0  B23R1.8152110  CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(=O)CCC1(C)C)C MCULE-2158295420 [0,0,0,0,0,0|0,0,0]=0
1  B23R1.8152110  CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(CCC1(C)C)O)C MCULE-2049394784 [0,0,0,0,0,0|0,0,2]=2
2  B23R1.8152110  CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C MCULE-9719790836 [0,0,0,0,0,0|0,0,0]=0
3  B23R1.8152110  CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C\C(=C/C(=O)O)\C)/C MCULE-8071809927 [0,0,0,0,0,0|0,0,0]=0
4  B22R1.706962  CC(=CC=CC(=CC(=O)O)C)C=CC1=C(CCCC1(C)C)C MCULE-2591910021 [1,0,0,0,0,0|0,0,1]=2
5  B22R1.706962  CC(=CC=CC(=CC(=O)[O-])C)C=CC1=C(CCCC1(C)C)C MCULE-6412460325 [1,0,0,0,0,0|0,0,2]=3
6  B22R1.706962  CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C MCULE-9871118009 [1,0,0,0,0,0|0,0,1]=2
7  B22R1.706962  CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C MCULE-4313077074 [1,0,0,0,0,0|0,0,1]=2
8  B22R1.706962  CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C/C(=C/C(=O)O)/C)/C MCULE-7634624655 [1,0,0,0,0,0|0,0,1]=2
9  B24R1.8295573  CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C(=NO)CCC1(C)C)C MCULE-6531280126 [0,1,0,0,0,0|0,0,1]=2
10  B24R1.23706433  COC(=O)/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C MCULE-7362950114 [0,1,0,0,0,0|0,0,0]=1
11  B24R1.23706433  COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=O)CCC1(C)C)C MCULE-3470024288 [0,1,0,0,0,0|0,0,0]=1
12  B21R1.7257402  CC(=CC=CC(=CCO)C)C=CC1=C(CCCC1(C)C)C MCULE-6524977881 [2,0,0,0,0,0|0,0,2]=4
13  B21R1.7257402  CC(=CC=O)C=CC=C(C)C=CC1=C(CCCC1(C)C)C MCULE-1539700449 [2,0,0,0,0,0|0,0,1]=3
14  B21R1.7257402  CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C MCULE-5383443260 [2,0,0,0,0,0|0,0,1]=3
15  B21R1.7257402  CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C MCULE-4951251283 [2,0,0,0,0,0|0,0,2]=4
16  B21R1.7257402  CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C MCULE-5663544643 [2,0,0,0,0,0|0,0,2]=4