0  B17R1.104494  CC(=O)OC1=C(C(=CC=C1)C(=O)O)OC(=O)C MCULE-5208815276 [0,0,0,0,0,0|0,0,0]=0
1  B16R1.18176  CC(=O)NC1=C(C(=CC=C1)C(=O)O)N(=O)=O MCULE-3219136578 [0,0,0,0,1,0|3,0,0]=4
2  B16R1.18176  CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O MCULE-4734198376 [0,0,0,0,1,0|2,0,0]=3
3  B16R1.18177  CC(=O)NC1=C(C=CC=C1C(=O)C)N(=O)=O MCULE-8501563348 [0,0,0,0,1,0|2,0,1]=4
4  B16R1.18177  CC(=O)NC1=C(C=CC=C1N(=O)=O)C(=O)O MCULE-8730655997 [0,0,0,0,1,0|3,0,0]=4
5  B18R1.264154  CC(=O)OC1=CC=CC(=C1OC(=O)C)OC(=O)C MCULE-6522759078 [0,0,0,0,0,1|1,0,0]=2
6  B15R1.12643  COC1=C(C(=CC=C1)C(=O)O)OC(C)C MCULE-1676335441 [2,0,0,0,0,0|1,0,1]=4
7  B15R1.12643  COC1=CC=CC(=C1NC(=O)C)C(=O)O MCULE-7108423361 [2,0,0,0,0,0|1,0,0]=3
8  B15R1.12643  COC1=CC=CC(=C1OC(=O)C)C(=O)O MCULE-7418657109 [2,0,0,0,0,0|0,0,0]=2
9  B15R1.8288  CC(=O)OC1=C(C(=CC=C1)F)OC(=O)C MCULE-9824267044 [2,0,0,0,0,0|1,0,0]=3
10  B17R1.96709  CC(=O)OC1=C(C=CC(=C1N(=O)=O)C(=O)O)C MCULE-8429401294 [0,1,0,0,1,0|2,0,0]=4
11  B17R1.4186  CC(=O)OC1=C(C=C(C=C1C(=O)O)Br)N(=O)=O MCULE-6347544126 [0,1,0,0,1,0|2,0,0]=4
12  B17R1.4186  CC(=O)OC1=C(C=C(C=C1C(=O)O)Cl)N(=O)=O MCULE-2523962008 [0,1,0,0,1,0|2,0,0]=4
13  B17R2.39669  CC(=O)OC1=C2C(=O)C=CC(=O)C2=CC=C1 MCULE-8326175399 [0,0,0,1,1,0|1,0,1]=4
14  B17R2.268881  CC1(CC(=O)C2=C(O1)C(=CC=C2)C(=O)O)C MCULE-1090511673 [0,0,0,1,1,0|1,0,1]=4
15  B15R1.9046  CC(=O)C1=C(C=CC=C1C(=O)O)C(=O)O MCULE-9146988690 [0,0,0,0,2,0|1,0,0]=3
16  B15R1.9046  O=C(O)C1=CC=CC(=C1C(=O)O)C(=O)O MCULE-3746122728 [0,0,0,0,2,0|2,0,0]=4
17  B17R1.1328  CC(=O)NC1=CC=C(C(=C1)NC(=O)C)C(=O)O MCULE-5940486742 [0,0,0,0,1,1|2,0,0]=4
18  B17R1.1328  CC(=O)OC1=CC(=C(C=C1)C(=O)O)OC(=O)C MCULE-1320886669 [0,0,0,0,1,1|0,0,0]=2
19  B17R1.26335  CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C MCULE-8514204563 [0,0,0,0,1,1|2,0,0]=4
20  B17R1.26335  CC(=O)OC1=CC=C(C=C1OC(=O)C)C(=O)O MCULE-9937299513 [0,0,0,0,1,1|0,0,0]=2