0  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.14  COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,0,0|3,0,0]=4
6  B8R0.23  [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,0,1,0,0,0|1,1,1]=4
7  B10R1.13  O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,0,0,0,0,1|2,0,0]=3
8  B10R1.13  O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,0,0,0,0,1|2,0,0]=3
9  B10R1.13  O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,0,0,0,0,1|2,0,0]=3
10  B10R1.13  O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,0,0,0,0,1|2,0,0]=3
11  B10R1.54  CN1C=NC(CC(=O)O)=C1 HY-W060470 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.113  CN1C=CCC(C(N)=O)=C1 HY-124313 [0,0,0,0,0,1|3,0,0]=4
13  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368A [0,0,0,0,0,1|2,0,1]=4
14  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368B [0,0,0,0,0,1|2,0,1]=4
15  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,0,0,0,0,1|2,0,1]=4
16  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,0,0,0,0,1|2,0,1]=4
17  B10R1.113  O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,0,0,0,0,1|2,0,0]=3
18  B10R1.113  O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,0,0,0,0,1|2,0,0]=3
19  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [1,0,1,0,0,0|1,1,0]=4
20  B7R1.1  O=CC1=CC=CN1 HY-77817 [2,0,0,0,0,0|2,0,0]=4
21  B7R1.1  O=CC1=COC=C1 HY-76224 [2,0,0,0,0,0|0,1,0]=3
22  B9R1.22  CC1=NC(C)=C(C=O)N1 HY-65067 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.21  O=C(O)C1=CC=C(Br)C(O)=C1 HY-W003445 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.22  NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [0,1,0,0,0,1|2,0,0]=4
25  B11R1.166  O=C(O)C1=CNC(=S)NC1=O HY-W052750 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.74  O=C1C=C(C(=O)O)NC(=O)N1 HY-N0157R [0,1,0,0,0,1|2,0,0]=4
27  B11R1.159  NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.159  O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,1,0,0,0,1|2,0,0]=4
29  B11R1.157  NC1=CC=CC(CC(=O)O)=C1 HY-W008015 [0,0,0,0,0,2|2,0,0]=4