0  B13R1.510  O=C(O)C(O)C1=CC(O)=C(O)C=C1 7789AL [0,0,0,0,0,0|2,0,1]=3
1  B12R1.225  C[C@H](C1=CC(O)=CC=C1)N(C)C 3159AC [1,0,0,0,0,0|3,0,0]=4
2  B12R1.225  C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 E767 [1,0,0,0,0,0|0,0,0]=1
3  B12R1.367  CCC(N)C1=CC(C)=C(C)C=C1 4088AE [1,0,0,0,0,0|3,0,0]=4
4  B14R1.41  COC1=C(O)C=CC(C(O)C(=O)O)=C1 8088AF [0,1,0,0,0,0|2,0,1]=4
5  B14R1.686  O=C([O-])C(O)CC1=CC=C(O)C(O)=C1 9071AJ [0,0,0,0,0,1|2,0,1]=4
6  B14R1.686  O=C([O-])[C@H](O)CC1=CC=C(O)C(O)=C1 X1119 [0,0,0,0,0,1|2,0,1]=4
7  B11R1.20  CC(=O)CC1=CC=C(O)C=C1 Q226 [2,0,0,0,0,0|1,0,1]=4
8  B11R1.20  CC(C)CC1=CC=C(Br)C=C1 V4230 [2,0,0,0,0,0|2,0,0]=4
9  B11R1.20  CC(C)CC1=CC=C(N)C=C1 3122AB [2,0,0,0,0,0|2,0,0]=4
10  B11R1.20  CC(C)OC1=CC=C(O)C=C1 Y9996 [2,0,0,0,0,0|2,0,0]=4
11  B11R1.192  CC1=CC=C(CCN)C=C1C 8902AA [2,0,0,0,0,0|2,0,0]=4
12  B11R1.192  CCCC1=CC=C(Br)C(F)=C1 W3658 [2,0,0,0,0,0|2,0,0]=4
13  B11R1.192  CNCC1=CC=C(O)C(O)=C1 6058AJ [2,0,0,0,0,0|1,0,0]=3
14  B11R1.22  CCC(N)C1=CC=C(Cl)C=C1 9145AE [2,0,0,0,0,0|2,0,0]=4
15  B11R1.22  OC(CCl)C1=CC=C(Cl)C=C1 2026AL [2,0,0,0,0,0|2,0,0]=4
16  B11R1.36  CC(C)C(O)C1=CC=CC=C1 9149AB [2,0,0,0,0,0|1,0,0]=3
17  B11R1.36  CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [2,0,0,0,0,0|2,0,0]=4
18  B11R1.36  CC(C)[C@H](N)C1=CC=CC=C1 W7886 [2,0,0,0,0,0|2,0,0]=4
19  B11R1.36  NC(=O)C(O)C1=CC=CC=C1 3705AE [2,0,0,0,0,0|1,0,1]=4
20  B11R1.21  CC(C)C1=CC(N)=C(O)C=C1 3701AB [2,0,0,0,0,0|2,0,0]=4
21  B11R1.21  CC(O)C1=CC(Cl)=C(Cl)C=C1 7334AA [2,0,0,0,0,0|2,0,0]=4
22  B11R1.21  CC(O)C1=CC(F)=C(F)C=C1 4919AJ [2,0,0,0,0,0|2,0,0]=4
23  B13R1.52  COC1=CC(CC(C)=O)=CC=C1O L729 [1,1,0,0,0,0|1,0,1]=4
24  B13R1.2879  COC(=O)CC1=CC=C(O)C(O)=C1 X5226 [1,1,0,0,0,0|1,0,1]=4
25  B13R1.49  CCC(=O)C1=CC=C(O)C(OC)=C1 Q284 [1,1,0,0,0,0|0,0,2]=4
26  B13R1.466  CNCC(=O)C1=CC=C(O)C(O)=C1 8096AF [1,1,0,0,0,0|0,0,2]=4
27  B13R2.522  N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 X4777 [1,0,0,1,0,0|2,0,0]=4
28  B15R1.889  CC(C)NCC(O)C1=CC=C(O)C(O)=C1 8730AJ [0,0,0,0,0,2|1,0,0]=3