0  B9R1.11  CC(c1ccco1)NO EB60357 [0,0,0,0,0,0|3,1,0]=4
1  B9R1.11  CC(c1cccs1)NO EB60358 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.11  CNC(=O)c1cccs1 EB60998 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.11  c1cc(sc1)C(=O)C[NH3+] EB61215 [0,0,0,0,0,0|3,0,1]=4
4  B8R1.7  CC(c1ccco1)N EB60178 [1,0,0,0,0,0|2,1,0]=4
5  B8R1.7  CC(c1cccs1)N EB60327 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.7  c1csc(n1)C(=N)N EB11599 [1,0,0,0,0,0|2,0,1]=4
7  B10R1.11  CCOC(=N)c1cccs1 EB12158 [0,1,0,0,0,0|2,0,1]=4
8  B10R1.14  CCC(C)n1cc(cn1)N EB27083 [0,1,0,0,0,0|2,0,0]=3
9  B10R1.14  CCC(C)n1ccc(n1)N EB26083 [0,1,0,0,0,0|2,0,0]=3
10  B10R1.15  CC(c1cccnc1)NO EB60375 [0,0,0,0,0,1|3,0,0]=4
11  B7R1.1  c1csc(n1)C#N EB11598 [2,0,0,0,0,0|1,0,1]=4
12  B9R1.35  CC(C)c1nc(sn1)Cl EB12891 [1,1,0,0,0,0|2,0,0]=4
13  B9R1.35  CC(C)c1nnc(s1)N EB60754 [1,1,0,0,0,0|1,0,0]=3
14  B9R1.35  CC(C)n1cc(cn1)N EB27055 [1,1,0,0,0,0|2,0,0]=4
15  B9R1.35  CC(C)n1ccc(n1)N EB26055 [1,1,0,0,0,0|2,0,0]=4
16  B9R1.7  CCCc1nc(sn1)Cl EB12807 [1,1,0,0,0,0|2,0,0]=4
17  B9R1.7  CCCn1cc(cn1)N EB27051 [1,1,0,0,0,0|2,0,0]=4
18  B9R1.7  CCCn1ccc(n1)N EB26051 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.12  c1csc(n1)NCCN EB11540 [1,1,0,0,0,0|1,0,0]=3
20  B11R1.11  CCC(CC)n1cc(cn1)N EB27026 [0,2,0,0,0,0|2,0,0]=4
21  B11R1.11  CCC(CC)n1ccc(n1)N EB26026 [0,2,0,0,0,0|2,0,0]=4
22  B11R1.15  CCCC(C)n1cc(cn1)N EB27084 [0,2,0,0,0,0|2,0,0]=4
23  B11R1.15  CCCC(C)n1ccc(n1)N EB26084 [0,2,0,0,0,0|2,0,0]=4
24  B11R2.2  c1cc(oc1)C2CCCN2 EB60381 [0,1,0,1,0,0|1,1,0]=4
25  B11R2.2  c1cc(oc1)C2CCCN2 EB60502 [0,1,0,1,0,0|1,1,0]=4
26  B11R2.2  c1cc(sc1)C2CCCN2 EB60380 [0,1,0,1,0,0|1,0,0]=3
27  B9R1.6  CC(c1ccccn1)N EB60111 [1,0,0,0,0,1|2,0,0]=4
28  B9R1.6  CC(c1ccccn1)O EB60161 [1,0,0,0,0,1|2,0,0]=4
29  B9R1.6  CC(c1cccnc1)N EB60112 [1,0,0,0,0,1|2,0,0]=4
30  B9R1.6  CC(c1cccnc1)O EB60160 [1,0,0,0,0,1|2,0,0]=4
31  B11R1.25  CCC(C)NCc1ccco1 EB16923 [0,0,0,0,0,2|1,1,0]=4
32  B11R1.25  CCC(C)NCc1ccco1 EB17003 [0,0,0,0,0,2|1,1,0]=4
33  B11R1.25  CCC(C)NCc1cccs1 EB16939 [0,0,0,0,0,2|1,0,0]=3
34  B11R1.25  CCC(C)NCc1cccs1 EB17058 [0,0,0,0,0,2|1,0,0]=3