0  B18R3.365246  COC1=C2OC(=O)C=CC2=CC3=C1OCC3 MCULE-9430970884 [0,0,0,0,0,0|0,0,2]=2
1  B18R3.365246  COC1=C2OC=CC2=CC3=C1OC(=O)C=C3 MCULE-2500932325 [0,0,0,0,0,0|0,0,0]=0
2  B17R3.202536  O=C1C=CC2=CC3=C(OC=C3)C(=C2O1)O MCULE-4145719408 [1,0,0,0,0,0|0,0,0]=1
3  B17R2.62662  COC1=C(C(=C2OC(=O)C=CC2=C1)OC)O MCULE-8927053707 [0,0,1,0,0,0|1,0,1]=3
4  B17R2.68834  COC1=CC(=CC2=C1OCO2)/C=C/C(=O)O MCULE-1052902163 [0,0,1,0,0,0|1,0,1]=3
5  B17R2.68834  COC1=CC(=CC2=C1OCO2)C=CC(=O)O MCULE-2063396728 [0,0,1,0,0,0|1,0,1]=3
6  B16R2.7475  COC1=C(C2=C(C=CC(=O)O2)C=C1)OC MCULE-6655284333 [1,0,1,0,0,0|0,0,1]=3
7  B16R2.12177  COC1=CC(=CC2=C1OCO2)/C=C/C=O MCULE-8218888084 [1,0,1,0,0,0|1,0,1]=4
8  B16R2.12177  COC1=CC(=CC2=C1OCO2)C=CC=O MCULE-6329188522 [1,0,1,0,0,0|1,0,1]=4
9  B16R2.36472  COC1=CC2=C(OC(=O)C=C2)C(=C1O)O MCULE-2693568829 [1,0,1,0,0,0|1,0,1]=4
10  B16R3.10840  O=C1C=CC2=CC3=C(C=C2O1)OC=C3 MCULE-2236160968 [2,0,0,0,0,0|0,0,0]=2
11  B16R3.10840  O=C1C=CC2=CC3=C(C=C2O1)OCC3 MCULE-1399939483 [2,0,0,0,0,0|0,0,2]=4
12  B18R2.104468  COC1=C(C(=C2OC(=O)C=CC2=C1)OC)OC MCULE-3556464581 [0,1,1,0,0,0|0,0,2]=4
13  B18R3.99356  O=C1C=CC2=C(C3=C(OC=C3)C(=C2O1)O)O MCULE-8554220635 [1,1,0,0,0,0|0,0,0]=2
14  B18R3.950298  CC1=CC(=O)OC2=C(C3=C(C=CO3)C=C12)C MCULE-2806306622 [1,1,0,0,0,0|0,0,0]=2
15  B20R3.367603  C#CCOC1=C2OC=CC2=CC3=C1OC(=O)C=C3 MCULE-1689719910 [0,2,0,0,0,0|0,0,0]=2
16  B20R3.2801436  CC(=O)OC1=C2OC=CC2=CC3=C1OC(=O)C=C3 MCULE-6797713531 [0,2,0,0,0,0|0,0,0]=2
17  B20R3.45100434  COC1=C2OC(=CC(=O)C2=C(C3=C1OC=C3)O)C MCULE-4293424332 [0,2,0,0,0,0|1,0,0]=3
18  B20R3.11461154  COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC MCULE-4600634401 [0,2,0,0,0,0|0,0,0]=2
19  B20R3.11461154  COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC MCULE-5163280216 [0,2,0,0,0,0|0,0,0]=2
20  B16R1.414  COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OC MCULE-5420436938 [0,0,2,0,0,0|1,0,1]=4
21  B16R1.414  COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OC MCULE-6318498327 [0,0,2,0,0,0|1,0,1]=4
22  B16R1.414  COC1=CC(=CC(=C1OC)O)C=CC(=O)O MCULE-6419579610 [0,0,2,0,0,0|1,0,1]=4
23  B16R1.9381  CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC MCULE-2723517188 [0,0,2,0,0,0|0,0,2]=4
24  B16R1.9381  CCOC1=C(C=C(C=C1)C=CC(=O)O)OC MCULE-6800666719 [0,0,2,0,0,0|0,0,2]=4
25  B16R1.423  COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O MCULE-1335506941 [0,0,2,0,0,0|1,0,1]=4
26  B16R1.423  COC1=CC(=CC(=C1O)OC)C=CC(=O)O MCULE-6112659813 [0,0,2,0,0,0|1,0,1]=4