0  B19R0.149  CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [0,0,0,0,0,0|1,0,2]=3
1  B19R0.149  CCCCC/C=C/C/C=C\CCCCCCCC(=O)[O-] R580910 [0,0,0,0,0,0|1,0,2]=3
2  B19R0.149  CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,0,0,0,0,0|1,0,0]=1
3  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,0,0,0,0,0|1,0,2]=3
4  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,0,0,0,0,0|1,0,2]=3
5  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,0,0,0,0,0|1,0,2]=3
6  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [0,0,0,0,0,0|1,0,2]=3
7  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [0,0,0,0,0,0|1,0,2]=3
8  B19R0.149  CCCCCCCCCCCCCCCCCC(=S)N S553670 [0,0,0,0,0,0|1,1,2]=4
9  B19R0.149  CCCCCCCCCCCCCCCCNC(=O)N S810681 [0,0,0,0,0,0|2,0,2]=4
10  B19R0.149  CCCCCCCCCCCCCCCCSC(=O)C S387207 [0,0,0,0,0,0|2,0,2]=4
11  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [1,0,0,0,0,0|1,0,1]=3
12  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S233501 [1,0,0,0,0,0|2,0,1]=4
13  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S605379 [1,0,0,0,0,0|2,0,1]=4
14  B20R0.3034  CCCCCCCC/C=C/CCCCCCCC(=O)NO PH011209 [0,1,0,0,0,0|1,0,0]=2
15  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)CC S573000 [0,1,0,0,0,0|1,0,2]=4
16  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,1,0,0,0,0|1,0,2]=4
17  B20R1.66772  CCCCCCCC/C=C/C1CCCCCCC(=O)O1 S722138 [0,0,0,1,0,0|1,0,0]=2
18  B17R0.43  CCCCCCCCCCCCCCCC(=O)C S762911 [2,0,0,0,0,0|1,0,0]=3
19  B17R0.43  CCCCCCCCCCCCCCCC(=O)O S833266 [2,0,0,0,0,0|1,0,0]=3
20  B17R0.43  CCCCCCCCCCCCCCNC(=O)N S811866 [2,0,0,0,0,0|2,0,0]=4
21  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S28291 [2,0,0,0,0,0|2,0,0]=4
22  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S43193 [2,0,0,0,0,0|2,0,0]=4
23  B17R0.43  CCCCCCCCCCCCSCCC(=O)O S537306 [2,0,0,0,0,0|2,0,0]=4
24  B17R0.43  CCCCCCCCSCCCCCCC(=O)O R395536 [2,0,0,0,0,0|2,0,0]=4
25  B17R0.43  CCCCSCCCCCCCCCCC(=O)O S537659 [2,0,0,0,0,0|2,0,0]=4
26  B21R0.21192  CCCCCCC(O)C/C=C/CCCCCCCC(=O)NO PH003655 [0,2,0,0,0,0|1,0,0]=3
27  B21R0.2907  CCCCCCCC/C=C/CCCCCCCC(=O)OCC S570710 [0,2,0,0,0,0|1,0,0]=3
28  B21R0.81  CCCCCCCC/C=C\CCCCCCCCOC(=O)N S354171 [0,2,0,0,0,0|1,0,0]=3