0 B17R0.43 CCCCCCCCCCCCSCCC(=O)O 5821AL [0,0,0,0,0,0|1,0,0]=1 1 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O 1082AH [0,0,0,0,0,0|0,0,2]=2 2 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O X3456 [0,0,0,0,0,0|0,0,2]=2 3 B17R0.43 O=C(O)CCCCCCCCCCCCCCO 4729AL [0,0,0,0,0,0|1,0,0]=1 4 B16R0.303 CCCCCCCCCCCCNCCC#N 4117AE [1,0,0,0,0,0|2,0,1]=4 5 B16R0.303 CCCCCCCCCCCCOCCCN 1848AC [1,0,0,0,0,0|2,0,1]=4 6 B16R0.303 CCCC\C=C/CCCCCCCCCCO 8295AB [1,0,0,0,0,0|0,0,3]=4 7 B16R0.303 CCCC\C=C\CCCCCCCCCCO 9174AB [1,0,0,0,0,0|0,0,3]=4 8 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC X3670 [0,1,0,0,0,0|0,0,2]=3 9 B18R0.174 CCCCCCCCCCCCCCC(F)C(=O)O 1351AH [0,1,0,0,0,0|0,0,0]=1 10 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O 6978AB [0,1,0,0,0,0|0,0,0]=1 11 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O 8753AL [0,1,0,0,0,0|1,0,0]=2 12 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] 4939AL [0,1,0,0,0,0|1,0,1]=3 13 B15R0.70 CCCCCCCCCCCCCCC#N 6301AF [2,0,0,0,0,0|1,0,1]=4 14 B15R0.70 CCCCCCCCCCCCCCC=O 8751AL [2,0,0,0,0,0|0,0,0]=2 15 B15R0.70 CCCCCCCCCCCCOCCO 5046AL [2,0,0,0,0,0|1,0,0]=3 16 B15R0.70 OCCCCCCCCCCCCCCBr 1333AC [2,0,0,0,0,0|1,0,0]=3 17 B15R0.164 CCCCCCCCCCCCOC(=O)Cl O682 [2,0,0,0,0,0|2,0,0]=4 18 B15R0.164 CCCCCCCCCCCSCC(=O)O 1392AH [2,0,0,0,0,0|1,0,0]=3 19 B15R0.164 CCCOCCCCCCCCCC(=O)O 1138AH [2,0,0,0,0,0|1,0,0]=3 20 B17R0.195 CCCCCCCCCCCCCCC(=O)OC 8245AL [1,1,0,0,0,0|0,0,0]=2 21 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O 1956AH [1,1,0,0,0,0|1,0,0]=3 22 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] 8967AL [1,1,0,0,0,0|1,0,1]=4 23 B17R0.104 CCCCCCCCC(O)CCCCCCCC 3111AL [1,1,0,0,0,0|1,0,1]=4 24 B17R0.117 C#CCCCCCCCCCCCCCCCC 4936AL [1,1,0,0,0,0|1,0,1]=4 25 B17R0.117 CCCCCCCCCCCCCCCCC=O 8012AL [1,1,0,0,0,0|0,0,0]=2 26 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC V0317 [0,2,0,0,0,0|0,0,0]=2 27 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC 0323AQ [0,2,0,0,0,0|0,0,1]=3 28 B19R0.153 C=C(C)C(=O)OCCCCCCCCCCCCCC 9108AJ [0,2,0,0,0,0|2,0,0]=4 29 B19R0.182 CCCCCC\C=C/CCCCCCCC(=O)OCC 1759AH [0,2,0,0,0,0|0,0,2]=4 30 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] V0075 [0,2,0,0,0,0|0,0,1]=3 31 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl 2307AB [0,2,0,0,0,0|1,0,0]=3 32 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)O V8072 [0,2,0,0,0,0|0,0,0]=2 33 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O 1535AH [0,2,0,0,0,0|0,0,2]=4 34 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(=O)O 1689AH [0,2,0,0,0,0|0,0,2]=4 35 B19R0.149 CCCCC\C=C/C=C/CCCCCCCCC(=O)O M208 [0,2,0,0,0,0|0,0,2]=4 36 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O 1831AH [0,2,0,0,0,0|0,0,2]=4 37 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O 7449AH [0,2,0,0,0,0|0,0,1]=3 38 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] 4874AL [0,2,0,0,0,0|1,0,1]=4 39 B17R1.1242 CCCCCCCCCCCC1CCCCC1 8687AL [1,0,0,1,0,0|1,0,1]=4 40 B19R1.15489 CCCCCCCCCCCC1NC(C(=O)O)CS1 1369AH [0,1,0,1,0,0|1,0,0]=3