2]=4 841 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,1,0,1,0,0|1,0,1]=4 845 B7R1.3 OC1C=CCCC1 YH66647 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,1,0,1,0,0|1,0,1]=4 847 B7R1.4 C=C1CCOC1=O HL1987 [0,1,0,1,0,0|0,0,2]=4 848 B7R1.4 CC1=C(S)CCO1 LT1786 [0,1,0,1,0,0|0,1,1]=4 849 B7R1.4 CC1=CCCC1=O XJ1611 [0,1,0,1,0,0|0,0,1]=3 850 B7R1.4 CC1CCCC1N RT0500 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.4 CC1CCCC1O XJ4791 [0,1,0,1,0,0|0,0,2]=4 852 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,1,0,0|0,0,0]=2 853 B7R1.4 CC1CCOC1=O LQ1890 [0,1,0,1,0,0|0,0,0]=2 854 B7R1.4 CC1OCCC1=O LT1811 [0,1,0,1,0,0|0,0,0]=2 855 B7R1.4 CC1SCCC1=O LT1812 [0,1,0,1,0,0|0,0,0]=2 856 B7R1.4 CN1CCCC1=O RT4374 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.4 CN1CCCC1=O XJ2240 [0,1,0,1,0,0|1,0,0]=3 858 B7R1.4 CN1CCCC1=S LQ3417 [0,1,0,1,0,0|1,1,0]=4 859 B7R1.4 CN1CCNC1=O RT13275 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.4 CN1CCOC1=O LT3023 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.4 NC1CCNC1=O YH49305 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.4 NC1CCOC1=O LT3746 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.4 NC1CCOC1=O LT3981 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.4 NC1CCSC1=O LT5282 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.4 NC1CONC1=O RT4560 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.4 NN1CCOC1=O RT14817 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.4 N[C@@H]1CCOC1=O LL1835 [0,1,0,1,0,0|1,0,0]=3 868 B7R1.4 N[C@@H]1CONC1=O LT4743 [0,1,0,1,0,0|2,0,0]=4 869 B7R1.4 O=C1OCCC1Br LT3313 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.4 O=C1OCCC1O LT6912 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.10 COC1CC(=O)C1 YH53549 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.25 CC1(C#N)CNC1 YH66309 [0,1,0,1,0,0|1,0,1]=4 873 B7R1.25 CC1(CO)CCO1 YH09979 [0,1,0,1,0,0|0,0,2]=4 874 B7R1.25 CC1(CO)COC1 SY0220 [0,1,0,1,0,0|0,0,2]=4 875 B7R1.17 CC1(C)COC1=O RT14112 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.18 O=C(Cl)C1CCC1 HL2843 [0,1,0,1,0,0|0,0,0]=2 877 B7R1.18 O=C(O)C1CCC1 LT4667 [0,1,0,1,0,0|0,0,0]=2 878 B7R1.18 O=C(O)C1CCO1 YH90563 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.18 O=C(O)C1CNC1 RT5032 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.18 O=C(O)C1CNC1 YH21684 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.18 O=C(O)[C@@H]1CCN1 RT5004 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.19 CC(=O)C1(C)CC1 JZ4659 [0,1,0,1,0,0|0,0,0]=2 883 B7R1.19 CC1(C(=O)O)CC1 LT5850 [0,1,0,1,0,0|0,0,0]=2 884 B7R1.19 NC1(C(=O)O)CC1 JZ5499 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.19 NC1(C(=O)O)CC1 YH13989 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.19 O=C(O)C1(O)CC1 LX2695 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.23 O=CC1CC1(F)F YH27492 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.14 CC1(C)CCCO1 HL0572 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.29 BrCC1(CBr)CC1 YH66029 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.29 OCC1(CO)CC1 XJ5375 [0,1,0,1,0,0|0,0,2]=4 891 B7R2.13 C1NCC2CC12 YH16432 [0,0,0,2,0,0|1,0,1]=4 892 B7R2.13 C1NCC2CC12 YH51935 [0,0,0,2,0,0|1,0,1]=4