0  B17R3.3  Cn1ccc2c(C3CCCN3)cccc21 Amb23538978 [0,0,0,0,0,0|3,0,1]=4
1  B17R3.3  Cn1ccc2c(C3CCNC3)cccc21 Amb33421131 [0,0,0,0,0,0|1,0,2]=3
2  B17R3.3  Cn1ccc2c(C3CCNC3)nccc21 Amb18787352 [0,0,0,0,0,0|2,0,2]=4
3  B17R3.3  Cn1cnc2c(C3CCNC3)ncnc21 Amb18176815 [0,0,0,0,0,0|2,0,2]=4
4  B16R3.5924  C1=C(c2cccc3cnsc23)CNC1 Amb35687824 [1,0,0,0,0,0|3,0,0]=4
5  B16R2.6344  Cn1nnc2c(\C=C\CCBr)cccc21 Amb29872170 [0,0,1,0,0,0|3,0,0]=4
6  B16R2.6344  Cn1nnc2c(\C=C\CCCl)cccc21 Amb29872169 [0,0,1,0,0,0|3,0,0]=4
7  B16R2.29735  C=C(CCN)c1cccc2c1ccn2C Amb33420284 [0,0,1,0,0,0|1,0,2]=4
8  B16R2.29735  CC(CCN)c1cccc2c1ccn2C Amb33421091 [0,0,1,0,0,0|1,0,2]=4
9  B16R2.29735  CCCC(=O)c1cccc2c1nnn2C Amb35605157 [0,0,1,0,0,0|3,0,0]=4
10  B16R2.29735  CCOC(=O)c1cccc2c1ncn2C Amb31206811 [0,0,1,0,0,0|3,0,0]=4
11  B16R2.29735  CNCC(=O)c1cccc2c1ccn2C Amb33421022 [0,0,1,0,0,0|2,0,0]=3
12  B16R2.29735  CNCC(=O)c1cccc2c1nnn2C Amb29872490 [0,0,1,0,0,0|2,0,0]=3
13  B16R2.29735  CNCC(O)c1cccc2c1ccn2C Amb33421028 [0,0,1,0,0,0|2,0,1]=4
14  B16R2.29735  COCC(=O)c1cccc2c1nnn2C Amb35605160 [0,0,1,0,0,0|3,0,0]=4
15  B16R2.29735  CSCC(=O)c1cccc2c1nnn2C Amb35605162 [0,0,1,0,0,0|3,0,0]=4
16  B16R2.29735  Cn1ccc2c(C(=O)CCN)cccc21 Amb33421092 [0,0,1,0,0,0|2,0,1]=4
17  B16R2.29735  Cn1nnc2c(C(=O)CCN)cccc21 Amb29872489 [0,0,1,0,0,0|2,0,1]=4
18  B16R3.4  Cn1ccc2c(C3CCN3)cccc21 Amb33420652 [0,0,0,0,1,0|1,0,2]=4
19  B16R3.4  Cn1ccc2c(C3CNC3)cccc21 Amb33420653 [0,0,0,0,1,0|1,0,1]=3
20  B16R3.4  Cn1nnc2c(C3CNC3)cccc21 Amb35605203 [0,0,0,0,1,0|1,0,1]=3
21  B18R3.1  Cn1ccc2c(C3CCCNC3)cccc21 Amb18657704 [0,0,0,0,0,1|1,0,2]=4
22  B18R3.1  Cn1ccc2c(C3CCNCC3)cccc21 Amb31135702 [0,0,0,0,0,1|1,0,2]=4
23  B18R3.1  Cn1ccc2c(C3CNCCO3)cccc21 Amb33421061 [0,0,0,0,0,1|1,0,2]=4
24  B18R3.1  Cn1ccc2c(N3CCNCC3)cccc21 Amb18563070 [0,0,0,0,0,1|2,0,1]=4
25  B18R3.1  Cn1cnc2c(N3CCNCC3)cccc21 Amb18770176 [0,0,0,0,0,1|1,0,1]=3
26  B18R3.4  Cn1ccc2c(CC3CCNC3)cccc21 Amb33420647 [0,0,0,0,0,1|1,0,2]=4
27  B18R3.4  Cn1ccc2c(OC3CCNC3)cccc21 Amb33473898 [0,0,0,0,0,1|1,0,2]=4
28  B15R2.61  CC(C)c1cccc(C2=CCNC2)c1 Amb29883060 [1,0,1,0,0,0|1,0,1]=4
29  B15R2.1445  CCNCc1cccc2c1nnn2C Amb29872213 [1,0,1,0,0,0|1,0,1]=4
30  B15R2.1445  CNCCc1cccc2c1ccn2C Amb33422791 [1,0,1,0,0,0|1,0,1]=4
31  B15R2.1445  CNCCc1cccc2c1nnn2C Amb29876122 [1,0,1,0,0,0|1,0,1]=4
32  B15R2.1445  Cn1ccc2c(\C=C\CN)cccc21 Amb33420333 [1,0,1,0,0,0|1,0,0]=3
33  B15R2.1445  Cn1ccc2c(\C=C\CO)cccc21 Amb33420334 [1,0,1,0,0,0|2,0,0]=4
34  B15R2.1445  Cn1cnc2c(CCCN)cccc21 Amb18819971 [1,0,1,0,0,0|0,0,2]=4
35  B15R2.19303  C=C(CBr)c1cccc2c1ccn2C Amb33335640 [1,0,1,0,0,0|2,0,0]=4
36  B15R2.19303  C=C(CN)c1cccc2c1ccn2C Amb33420338 [1,0,1,0,0,0|1,0,0]=3
37  B15R2.19303  CC(CN)c1cccc2c1ccn2C Amb33421093 [1,0,1,0,0,0|1,0,1]=4
38  B15R2.19303  CC(CN)c1cccc2c1nnn2C Amb29872265 [1,0,1,0,0,0|1,0,1]=4
39  B15R2.19303  CCC(=O)c1cccc2c1nnn2C Amb35605152 [1,0,1,0,0,0|2,0,0]=4
40  B15R2.19303  CNC(=N)c1cccc2c1ccn2C Amb21967140 [1,0,1,0,0,0|2,0,0]=4
41  B15R2.19303  CNC(=O)c1cccc2c1ccn2C Amb26951659 [1,0,1,0,0,0|2,0,0]=4
42  B15R2.19303  Cn1ccc2c(C(=O)CN)cccc21 Amb33421415 [1,0,1,0,0,0|2,0,0]=4
43  B15R2.19303  Cn1nnc2c(C(=O)CN)cccc21 Amb29872487 [1,0,1,0,0,0|2,0,0]=4
44  B17R3.1896  Cn1ccc2c(C3(O)CNC3)cccc21 Amb33420216 [0,1,0,0,1,0|1,0,1]=4
45  B19R3.44  CCc1cnc2c(C3=CCNC3)cccc2c1 Amb24092248 [0,1,0,0,0,1|1,0,0]=3