0  B13R2.10  Cc1c[nH]c(n1)c2ccccc2 7VP [0,0,0,0,0,0|3,0,1]=4
1  B12R2.2  c1ccc(cc1)[C@H]2CCCN2 96B [1,0,0,0,0,0|1,0,2]=4
2  B12R2.2  c1ccc(cc1)c2[nH]ccn2 PIY [1,0,0,0,0,0|2,0,1]=4
3  B14R2.20  c1cc(ccc1c2csc(n2)N)O 92G [0,1,0,0,0,0|0,1,2]=4
4  B14R2.598  c1ccc(cc1)n2c(nc(n2)N)N TT4 [0,1,0,0,0,0|2,0,1]=4
5  B12R1.3  CC[C@H](c1ccccc1)NC=O BAS [0,0,1,0,0,0|2,0,1]=4
6  B12R1.107  C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,0,1,0,0,0|2,0,0]=3
7  B12R1.107  c1ccc(cc1)C(CC(=O)O)N SFE [0,0,1,0,0,0|3,0,0]=4
8  B12R1.252  CC(=O)NCCc1ccccc1 54W [0,0,1,0,0,0|3,0,0]=4
9  B12R1.252  c1ccc(cc1)CCCC(=O)O CLT [0,0,1,0,0,0|3,0,0]=4
10  B11R1.28  c1ccc(cc1)CCCCN PBN [1,0,1,0,0,0|1,0,1]=4
11  B11R1.28  c1ccc(cc1)CCNC=O EOA [1,0,1,0,0,0|2,0,0]=4
12  B11R1.28  c1ccc(cc1)CCNC=S LE2 [1,0,1,0,0,0|2,0,0]=4
13  B11R1.91  CC(=O)OCc1ccccc1 J0Z [1,0,1,0,0,0|2,0,0]=4
14  B11R1.91  C[C@H](CCc1ccccc1)N 4DD [1,0,1,0,0,0|1,0,1]=4
15  B11R1.91  c1ccc(cc1)CCC(=O)O HCI [1,0,1,0,0,0|2,0,0]=4
16  B11R1.91  c1ccc(cc1)CNC(=O)O PMQ [1,0,1,0,0,0|1,0,1]=4
17  B11R1.91  c1ccc(cc1)COC(=O)O BGG [1,0,1,0,0,0|2,0,0]=4
18  B13R1.135  COC(=O)[C@H](Cc1ccccc1)N 0A9 [0,1,1,0,0,0|2,0,0]=4
19  B13R1.135  COC(=O)[C@H](Cc1ccccc1)O OPH [0,1,1,0,0,0|2,0,0]=4
20  B13R1.152  C[C@@H](c1ccccc1)[C@@H](C(=O)O)N 41H [0,1,1,0,0,0|2,0,0]=4
21  B13R1.152  C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,1,1,0,0,0|2,0,0]=4
22  B11R1.40  CC[C@H](Cc1ccccc1)N PO0 [0,0,1,0,1,0|1,0,1]=4
23  B11R1.36  C[C@H](c1ccccc1)C(=O)O GRO [0,0,1,0,1,0|1,0,0]=3
24  B11R1.36  c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,0,1,0,1,0|2,0,0]=4
25  B11R1.36  c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,1,0,1,0|2,0,0]=4
26  B11R1.36  c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,0,1,0,1,0|2,0,0]=4
27  B11R1.36  c1ccc(cc1)[C@H](C(=O)O)N PGY [0,0,1,0,1,0|2,0,0]=4
28  B11R1.36  c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,1,0,1,0|2,0,0]=4
29  B11R1.36  c1ccc(cc1)[C@H](C(=O)O)S RTD [0,0,1,0,1,0|2,0,0]=4
30  B11R2.4  c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,0,2,0|0,0,1]=3
31  B11R2.4  c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,0,2,0|0,0,2]=4