0  B9R1.13  CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,0,0|0,1,0]=1
1  B9R1.13  CC(C)CC1=NC=CN1 BB12-2831 [0,0,0,0,0,0|3,0,1]=4
2  B9R1.13  CN(C)CC1=CC=CN1 BB12-1785 [0,0,0,0,0,0|3,0,0]=3
3  B9R1.13  N=C(N)CC1=CC=CS1 BB12-3709 [0,0,0,0,0,0|2,1,0]=3
4  B9R1.13  O=C(O)CN1C=CN=C1 BB01-4993 [0,0,0,0,0,0|4,0,0]=4
5  B8R1.8  NCCC1=CC=CO1 BB01-5388 [1,0,0,0,0,0|1,0,1]=3
6  B10R1.23  NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,1,0,0,0,0|1,1,0]=3
7  B10R1.27  C\C(C=O)=C/C1=CC=CO1 BB17-1881 [0,1,0,0,0,0|0,0,1]=2
8  B10R1.54  CC1=CC=C(CC(=O)O)S1 BB56-0024 [0,1,0,0,0,0|1,1,0]=3
9  B10R1.54  O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [0,1,0,0,0,0|1,1,0]=3
10  B8R1.7  CC(=O)C1=NN=CN1 BB17-0204 [0,0,0,0,1,0|3,0,0]=4
11  B8R1.7  O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,1,0|3,0,0]=4
12  B8R1.7  OB(O)C1=CC=CO1 BB56-0777 [0,0,0,0,1,0|2,0,1]=4
13  B10R1.18  CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,1|2,0,0]=3
14  B10R1.66  CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,0,0,0,0,1|0,0,1]=2
15  B7R1.1  CCC1=NNC=C1 BB12-3522 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.7  CNCC1=CC(C)=NO1 BB55-3950 [1,1,0,0,0,0|2,0,0]=4
17  B9R1.12  O=C=NCC1=CC=CS1 BB12-1538 [1,1,0,0,0,0|0,1,1]=4
18  B9R1.35  CC1=CC=C(C(=N)N)O1 BB12-3708 [0,1,0,0,1,0|2,0,0]=4
19  B9R1.41  NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,0,1,0|1,1,0]=4
20  B11R1.20  CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.20  CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.20  NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,0,1|2,0,0]=4
23  B11R1.36  NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.40  NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,1|2,0,0]=4
25  B11R1.40  O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.86  CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.157  CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.25  NCC(=O)NCC1=CC=CO1 BB53-1842 [0,1,0,0,0,1|0,0,0]=2
29  B11R1.75  CC(=O)OCC1=NC(C)=NO1 BB12-3527 [0,1,0,0,0,1|2,0,0]=4
30  B11R1.77  NC(CC(=O)O)C1=CC=CS1 BB01-4064 [0,1,0,0,0,1|1,1,0]=4
31  B11R1.510  CS(=O)(=O)NCC1=CC=CO1 BB17-1504 [0,1,0,0,0,1|1,0,0]=3
32  B11R1.30  CCOC(=O)CN1C=CC=C1 BB56-2158 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.39  CNC(=O)CN1C=C(N)C=N1 BB55-4197 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.228  COC(=O)CC1=CC=CN1C BB12-2253 [0,2,0,0,0,0|1,0,0]=3
35  B11R1.645  CC(=O)CN1N=C(C)C=C1C BB12-2870 [0,2,0,0,0,0|2,0,0]=4
36  B11R1.91  O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,0,2|2,0,0]=4
37  B11R1.91  O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,2|2,0,0]=4