0  B10R1.66  NC(=O)NCC1=CC=CS1 BTB05399 [0,0,0,0,0,0|2,1,0]=3
1  B10R1.66  NC(=S)NCC1=CC=CO1 GK03251 [0,0,0,0,0,0|2,1,0]=3
2  B10R1.66  O=C(O)CCC1=CC=CS1 RJC01494 [0,0,0,0,0,0|1,1,0]=2
3  B11R1.25  CNC(=S)NCC1=CC=CO1 GK03240 [0,1,0,0,0,0|1,1,0]=3
4  B11R1.25  CSC(=N)NCC1=CC=CO1 SJC00409 [0,1,0,0,0,0|2,0,0]=3
5  B11R1.25  NNC(=O)CSC1=CC=CS1 KM04491 [0,1,0,0,0,0|2,1,0]=4
6  B11R1.25  NNC(=S)NCC1=CC=CO1 SPB07149 [0,1,0,0,0,0|2,1,0]=4
7  B11R1.510  CS(=O)(=O)NCC1=CC=CS1 KM04421 [0,1,0,0,0,0|2,1,0]=4
8  B11R1.91  NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,0,0,0,1|3,0,0]=4
9  B11R1.91  NC(=O)NCC1=NC=CC=C1 BTB05401 [0,0,0,0,0,1|3,0,0]=4
10  B11R1.91  O=C(O)CCC1=CC=CN=C1 HTS01877 [0,0,0,0,0,1|2,0,0]=3
11  B11R1.91  O=C(O)CSC1=NC=CC=C1 BTB05540 [0,0,0,0,0,1|3,0,0]=4
12  B11R1.172  CC(=O)NCCC1=CNC=N1 AC22864 [0,0,0,0,0,1|2,0,0]=3
13  B12R1.21  CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,1,0,0,0,1|2,0,0]=4
14  B12R1.27  COC(=O)NCC1=CC=CC=C1 JFD01099 [0,1,0,0,0,1|2,0,0]=4
15  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.107  CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,1,0,0,0,1|2,0,0]=4
17  B12R1.107  CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.107  NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,1,0,0,0,1|2,0,0]=4
19  B12R1.125  CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,1,0,0,0,1|2,0,0]=4
20  B12R1.54  CC(=O)CCC(=O)C1=CC=CO1 SEW06316 [0,1,0,0,0,1|0,0,0]=2
21  B12R1.54  CC(=O)CCC(=O)C1=CC=CS1 SEW06323 [0,1,0,0,0,1|0,1,0]=3
22  B12R1.54  O=C(O)CCC(=O)C1=CC=CS1 BTB10644 [0,1,0,0,0,1|1,1,0]=4
23  B12R1.477  N\C(CSCC1=CC=CO1)=N/O SPB02483 [0,1,0,0,0,1|1,0,1]=4
24  B12R1.51  N#CCC(=O)NCC1=CC=CO1 DP00466 [0,2,0,0,0,0|1,0,0]=3
25  B12R1.51  N#CCC(=O)NCC1=CC=CS1 CD05988 [0,2,0,0,0,0|1,1,0]=4
26  B12R2.6  O=C1CSC(C2=CC=CS2)C1 KM05246 [0,0,0,1,0,1|0,1,0]=3
27  B12R2.6  O=C1CSC(C2=CC=CS2)N1 S08134 [0,0,0,1,0,1|1,1,0]=4
28  B12R1.252  CC(=N)NCCC1=CC=NC=C1 CD08170 [0,0,0,0,0,2|2,0,0]=4
29  B12R1.252  NC(=O)NCCC1=CC=CC=C1 RJC03754 [0,0,0,0,0,2|2,0,0]=4
30  B12R1.252  O=C(O)CCCC1=CC=CC=C1 SB02007 [0,0,0,0,0,2|2,0,0]=4
31  B12R1.252  O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,0,0,0,0,2|2,0,0]=4
32  B12R1.252  O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,0,0,0,0,2|2,0,0]=4
33  B12R1.252  O=C(O)CSCC1=CC=CC=C1 CD04055 [0,0,0,0,0,2|2,0,0]=4
34  B12R1.255  O=C(O)CCCCC1=CC=CS1 JFD01271 [0,0,0,0,0,2|1,1,0]=4