0 B7R0.9 CC(=O)NC(C)(C)C XJ1333 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(=O)OC(C)(C)C LT6202 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.9 CC(C)(C)CC(=O)Cl XJ3242 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(C)CC(=O)O LQ1642 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.9 CC(C)(C)NC(N)=O JZ0729 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(C)(C)OC(N)=O LQ2613 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 CC(C)(N)CC(=O)O YH58525 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 CC(C)=CC(C)(C)C HL1356 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.9 CC(C)CC(C)(C)O XJ1180 [0,0,0,0,0,0|1,1,1]=3 9 B7R0.9 CC(C)C[Si](C)(C)Cl XJ5870 [0,0,0,0,0,0|2,1,1]=4 10 B7R0.9 CC(C)OC(C)(C)C RT1120 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.9 CC(O)CC(C)(C)O HL1357 [0,0,0,0,0,0|0,1,2]=3 12 B7R0.9 CC(O)C[N+](C)(C)[O-] RT2807 [0,0,0,0,0,0|1,1,2]=4 13 B7R0.9 CS(=O)(=O)CC(=O)O HL2312 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.9 C[As+](C)(C)CC(=O)O RT1085 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.9 C[N+](C)(C)CC(=O)O LT4198 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.9 C[N+](C)(C)CC(=O)[O-] HL1358 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.9 O=C(O)CC(F)(F)F HL2313 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [1,0,0,0,0,0|1,1,1]=4 19 B6R0.2 CC(=O)CC(C)=O LQ3994 [1,0,0,0,0,0|0,1,1]=3 20 B6R0.2 CC(=O)CC(C)=O XJ0505 [1,0,0,0,0,0|0,1,1]=3 21 B6R0.2 CC(=O)CC(C)C LQ0378 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.2 CC(=O)NC(C)=O XJ1199 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.2 CC(=O)OC(C)Br LQ5001 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.2 CC(=O)OC(C)C LQ0385 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [1,0,0,0,0,0|0,1,2]=4 27 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [1,0,0,0,0,0|0,1,2]=4 28 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [1,0,0,0,0,0|0,1,2]=4 29 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [1,0,0,0,0,0|0,1,2]=4 30 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [1,0,0,0,0,0|0,1,2]=4 31 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [1,0,0,0,0,0|0,1,2]=4 32 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.2 CC(C)=CC(=O)O XJ0940 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.2 CC(C)CB(O)O XJ6479 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(C)CC(=O)O XJ0871 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.2 CC(C)CC(C)C LQ0376 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.2 CC(C)CC(C)N XJ6268 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.2 CC(C)CC(N)=O XJ0939 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.2 CC(C)C[C@H](C)O JZ4964 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.2 CC(C)NC(C)C YH12518 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.2 CC(C)NC(N)=S JZ4711 [1,0,0,0,0,0|2,1,0]=4 42 B6R0.2 CC(C)OC(=O)Cl LQ0387 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [1,0,0,0,0,0|2,1,0]=4 44 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.2 CC(C)SC(=N)N XJ5791 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.2 CC(Cl)CN(C)C HL0587 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(Cl)CN(C)C HL2803 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.2 CC(N)CC(=O)O JZ1398 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.2 CC(O)CC(=O)O LL0657 [1,0,0,0,0,0|1,1,0]=3 50 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,0,0,0,0,0|1,1,0]=3 51 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,0,0,0,0,0|1,1,0]=3 52 B6R0.2 CC(O)CC(C)O XJ1198 [1,0,0,0,0,0|0,1,2]=4 53 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.2 CP(C)CP(C)C HL4244 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.2 C[C@H](O)CN(C)C YH05901 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.5 C=CC[N+](C)(C)C LQ1810 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.5 CC#CC(C)(C)C HL0639 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.5 CC(C)(C)CCBr HL0956 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.5 CC(C)(C)CCO XJ1179 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.5 CC(C)(C)N=C=O XJ1845 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.5 CC(C)(C)NC=O JZ2037 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.5 CC(C)(N)CCO YH01120 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.5 CC(C)(O)CCBr RT0161 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.5 CC(C)(O)CCCl RT0158 [1,0,0,0,0,0|1,1,1]=4 71 B6R0.5 CCCC(C)(C)Cl LQ2678 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.5 CCCC(C)(C)O HL0081 [1,0,0,0,0,0|0,1,1]=3 73 B6R0.5 CCC[N+](C)(C)C RT0535 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.5 CCOC(C)(C)C JZ4054 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.5 COCC(C)(C)O JZ2366 [1,0,0,0,0,0|1,1,0]=3 76 B6R0.5 C[N+](C)(C)CC=O RT17781 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.24 C=CC(=O)NC(C)(C)C HL1361 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.24 CC(C)(C)NC(=O)CCl RT4828 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.24 CC(C)(C)OC(=O)CBr LT6203 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.24 CC(C)(C)OC(=O)CCl LT6201 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.24 CC(C)(C)OC(=O)CI RT1142 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.24 CC(C)(C)OC(=O)CN LT4069 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.24 CC(C)(C)OC(=O)NN XJ1404 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.24 COC(=O)CC(C)(C)C XJ3591 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.24 C[N+](C)(C)CC(=O)NN LT3205 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.27 CC(C)(C)C(=O)C(=O)O LQ1447 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O LQ4575 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.27 CC(C)(C)[C@H](N)C(=O)O LT6046 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.27 CC(C)(C)[C@H](O)C(=O)O YH47225 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O RT5796 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.27 [2H]C(C)(C)C(=O)C(=O)[O-] RT0536 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O CJ2140 [0,1,0,0,0,0|1,1,0]=3 93 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O LX2927 [0,1,0,0,0,0|1,1,0]=3 94 B8R0.33 CC(C)(C)CC(C)(C)C LQ1643 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.33 CC(C)(C)CC(C)(C)N HL1359 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.33 CC(C)(C)CS(N)(=O)=O RT4718 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.33 CC(C)(C)OS(C)(=O)=O RT1362 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.34 C#CC(C)(C)NC(C)=O LT5787 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.34 CC(=O)OC(C)(C)CO RT0009 [0,1,0,0,0,0|1,1,0]=3 100 B8R0.34 CCC(C)(O)CC(C)C HL2724 [0,1,0,0,0,0|1,1,1]=4 101 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.77 [C@H]1(C(N)=O)CC1(C)C YH17484 [0,0,0,1,0,0|2,0,0]=3 104 B6R0.7 CC(=O)C(Cl)(Cl)Cl HL0536 [0,0,0,0,1,0|3,0,0]=4 105 B6R0.7 CC(C)(Br)C(=O)Br XJ4581 [0,0,0,0,1,0|2,0,0]=3 106 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,0,0,0,1,0|2,0,0]=3 107 B6R0.7 CC(C)(Br)C(N)=O YH16835 [0,0,0,0,1,0|2,0,0]=3 108 B6R0.7 CC(C)(C)C(=N)N XJ4393 [0,0,0,0,1,0|3,0,0]=4 109 B6R0.7 CC(C)(C)C(=O)Cl JZ0680 [0,0,0,0,1,0|2,0,0]=3 110 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,0,0,0,1,0|2,0,0]=3 111 B6R0.7 CC(C)(C)C(N)=S LQ1285 [0,0,0,0,1,0|2,1,0]=4 112 B6R0.7 CC(C)(C)S(=O)Cl LQ4733 [0,0,0,0,1,0|3,0,0]=4 113 B6R0.7 CC(C)(C)[N+](=O)[O-] LQ1103 [0,0,0,0,1,0|3,0,0]=4 114 B6R0.7 CC(C)(C)[N+](=O)[O-] XJ0928 [0,0,0,0,1,0|3,0,0]=4 115 B6R0.7 CC(C)(C)[S@@](N)=O HL3531 [0,0,0,0,1,0|3,0,0]=4 116 B6R0.7 CC(C)(C)[S@@](N)=O LT1104 [0,0,0,0,1,0|3,0,0]=4 117 B6R0.7 CC(C)(C)[S@@](N)=O LT1105 [0,0,0,0,1,0|3,0,0]=4 118 B6R0.7 CC(C)(Cl)[N+](=O)[O-] LQ1104 [0,0,0,0,1,0|3,0,0]=4 119 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,0,0,0,1,0|2,0,0]=3 120 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,0,0,0,1,0|1,1,0]=3 121 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,0,0,0,1,0|1,1,0]=3 122 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,0,0,0,1,0|1,0,0]=2 123 B6R0.7 CC(C)C(C)(C)C LQ0838 [0,0,0,0,1,0|2,0,1]=4 124 B6R0.7 CC(Cl)(Cl)C(=O)O LQ0132 [0,0,0,0,1,0|3,0,0]=4 125 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HL1538 [0,0,0,0,1,0|3,0,0]=4 126 B6R0.7 CC(N)C(C)(C)C LQ2546 [0,0,0,0,1,0|2,0,1]=4 127 B6R0.7 CC(O)C(C)(C)C LQ0839 [0,0,0,0,1,0|1,0,2]=4 128 B8R0.29 C[Si](C)(C)CCC(=O)[O-] RT1133 [0,0,0,0,0,1|2,1,0]=4 129 B5R0.1 C(Cl)CC(=O)O CJ2142 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 C=C(C)OCC LT1730 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 C=CCC(C)C LQ1324 [2,0,0,0,0,0|0,0,1]=3 132 B5R0.1 C=CCC(C)O XJ1184 [2,0,0,0,0,0|0,1,1]=4 133 B5R0.1 C=CCN(C)C JZ1867 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CC(=O)CC#N HL2246 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CC(=O)CC=O XJ1186 [2,0,0,0,0,0|0,1,1]=4 136 B5R0.1 CC(=O)CCS XJ5155 [2,0,0,0,0,0|0,0,0]=2 137 B5R0.1 CC(C)CC#N XJ1183 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.1 CC(C)CCCl HL1371 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 CC(C)CCI XJ0935 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 CC(C)N=C=O LT4097 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 CC(C)OC=O XJ1196 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.1 CC(O)CC=O HL1375 [2,0,0,0,0,0|0,1,0]=3 143 B5R0.1 CCCC(=O)[O-] XJ2982 [2,0,0,0,0,0|1,0,0]=3 144 B5R0.1 CCCC(C)C HL1370 [2,0,0,0,0,0|0,0,1]=3 145 B5R0.1 CCCC(C)C HL4500 [2,0,0,0,0,0|0,0,1]=3 146 B5R0.1 CCCC(N)=O XJ0937 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CCCC(N)=[NH2+] LX2780 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 CCC[C@H](C)O LQ4668 [2,0,0,0,0,0|0,0,2]=4 149 B5R0.1 CCC[N+](=O)[O-] JZ5682 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.1 CCC[N+](=O)[O-] LQ0374 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 CCNC(C)=O XJ1192 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 CCNC(N)=O XJ1194 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 CCNC(N)=O XJ3539 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 CCOC(=O)Cl XJ0938 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 CCOC(=O)O XJ1147 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.1 CCOC(N)=O RT0197 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.1 CCSC(C)=O HL4138 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.1 CCSC(C)=O XJ1197 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.1 CN(C)CCS LT4952 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 CNCC(=O)O JZ4055 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.1 CNCC(=O)O RT0428 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 CNCC(=O)[O-] JZ1762 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.1 COCC(C)=O LT7464 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.1 COCC(C)N XJ5266 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 COC[C@H](C)N XJ6713 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 CSCC(=O)O XJ2185 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 NC(=O)CCO RT17509 [2,0,0,0,0,0|1,1,0]=4 168 B5R0.1 NCCC(=O)O JZ0318 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 O=C(Cl)CCCl JZ0826 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 O=C(O)CCBr HL0088 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.1 O=C(O)CCS SY0092 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.1 O=C([O-])CCO RT1268 [2,0,0,0,0,0|1,1,0]=4 173 B5R0.4 C=CC(C)(C)O HL1446 [2,0,0,0,0,0|0,1,1]=4 174 B5R0.4 CC(C)(Br)CCl HL2125 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.4 CC(C)(C)C=O RT1153 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.4 CC(C)(C)CBr LQ1283 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.4 CC(C)(C)CCl XJ1305 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.4 CC(C)(C)CO LQ0123 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.4 CC(C)(F)CBr YH65172 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.4 CC(C)(F)CO RT0499 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.4 CC(C)(N)CO LT0229 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.4 CC(C)(O)CBr RT16393 [2,0,0,0,0,0|1,1,0]=4 183 B5R0.4 CC(C)(O)CCl LQ1048 [2,0,0,0,0,0|1,1,0]=4 184 B5R0.4 CC(C)(O)CO RT1147 [2,0,0,0,0,0|0,1,1]=4 185 B5R0.4 CC(C)(S)CN LX2484 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.4 CCC(C)(C)Cl LQ1095 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.4 CCC(C)(C)N LQ1096 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.4 CCC(C)(C)[O-] LL2022 [2,0,0,0,0,0|0,1,0]=3 189 B5R0.4 CCC(C)(Cl)Cl LQ2644 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.4 CSC(C)(C)C XJ3040 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.2 C=CC(=O)NC(C)C JZ1950 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.2 CC(C)NC(=O)CCl LQ2337 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.2 CC(C)NC(=O)CN LL1178 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.2 CC(C)OC(=O)CCl XJ0319 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.2 CCC(=O)OC(C)C JZ4049 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.2 CCC(C)CC(C)C XJ0315 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.2 CCC(C)NC(N)=O JZ0727 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.2 CCC(C)OC(=O)Cl YH40190 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.2 CCC(N)CC(=O)O YH66442 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.2 CNC(=O)CC(C)=O LQ4229 [1,1,0,0,0,0|0,1,1]=4 206 B7R0.2 COC(=O)C=C(C)C LQ1499 [1,1,0,0,0,0|0,0,2]=4 207 B7R0.2 COC(=O)CC(C)=O XJ0317 [1,1,0,0,0,0|0,1,1]=4 208 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [1,1,0,0,0,0|0,1,0]=3 209 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [1,1,0,0,0,0|0,1,0]=3 210 B7R0.2 NCC(O)CC(=O)O YH66693 [1,1,0,0,0,0|1,1,0]=4 211 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.16 CC(=O)C(C)C(C)=O LQ1450 [1,1,0,0,0,0|0,1,1]=4 213 B7R0.16 CC(Br)C(Br)C(=O)O JZ3861 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.16 CC(C)C(=O)C(=O)[O-] HL2578 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.16 CC(C)C(Br)C(=O)O LL0997 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.16 CC(C)C(C)C(C)C LL0998 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.16 CC(C)C(N)C(=O)O JZ1429 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.16 CC(C)C(O)C(=O)O RT0379 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.16 CC(C)C(O)C(C)C JZ3862 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.16 CC(C)[C@@H](N)C(=O)O JZ0470 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.16 CC(C)[C@H](N)C(=O)O JZ0531 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.16 CC(C)[C@H](N)C(=O)O LQ3992 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.16 CC(O)C(C)C(=O)O RT0216 [1,1,0,0,0,0|1,1,0]=4 224 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O JZ1355 [1,1,0,0,0,0|1,1,0]=4 225 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O JZ0528 [1,1,0,0,0,0|1,1,0]=4 226 B7R0.16 C[C@H](O)[C@H](N)C(=O)O LQ4658 [1,1,0,0,0,0|1,1,0]=4 227 B7R0.16 [C@@H](N)(C(N)=O)C(C)C XJ2373 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.8 CCCCC(C)(C)Cl JZ2528 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.8 CCCOC(C)(C)C YH65394 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.11 C=CCC(C)(C)C=O JZ2730 [1,1,0,0,0,0|0,1,1]=4 231 B7R0.11 C=CCC(C)(C)CC YH38506 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.11 CCCC(C)(Cl)CC LQ5130 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.11 CCCC(C)(O)CC LQ1129 [1,1,0,0,0,0|0,1,1]=4 234 B7R0.11 COCC(C)(C)C#N RT0265 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.11 COCC(C)(O)CCl LT2283 [1,1,0,0,0,0|1,1,0]=4 236 B7R0.14 COC(=O)C(C)(C)S RT19827 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.13 CC(C)(CN)C(=O)O YH42944 [0,1,0,0,1,0|2,0,0]=4 238 B7R0.13 CC(C)(CN)C(N)=O RT4896 [0,1,0,0,1,0|2,0,0]=4 239 B7R0.13 CC(C)(CO)C(=O)O JZ2632 [0,1,0,0,1,0|1,1,0]=4 240 B7R0.13 CC(C)(ON)C(=O)O YH94045 [0,1,0,0,1,0|1,1,0]=4 241 B7R0.13 CCC(C)(C)C(=O)Cl HL3059 [0,1,0,0,1,0|2,0,0]=4 242 B7R0.13 CCC(C)(N)C(=O)O YH02479 [0,1,0,0,1,0|2,0,0]=4 243 B7R0.13 CCC(C)(O)C(=O)O LT1749 [0,1,0,0,1,0|1,1,0]=4 244 B7R0.13 CC[C@@](C)(N)C(=O)O LX2334 [0,1,0,0,1,0|2,0,0]=4 245 B7R0.13 CC[C@](C)(N)C(=O)O YH09033 [0,1,0,0,1,0|2,0,0]=4 246 B7R0.13 C[C@@](N)(CO)C(=O)O LX2820 [0,1,0,0,1,0|2,0,0]=4 247 B7R0.13 C[C@@](O)(CBr)C(=O)O RT0187 [0,1,0,0,1,0|1,1,0]=4 248 B7R0.13 C[C@](N)(CO)C(=O)O LX2799 [0,1,0,0,1,0|2,0,0]=4 249 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O YH57331 [0,1,0,0,0,1|2,0,0]=4 250 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O YH92132 [0,1,0,0,0,1|2,0,0]=4 251 B9R0.64 CC(C)(CO)NCC(=O)O RT1434 [0,1,0,0,0,1|1,1,0]=4 252 B9R0.64 CC(C)=CCC(C)(C)C=O HL0556 [0,1,0,0,0,1|1,1,0]=4 253 B9R0.77 CC(C)(C)CSS(C)(=O)=O RT17800 [0,1,0,0,0,1|2,0,0]=4 254 B9R0.22 C=CC(C)(C)CC(=O)OC LT5121 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.22 CNC(=O)CC(C)(C)NC RT0542 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.44 CC(C)(C)OC(=O)CC#N XJ1568 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.44 CCOC(=O)CC(C)(C)C XJ2853 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.44 CNCC(=O)OC(C)(C)C JZ1773 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.44 [C-]#[N+]CC(=O)OC(C)(C)C YH65014 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] RT0442 [0,2,0,0,0,0|1,1,0]=4 261 B9R0.32 CSC(C)(C)[C@@H](N)C(=O)O RT5640 [0,2,0,0,0,0|1,0,0]=3 262 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O YH57330 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.11 CC(=O)OC(C)(C)C(=O)Br LQ5061 [0,2,0,0,0,0|1,1,0]=4 264 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl LQ5060 [0,2,0,0,0,0|1,1,0]=4 265 B9R0.58 C[C@@](O)(CCO)CC(=O)[O-] RT1240 [0,2,0,0,0,0|1,1,0]=4 266 B9R0.63 COP(=O)(CC(C)=O)OC HL2715 [0,2,0,0,0,0|1,1,0]=4 267 B7R1.2 CC1=CC(=O)CC1 HL2331 [1,0,0,1,0,0|0,0,2]=4 268 B7R1.2 CC1CCC(=O)C1 XJ1883 [1,0,0,1,0,0|0,0,0]=2 269 B7R1.2 CC1CSC(=O)S1 RT14660 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.2 CN1CCC(=O)C1 XJ6122 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.2 O=C1CC(O)CN1 RT4517 [1,0,0,1,0,0|1,1,0]=4 273 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [1,0,0,1,0,0|1,1,0]=4 274 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [1,0,0,1,0,0|1,1,0]=4 275 B7R1.20 O=C(O)CC1CC1 LQ2859 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.32 CC1(C)CC1(C)C XJ2645 [1,0,0,1,0,0|1,0,1]=4 277 B7R1.14 CC1(C)CCCO1 HL0572 [1,0,0,1,0,0|0,1,1]=4 278 B7R1.14 CC1(C)COCN1 LT2687 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.23 O=CC1CC1(F)F YH27492 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.26 CC(C)(C)C1CO1 XJ2121 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.26 CC(C)(O)C1CC1 LQ1548 [1,0,0,1,0,0|0,1,1]=4 282 B7R1.17 CC1(C)COC1=O RT14112 [0,0,0,1,1,0|2,0,0]=4 283 B7R1.19 CC(=O)C1(C)CC1 JZ4659 [0,0,0,1,1,0|1,0,0]=3 284 B7R1.19 CC1(C(=O)O)CC1 LT5850 [0,0,0,1,1,0|2,0,0]=4 285 B7R1.19 NC1(C(=O)O)CC1 JZ5499 [0,0,0,1,1,0|2,0,0]=4 286 B7R1.19 NC1(C(=O)O)CC1 YH13989 [0,0,0,1,1,0|2,0,0]=4 287 B7R1.19 O=C(O)C1(O)CC1 LX2695 [0,0,0,1,1,0|1,1,0]=4 288 B9R1.10 CC1(C)CCC(=O)CC1 LQ2625 [0,0,0,1,0,1|1,0,0]=3 289 B9R1.10 CC1(C)OCC(=O)CO1 LL1350 [0,0,0,1,0,1|0,1,0]=3 290 B9R1.10 O=C1CCC(F)(F)CC1 XJ4719 [0,0,0,1,0,1|2,0,0]=4 291 B9R1.36 CC1CC(C)(C)CC1=O LQ2692 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.66 CC1(O)CCOC(=O)C1 HL0327 [0,1,0,1,0,0|0,1,0]=3 293 B9R1.38 CC1(C)CC(=O)OC1=O YH39976 [0,1,0,1,0,0|1,1,0]=4 294 B9R1.128 O=C(O)CC1(CO)CC1 YH90917 [0,1,0,1,0,0|1,1,0]=4 295 B9R1.171 NC1(CC(=O)O)CCC1 YH08697 [0,1,0,1,0,0|2,0,0]=4 296 B5R0.5 C=C(C)C(C)=O LQ1438 [1,0,0,0,1,0|0,0,2]=4 297 B5R0.5 C=C(C)C(C)C LQ1068 [1,0,0,0,1,0|1,0,0]=3 298 B5R0.5 CC(=O)C(C)=O RT1203 [1,0,0,0,1,0|0,1,1]=4 299 B5R0.5 CC(=O)C(C)Br LQ1437 [1,0,0,0,1,0|1,0,0]=3 300 B5R0.5 CC(=O)C(C)S LT2609 [1,0,0,0,1,0|0,0,0]=2 301 B5R0.5 CC(=O)C(Cl)Cl HL1927 [1,0,0,0,1,0|2,0,0]=4 302 B5R0.5 CC(=O)N(C)C LT7398 [1,0,0,0,1,0|1,0,0]=3 303 B5R0.5 CC(=S)N(C)C LQ1296 [1,0,0,0,1,0|1,1,0]=4 304 B5R0.5 CC(Br)C(=O)O LQ1147 [1,0,0,0,1,0|2,0,0]=4 305 B5R0.5 CC(C)=C(C)C LQ1069 [1,0,0,0,1,0|1,0,1]=4 306 B5R0.5 CC(C)C(=O)[O-] JZ5651 [1,0,0,0,1,0|1,0,0]=3 307 B5R0.5 CC(C)C(=O)[O-] YH98974 [1,0,0,0,1,0|1,0,0]=3 308 B5R0.5 CC(C)C(C)C XJ0079 [1,0,0,0,1,0|1,0,1]=4 309 B5R0.5 CC(C)C(C)N LQ1148 [1,0,0,0,1,0|1,0,1]=4 310 B5R0.5 CC(C)C(C)O LQ1149 [1,0,0,0,1,0|0,0,2]=4 311 B5R0.5 CC(C)C(C)S HL2141 [1,0,0,0,1,0|0,1,1]=4 312 B5R0.5 CC(C)C(N)=O LQ1071 [1,0,0,0,1,0|1,0,0]=3 313 B5R0.5 CC(C)N(=O)=O XJ0090 [1,0,0,0,1,0|2,0,0]=4 314 B5R0.5 CC(O)C(=O)[O-] HL1943 [1,0,0,0,1,0|1,1,0]=4 315 B5R0.5 CC(O)C(=O)[O-] LT7892 [1,0,0,0,1,0|1,1,0]=4 316 B5R0.5 CC(O)C(=O)[O-] XJ1528 [1,0,0,0,1,0|1,1,0]=4 317 B5R0.5 CC(O)C(C)S LT3134 [1,0,0,0,1,0|0,0,2]=4 318 B5R0.5 CC(S)C(C)S HL2771 [1,0,0,0,1,0|0,1,1]=4 319 B5R0.5 CN(C)C(=O)Cl LT7881 [1,0,0,0,1,0|2,0,0]=4 320 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [1,0,0,0,1,0|2,0,0]=4 321 B5R0.5 C[C@H](N)C(=O)O JZ0471 [1,0,0,0,1,0|2,0,0]=4 322 B5R0.5 C[C@H](N)C(N)=O LQ3255 [1,0,0,0,1,0|2,0,0]=4 323 B5R0.5 C[C@H](N)C(N)=O RT5023 [1,0,0,0,1,0|2,0,0]=4 324 B5R0.5 C[C@H](O)C(=O)O XJ1388 [1,0,0,0,1,0|1,1,0]=4 325 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [1,0,0,0,1,0|1,1,0]=4 326 B5R0.5 [2H]C(=O)N(C)C JZ2134 [1,0,0,0,1,0|2,0,0]=4 327 B7R0.6 CC(=O)CCC(C)=O LL0405 [1,0,0,0,0,1|0,1,1]=4 328 B7R0.6 CC(=O)CCC(C)C LL0404 [1,0,0,0,0,1|0,0,0]=2 329 B7R0.6 CC(=O)CNC(C)=O YH65583 [1,0,0,0,0,1|0,1,1]=4 330 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [1,0,0,0,0,1|0,0,1]=3 331 B7R0.6 CC(=O)\C=C\N(C)C RT1440 [1,0,0,0,0,1|1,0,1]=4 332 B7R0.6 CC(C)CCC(=O)O XJ1215 [1,0,0,0,0,1|1,0,0]=3 333 B7R0.6 CC(C)CCC(C)C HL0113 [1,0,0,0,0,1|1,0,1]=4 334 B7R0.6 CC(C)CCC(C)N RT0214 [1,0,0,0,0,1|1,0,1]=4 335 B7R0.6 CC(C)CCC(C)O HL0260 [1,0,0,0,0,1|0,0,2]=4 336 B7R0.6 CC(C)CNC(N)=O RT15753 [1,0,0,0,0,1|1,0,0]=3 337 B7R0.6 CC(C)COC(=O)Cl XJ0965 [1,0,0,0,0,1|1,0,0]=3 338 B7R0.6 C[S+](C)CCC(=O)O RT0388 [1,0,0,0,0,1|2,0,0]=4 339 B7R0.6 C[S+](C)CCC(=O)[O-] LQ3247 [1,0,0,0,0,1|2,0,0]=4