0  B7R1.2  C1C(=O)N=C(S1)N A2Z00096085 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.2  C1C(=O)N=C(S1)O A2Z00096716 [0,0,0,0,0,0|2,0,1]=3
2  B7R1.2  C1C(=O)NC(=N)S1 A2Z00096693 [0,0,0,0,0,0|3,0,0]=3
3  B7R1.2  C1C(=O)NC(=O)S1 A2Z00014660 [0,0,0,0,0,0|2,0,0]=2
4  B7R1.2  C1CC(=O)OC1O A2Z00096558 [0,0,0,0,0,0|0,0,2]=2
5  B7R1.2  CC1=CC(=O)CC1 A2Z00096078 [0,0,0,0,0,0|2,0,0]=2
6  B7R1.2  CC1CNC(=O)O1 A2Z00096651 [0,0,0,0,0,0|2,0,1]=3
7  B7R1.2  c1c([nH]c(=O)s1)O A2Z00096718 [0,0,0,0,0,0|2,0,2]=4
8  B6R1.2  C1CC(=N)NC1 A2Z00096075 [1,0,0,0,0,0|2,0,1]=4
9  B6R1.2  C1CC(=O)C=C1 A2Z00096072 [1,0,0,0,0,0|1,0,0]=2
10  B6R1.2  C1CC(=O)OC1 A2Z00038638 [1,0,0,0,0,0|0,0,1]=2
11  B6R1.2  C1CNCC1=O A2Z00050357 [1,0,0,0,0,0|2,0,0]=3
12  B6R1.2  C1COC(=O)N1 A2Z00096076 [1,0,0,0,0,0|1,0,1]=3
13  B8R1.1  Cc1cnc(o1)C=O A2Z00050355 [0,1,0,0,0,0|2,0,1]=4
14  B8R1.1  c1cc(oc1C=O)I A2Z00064077 [0,1,0,0,0,0|1,0,2]=4
15  B8R1.51  CC1(CCC(=O)C1)C A2Z00096352 [0,1,0,0,0,0|2,0,1]=4
16  B6R0.1  CCOC(=O)CBr A2Z00093566 [0,0,1,0,0,0|2,0,1]=4
17  B6R0.2  C(C(=O)O)C(=O)O A2Z00038640 [0,0,1,0,0,0|3,0,0]=4
18  B6R0.4  C(CC(=O)N)CCl A2Z00070345 [0,0,1,0,0,0|2,0,1]=4
19  B6R0.4  C=CCOC(=O)Cl A2Z00093512 [0,0,1,0,0,0|3,0,0]=4
20  B6R0.4  CC(=O)CCCCl A2Z00094593 [0,0,1,0,0,0|2,0,1]=4
21  B8R1.3  C1=CC(=O)C=CC1=O A2Z00093502 [0,0,0,0,0,1|1,0,2]=4
22  B8R1.4  C1CNC(=O)CC1=O A2Z00096248 [0,0,0,0,0,1|1,0,0]=2
23  B5R0.1  C(C#N)C(=O)O A2Z00093469 [1,0,1,0,0,0|1,0,1]=4
24  B5R0.1  C(CBr)C(=O)N A2Z00070352 [1,0,1,0,0,0|2,0,0]=4
25  B5R0.1  CC(=O)CCN A2Z00069826 [1,0,1,0,0,0|2,0,0]=4
26  B5R0.1  CCCC(=O)O A2Z00093490 [1,0,1,0,0,0|0,0,1]=3
27  B5R0.1  CNCC(=O)O A2Z00095987 [1,0,1,0,0,0|1,0,1]=4
28  B5R0.3  C(C(=O)C=O)O A2Z00050060 [1,0,1,0,0,0|1,0,0]=3
29  B5R0.3  COC(=O)C=C A2Z00093487 [1,0,1,0,0,0|2,0,0]=4
30  B5R0.3  COC(=O)CI A2Z00098171 [1,0,1,0,0,0|1,0,1]=4
31  B5R1.1  C1COC=C1 A2Z00050496 [2,0,0,0,0,0|0,0,2]=4
32  B7R0.2  CC(=O)CC(=O)OC A2Z00093511 [0,1,1,0,0,0|2,0,0]=4
33  B7R0.2  COC(=O)CC(=O)Cl A2Z00050191 [0,1,1,0,0,0|2,0,0]=4
34  B7R0.3  COC(=O)CNC=O A2Z00096713 [0,1,1,0,0,0|2,0,0]=4
35  B7R0.5  CCOC(=O)C(C)Br A2Z00093565 [0,1,1,0,0,0|1,0,1]=4
36  B7R0.7  CCNC(=O)OCC A2Z00095021 [0,1,1,0,0,0|1,0,1]=4
37  B7R0.4  C(CCS)CC(=O)O A2Z00070146 [0,1,1,0,0,0|0,1,1]=4
38  B7R0.4  C(CSCC(=O)O)N A2Z00070138 [0,1,1,0,0,0|1,0,1]=4
39  B7R0.4  C=CCSCC(=O)O A2Z00097871 [0,1,1,0,0,0|1,0,0]=3
40  B7R0.4  CSCCCC(=O)O A2Z00070144 [0,1,1,0,0,0|0,1,1]=4
41  B7R0.6  CN(C)CCC(=O)O A2Z00094718 [0,1,1,0,0,0|2,0,0]=4
42  B9R1.2  C/1CNC(=O)C\C1=N/O A2Z00096559 [0,1,0,0,0,1|1,0,1]=4
43  B9R1.38  CC1(C(=O)NC(=O)N1)C A2Z00070029 [0,2,0,0,0,0|2,0,0]=4
44  B7R1.3  C1CC=CC(=O)C1 A2Z00096058 [0,0,1,1,0,0|2,0,0]=4
45  B5R0.5  CC(=O)N(C)N A2Z00094878 [0,0,1,0,1,0|2,0,0]=4
46  B5R0.5  CC(C(=O)C)Cl A2Z00093500 [0,0,1,0,1,0|1,0,1]=4
47  B5R1.2  C1C(=O)CO1 A2Z00096164 [1,0,0,0,1,0|1,0,1]=4