0  B9R1.13  CC(=O)CN1C=CN=C1 BB52-8511 [1,0,0,0,0,0|3,0,0]=4
1  B9R1.13  CC(=O)NC1=CC=NN1 BB52-7769 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.57  CCC1=NC=CN1CC(C)=O BB52-8505 [0,1,0,0,0,0|3,0,0]=4
3  B9R0.2  C\C=C\C=C\COC(C)=O BB31-2942 [0,0,1,0,0,0|1,1,1]=4
4  B9R1.41  CC(=O)C1=CNC=C1C BB31-4047 [0,0,0,0,1,0|2,0,0]=3
5  B9R1.41  NC(=O)C1=C(N)SC=C1 BB52-8541 [0,0,0,0,1,0|2,1,0]=4
6  B9R1.41  NC1=C(C(=O)O)C=CS1 BB32-3009 [0,0,0,0,1,0|2,1,0]=4
7  B9R1.41  O=C(O)C1=C(Br)OC=C1 BB31-3871 [0,0,0,0,1,0|2,0,0]=3
8  B11R1.86  CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,0,0,0,0,1|3,0,0]=4
9  B11R1.86  CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,0,0,0,0,1|3,0,0]=4
10  B11R1.157  CC(=O)OC1=CC=CC(Cl)=C1 BB31-1635 [0,0,0,0,0,1|2,1,0]=4
11  B8R1.11  CC1=CSC=C1C=O BB32-4004 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.59  CC(=O)C1=C(Br)SC(Br)=C1 BB31-4825 [0,1,0,0,1,0|1,1,0]=4
13  B10R1.59  CC1=CC(C(=O)O)=C(C)N1 BB52-2375 [0,1,0,0,1,0|2,0,0]=4
14  B10R1.192  CC1=NOC(C)=C1C(=O)O BB52-8542 [0,1,0,0,1,0|2,0,0]=4
15  B12R1.233  CC(=O)NC1=CN=C(Cl)C=C1C BB32-3699 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.371  COC(=O)NC1=C(C)C=CN=C1 BB31-7217 [0,1,0,0,0,1|2,0,0]=4
17  B12R2.606  CC1=CC2=C(C=C1)NC(=O)S2 BB32-2400 [0,0,0,1,0,1|2,0,0]=4
18  B8R1.7  CC(=O)C1=CC=NO1 BB31-6420 [1,0,0,0,1,0|2,0,0]=4
19  B8R1.7  CC(=O)C1=CN=CO1 BB31-9843 [1,0,0,0,1,0|2,0,0]=4
20  B8R1.7  NC(=O)C1=COC=C1 BB32-3212 [1,0,0,0,1,0|1,0,0]=3