0  B13R1.418  NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,1,0,0,0,0|1,0,2]=4
1  B13R1.418  NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,1,0,0,0,0|1,0,2]=4
2  B13R1.418  NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,1,0,0,0,0|1,0,2]=4
3  B13R2.369  CC1=C(N)C=C2N=CC=CC2=C1 C72193 [0,0,0,1,0,0|2,0,1]=4
4  B13R2.369  CC1=NC2=CC=CC=C2C=C1Br P17804 [0,0,0,1,0,0|2,0,0]=3
5  B13R2.423  O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,0|1,0,2]=4
6  B13R2.435  O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,0,0,1,0,0|3,0,0]=4
7  B13R2.435  O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,0,0,1,0,0|3,0,0]=4
8  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,0,0,0,1,0|2,0,1]=4
9  B13R1.348  C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,0,0,0,0,1|2,0,1]=4
10  B12R1.21  CC(=O)\C=C\C1=NC=C(C)C=C1 79382 [1,1,0,0,0,0|1,0,0]=3
11  B12R1.27  COC(=O)\C=C\C1=CC=NC=C1 D75467 [1,1,0,0,0,0|1,0,0]=3
12  B12R1.225  CC1=CC=CC([C@@H](C)C(=O)O)=C1 Y11075 [0,1,0,0,1,0|1,0,1]=4
13  B12R1.478  O=C(O)[C@H](CO)C1=CC=CC=C1 C91447 [0,1,0,0,1,0|1,0,1]=4
14  B12R1.478  O=C(O)[C@H](CO)C1=CC=CC=C1 C91448 [0,1,0,0,1,0|1,0,1]=4
15  B14R1.134  CC(=C/C1=CC=C(F)C=C1)\C(C)=N\O 82944 [0,2,0,0,0,0|0,0,1]=3
16  B14R1.536  N#C\C(=C/C1=CC=C(Br)C=C1)C(=O)O D85720 [0,2,0,0,0,0|1,0,1]=4
17  B12R2.32  O=CC1=CC2=C(C=CN=C2)O1 D79839 [1,0,0,1,0,0|2,0,0]=4
18  B12R2.32  O=CC1=CC2=C(C=NC=C2)S1 D79728 [1,0,0,1,0,0|2,0,0]=4
19  B14R2.768  CC(=O)CC1=CC2=C(C=CC=C2)N1 D93534 [0,0,0,1,0,1|1,0,0]=3
20  B14R2.260  CC1=CC(C2=CC=CC=C2)=CN1C AC9837 [0,0,0,1,0,1|2,0,0]=4
21  B14R2.741  CN1N=CC2=C(C=CC=C2)CC1=O C12631 [0,0,0,1,0,1|1,0,0]=3
22  B14R2.4529  CC(=O)[C@H]1CC2=C(C=C(F)C=C2)C1 D86830 [0,1,0,1,0,0|0,0,2]=4
23  B14R2.28472  O=C1NC2=C(Br)C=CC=C2C=C1F D72313 [0,1,0,1,0,0|2,0,0]=4