0  B13R1.337  O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,0,0,0,0|2,0,1]=3
1  B13R1.337  O=C(O)CCOCC1=CC=CC=C1 P39101 [0,0,0,0,0,0|3,0,1]=4
2  B14R1.423  NC(=O)OC[C@H](N)CC1=CC=CC=C1 Q69522 [0,1,0,0,0,0|1,0,2]=4
3  B14R1.716  COC(=O)CCNCC1=CC=CC=C1 P39487 [0,1,0,0,0,0|2,0,1]=4
4  B14R1.6449  N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O O28886 [0,1,0,0,0,0|2,0,0]=3
5  B14R1.6449  N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O O28856 [0,1,0,0,0,0|2,0,0]=3
6  B14R2.2  CC(=O)OC1=CNC2=C1C=CC=N2 P49643 [0,0,0,1,0,0|2,0,1]=4
7  B14R2.2  O=C(O)CN1C=CC2=C1C=CC=C2 P39430 [0,0,0,1,0,0|3,0,0]=4
8  B14R2.19  O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,1,0,0|0,0,2]=3
9  B14R2.19  O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [0,0,0,1,0,0|2,0,1]=4
10  B14R2.21  CC1=NC(C2=CC=CC=C2)=CC=C1 Q68055 [0,0,0,1,0,0|2,0,1]=4
11  B14R2.436  O=C1CC(OCC2=CC=CC=C2)C1 G-6516 [0,0,0,1,0,0|2,0,1]=4
12  B14R2.31359  CC(=O)C1=C2C=CC=NC2=CC=C1 O32619 [0,0,0,1,0,0|2,0,1]=4
13  B14R2.31359  CC(=O)C1=C2N=CC=CC2=CC=C1 P43244 [0,0,0,1,0,0|2,0,1]=4
14  B14R2.31359  CC(=O)C1=CC=CC2=C1C=NC=C2 O31450 [0,0,0,1,0,0|2,0,1]=4
15  B14R2.31359  CC(=O)C1=NC=CC2=C1C=CC=C2 O34312 [0,0,0,1,0,0|2,0,0]=3
16  B12R1.252  O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,1,0|2,0,1]=4
17  B11R1.28  O=CCOCC1=CC=CC=C1 P37120 [2,0,0,0,0,0|1,0,1]=4
18  B13R1.348  CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,1,0|0,0,1]=3
19  B13R1.348  O=C(O)CC(=O)NC1=CC=CC=C1 P40954 [0,1,0,0,1,0|2,0,0]=4
20  B15R1.741  COC(=O)CC(=O)\C=C\C1=CC=CC=C1 P37750 [0,2,0,0,0,0|1,0,1]=4
21  B13R2.3  C1=CC=C(C2=CCOCC2)C=C1 C-3463 [1,0,0,1,0,0|0,0,1]=3
22  B13R2.1613  O=CC1=NC=CC2=CC=CC=C21 N25167 [1,0,0,1,0,0|2,0,0]=4
23  B13R2.10  NC1=NC(C2=CC=CC=C2)=CO1 O29740 [0,0,0,1,1,0|2,0,0]=4
24  B13R2.10  O=C1NC(C2=CC=CC=C2)=CS1 G-7477 [0,0,0,1,1,0|1,1,0]=4
25  B13R2.31  O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,1,0|1,0,1]=4
26  B13R2.163  O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,1,1,0|1,0,1]=4
27  B15R2.377  CC(=O)OC1=CNC2=C1C=CC(Br)=C2 M15502 [0,1,0,1,0,0|1,0,1]=4
28  B15R2.612  O=C1CC(OC(=O)C2=CC=CC=C2)C1 F-4777 [0,1,0,1,0,0|2,0,0]=4
29  B15R2.53147  CC(=O)O[IH2]1OC(=O)C2=CC=CC=C21 M23806 [0,1,0,1,0,0|2,0,0]=4
30  B15R2.9410  CC(=O)OC1=CNC2=C1C=C(Br)C=C2 M15528 [0,1,0,1,0,0|1,0,1]=4
31  B15R2.79765  COC(=O)C1=NC=CC2=C1C=CC=C2 O31843 [0,1,0,1,0,0|2,0,0]=4
32  B15R2.79765  O=C(CBr)C1=C2C=CC=CC2=CC=C1 O32490 [0,1,0,1,0,0|1,0,1]=4
33  B11R1.91  CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,2,0|0,0,2]=4
34  B11R1.91  NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,2,0|2,0,0]=4