0  B7R0.2  COC(=O)CC(=O)O R000TK [0,0,0,0,0,0|2,0,1]=3
1  B7R0.2  COC(=O)CC(=O)O R000WK [0,0,0,0,0,0|2,0,1]=3
2  B6R0.1  CC(COC)OC R00135 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.5  CCOC(=O)CC(=O)O R000TM [0,1,0,0,0,0|1,0,1]=3
4  B6R0.3  CC(C(=O)O)NC R000ZY [0,0,0,0,1,0|1,0,0]=2
5  B6R0.3  CCN(C)C(=O)Cl R000ZP [0,0,0,0,1,0|2,0,0]=3
6  B6R0.3  C[C@@H](C(=O)O)NC R00100 [0,0,0,0,1,0|1,0,0]=2
7  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [0,0,0,0,1,0|1,0,0]=2
8  B8R0.9  COC(=O)CCC(=O)O R000ZG [0,0,0,0,0,1|2,0,1]=4
9  B5R0.1  CC(C)ON=O R000TA [2,0,0,0,0,0|2,0,0]=4
10  B5R0.2  CCCCC#C R0019A [2,0,0,0,0,0|1,0,1]=4
11  B5R0.2  COCCCO R0012O [2,0,0,0,0,0|1,0,1]=4
12  B5R0.2  COCCCO R0013A [2,0,0,0,0,0|1,0,1]=4
13  B5R0.3  CCC(CC)N R000SG [2,0,0,0,0,0|1,0,1]=4
14  B7R0.9  CS(=O)(=O)CC(=O)O R000V1 [1,1,0,0,0,0|2,0,0]=4
15  B9R0.53  CC(CC(=O)O)CC(=O)O R000T4 [0,2,0,0,0,0|0,0,1]=3
16  B7R1.3  CC1CCCNC1 R00164 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.3  CC1CCNCC1 R0017X [1,0,0,1,0,0|1,0,1]=4
18  B9R1.35  C1CC(=O)CC1C(=O)O R000U5 [0,0,0,1,0,1|1,0,1]=4
19  B9R1.49  CN1CCCC(=O)CC1 R000TP [0,0,0,1,0,1|2,0,0]=4
20  B9R1.34  CC1CC(=O)OC(=O)C1 R000ZM [0,1,0,1,0,0|0,0,1]=3
21  B9R1.66  CC1(CCCC(=O)C1)C R000UE [0,1,0,1,0,0|1,0,0]=3
22  B5R0.5  CC(C(=O)Cl)Cl R0014V [1,0,0,0,1,0|2,0,0]=4