0  B12R1.107  CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.91  O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [1,0,0,0,0,0|3,0,0]=4
2  B13R1.11  COC(=O)CC(=O)C1=CC=CC=C1 CS-0019251 [0,1,0,0,0,0|2,0,1]=4
3  B13R1.11  COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031374 [0,1,0,0,0,0|2,0,0]=3
4  B13R1.132  CC(=O)CC(=O)C1=CC=C(F)C=C1 CS-0060858 [0,1,0,0,0,0|2,0,1]=4
5  B13R1.132  N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 CS-0031370 [0,1,0,0,0,0|3,0,0]=4
6  B13R2.423  O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-W008367 [0,0,0,1,0,0|2,0,0]=3
7  B11R1.36  NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,0,0,0,1,0|2,0,0]=3
8  B11R1.36  O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,0,0,0,1,0|2,0,0]=3
9  B10R1.15  C#CC(C)C1=CC=CC=C1 CS-B0615 [2,0,0,0,0,0|0,0,2]=4
10  B10R1.15  C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [2,0,0,0,0,0|1,0,1]=4
11  B10R1.17  O=CC#CC1=CC=CC=C1 CS-W009214 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.30  CCOCC(N)C1=CC=CC=C1 CS-0069368 [1,1,0,0,0,0|1,0,1]=4
13  B12R1.34  COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [1,1,0,0,0,0|2,0,0]=4
14  B12R1.27  C=CC(=O)OCC1=CC=CC=C1 CS-W020607 [1,1,0,0,0,0|0,0,1]=3
15  B12R1.27  NCC(=O)OCC1=CC=CC=C1 CS-W005117 [1,1,0,0,0,0|0,0,0]=2
16  B12R1.27  O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [1,1,0,0,0,0|1,0,0]=3
17  B12R1.20  [C@H](N)(C(=O)O)C1=CC=C(F)C=C1 CS-0043796 [0,1,0,0,1,0|2,0,0]=4
18  B12R1.124  CC(C(=O)O)N1C=CC=CC1=O CS-0047254 [0,1,0,0,1,0|2,0,0]=4
19  B12R1.225  N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 CS-W020391 [0,1,0,0,1,0|2,0,0]=4
20  B14R1.417  CC(=O)CC(=O)N(C)C1=CC=CC=C1 CS-0036282 [0,1,0,0,0,1|2,0,0]=4
21  B14R1.6455  CC(=O)O[C@H](C(=O)Cl)C1=CC=CC=C1 CS-M1718 [0,2,0,0,0,0|0,0,1]=3
22  B12R2.2  C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [1,0,0,1,0,0|2,0,0]=4
23  B12R2.1081  C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [1,0,0,1,0,0|2,0,0]=4
24  B12R2.23  O=C1CCN1C2=CC=CC=C2 CS-0047218 [0,0,0,1,1,0|1,0,0]=3
25  B14R2.598  C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CS-0059145 [0,0,0,1,0,1|2,0,0]=4
26  B14R2.20  O=C1NCC(C2=CC=C(Br)C=C2)O1 CS-0037601 [0,1,0,1,0,0|1,0,0]=3
27  B14R2.4402  O=C(O)C1CC1C2=CC=C(Cl)C=C2 CS-0035601 [0,1,0,1,0,0|2,0,0]=4
28  B14R2.4402  O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 CS-0047731 [0,1,0,1,0,0|2,0,0]=4
29  B14R2.2  CC(=O)OC1CCC2=C1N=CC=C2 CS-0028380 [0,1,0,1,0,0|1,0,0]=3
30  B10R1.18  CC(=O)CC1=NC=CC=C1 CS-W008575 [1,0,0,0,1,0|1,0,0]=3
31  B10R1.18  CC(C)=CC1=CC=CC=C1 CS-W007259 [1,0,0,0,1,0|1,0,1]=4
32  B12R1.252  O=C(O)CNCC1=CC=CC=C1 CS-W016075 [1,0,0,0,0,1|2,0,0]=4