0  B8R1.7  C(C)(=O)C1=CSC=C1 ACS010766 [0,0,0,0,0,0|3,0,1]=4
1  B8R1.7  C(C)(=O)C=1OC=CC1 ACS015299 [0,0,0,0,0,0|1,1,2]=4
2  B8R1.7  N1C(=NC=C1)C(=O)O ACS024127 [0,0,0,0,0,0|2,0,2]=4
3  B8R1.7  N1C(CCC1)C(=O)O ACS015390 [0,0,0,0,0,0|2,0,2]=4
4  B8R1.7  N1N=C(C=C1)C(=O)O ACS023899 [0,0,0,0,0,0|3,0,1]=4
5  B8R1.7  N=1NN=C(C1)C(=O)O ACS019298 [0,0,0,0,0,0|4,0,0]=4
6  B8R1.7  O1C(CCC1)C(=O)O ACS011004 [0,0,0,0,0,0|2,1,1]=4
7  B8R1.7  O1C=NC(=C1)C(=O)O ACS017722 [0,0,0,0,0,0|3,0,1]=4
8  B8R1.7  O1N=C(C=C1)C(=O)O ACS023815 [0,0,0,0,0,0|3,0,1]=4
9  B8R1.7  S1C(=CC=C1)C(=O)O ACS015397 [0,0,0,0,0,0|2,0,2]=4
10  B8R1.7  S1C(=NC=C1)C(=O)O ACS019006 [0,0,0,0,0,0|1,0,2]=3
11  B7R1.1  C1(CCCC1)C=O ACS012176 [1,0,0,0,0,0|2,0,1]=4
12  B7R1.1  N1C(=NC=C1)C=O ACS024128 [1,0,0,0,0,0|1,0,2]=4
13  B7R1.1  N1C=NC(=C1)C=O ACS011184 [1,0,0,0,0,0|2,0,1]=4
14  B7R1.1  S1C(=CC=C1)C=O ACS015395 [1,0,0,0,0,0|1,0,2]=4
15  B7R1.1  S1C=NC(=C1)C=O ACS018767 [1,0,0,0,0,0|2,0,1]=4
16  B9R1.11  COC(=O)C1=CCCC1 ACS010359 [0,1,0,0,0,0|2,0,0]=3
17  B9R1.35  BrC=1N=C(SC1)C(=O)O ACS023844 [0,1,0,0,0,0|1,0,2]=4
18  B9R1.41  CC=1N=CSC1C(C)=O ACS018763 [0,1,0,0,0,0|2,0,1]=4
19  B9R1.41  IC1=C(SC=C1)C(C)=O ACS020424 [0,1,0,0,0,0|1,0,2]=4
20  B7R0.4  CC(C=CCCC)=O ACS011915 [0,0,1,0,0,0|2,0,0]=3
21  B7R0.5  C(C(=O)N)(=S)OCC ACS023710 [0,0,1,0,0,0|2,0,1]=4
22  B7R0.15  COC(C(=O)C)OC ACS011290 [0,0,1,0,0,0|1,1,1]=4
23  B9R1.6  C(C)(=O)C=1C=NC=CC1 ACS015120 [0,0,0,0,0,1|1,0,2]=4
24  B9R1.6  C(C)(=O)N1CCNCC1 ACS015300 [0,0,0,0,0,1|3,0,0]=4
25  B9R1.6  CC(=O)c1ncccn1 ACS023767 [0,0,0,0,0,1|1,0,2]=4
26  B9R1.6  N1=CN=C(C=C1)C(C)=O ACS019012 [0,0,0,0,0,1|1,0,2]=4
27  B6R0.3  O=C(C(=O)O)CC ACS023994 [1,0,1,0,0,0|1,1,0]=4
28  B6R0.3  O=C(C(=O)[O-])CC ACS024011 [1,0,1,0,0,0|1,1,0]=4
29  B6R1.2  C1(CCCC1)=O ACS012220 [2,0,0,0,0,0|2,0,0]=4
30  B6R1.2  S1C(NCC1)=O ACS011643 [2,0,0,0,0,0|0,0,1]=3
31  B10R1.54  BrC=1N=C(SC1)NC(C)=O ACS018780 [0,1,0,0,0,1|0,0,2]=4
32  B10R1.54  ClC=1N=C(SC1)NC(C)=O ACS018779 [0,1,0,0,0,1|0,0,2]=4
33  B10R1.14  CC1=CN=C(S1)C(=O)OC ACS012068 [0,2,0,0,0,0|0,0,2]=4
34  B6R1.11  C1(CC1)C(=O)Cl ACS016497 [0,0,0,0,2,0|1,0,1]=4
35  B6R1.11  C1(CC1)C(=O)N ACS014088 [0,0,0,0,2,0|1,0,1]=4