0  B9R1.35  CC(O)C1=CC=C(Cl)S1 CS-0378448 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.35  O=C(O)C1=CN=C(Br)O1 CS-0132105 [0,0,0,0,0,0|2,1,0]=3
2  B9R1.35  O=C(O)C1=NNC(F)=C1 CS-0184807 [0,0,0,0,0,0|2,1,0]=3
3  B8R1.1  O=CC1=CSC(F)=C1 CS-0185288 [1,0,0,0,0,0|0,1,0]=2
4  B8R1.7  CC(=O)C1=NSC=C1 CS-0567763 [1,0,0,0,0,0|2,0,0]=3
5  B8R1.7  C[C@H](N)C1=CSC=C1 CS-0266725 [1,0,0,0,0,0|2,0,1]=4
6  B10R1.31  C#CC1=CC=C(C(=O)O)S1 CS-0333864 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.113  NC(=O)C1=CC(F)=NC=C1 CS-0375697 [0,0,0,0,0,1|2,1,0]=4
8  B9R1.11  COC(=O)C1=CN=CN1 CS-0043864 [1,1,0,0,0,0|2,0,0]=4
9  B9R1.11  N[C@H](CO)C1=CSC=C1 CS-0112425 [1,1,0,0,0,0|1,0,1]=4
10  B11R1.22  COC(=O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 CS-0640731 [0,1,0,0,0,1|2,0,0]=4
11  B11R1.166  NC1=CN=C(C(=O)O)C(Cl)=N1 CS-0533806 [0,1,0,0,0,1|2,0,0]=4
12  B11R1.159  CC1=C(Cl)C=CN=C1C(=O)O CS-0210567 [0,1,0,0,0,1|1,0,0]=3
13  B11R1.159  O=C(O)C1=NC=CC(F)=C1O CS-0634586 [0,1,0,0,0,1|1,1,0]=4
14  B11R1.159  O=C(O)C1=NC=CC(I)=C1F CS-0343543 [0,1,0,0,0,1|1,1,0]=4
15  B11R1.167  O=C([O-])C1=C(F)C=CC(Cl)=C1 CS-0445802 [0,1,0,0,0,1|1,0,1]=4
16  B11R1.473  CCC1=C(C)C(C(=O)O)=CS1 CS-1175546 [0,2,0,0,0,0|1,0,0]=3
17  B11R1.20  O=C(O)CC1=CNC(=O)C=C1 CS-0694636 [0,0,0,0,0,2|2,0,0]=4
18  B11R1.75  CC1=NC(\C=C\C(=O)O)=CS1 CS-0651568 [0,0,0,0,0,2|2,0,0]=4