0  B16R2.2122  CCCNC(=O)c1ccc2cncn2c1 WXVL_AK00504SE0534 [0,0,1,0,0,0|3,0,0]=4
1  B16R2.2122  CCCNC(=O)c1ccc2cncn2c1 WXVL_AK00504SE0534 [0,0,1,0,0,0|3,0,0]=4
2  B16R2.2122  O=C(NCCF)c1ccc2cncn2c1 WXVL_AK00466SE0534 [0,0,1,0,0,0|3,0,0]=4
3  B16R2.2122  O=C(NCCF)c1ccc2cncn2c1 WXVL_AK00466SE0534 [0,0,1,0,0,0|3,0,0]=4
4  B16R3.1779  c1cc(no1)c2ccc3cncn3c2 WXVL_LR0685BT3822 [0,0,0,0,1,0|1,0,2]=4
5  B16R3.1779  c1cc2cncn2cc1c3cn[nH]n3 WXVL_LR0395BT3822 [0,0,0,0,1,0|2,0,0]=3
6  B16R3.1779  c1cc2cncn2cc1c3cnoc3 WXVL_LR0706BT3822 [0,0,0,0,1,0|1,0,2]=4
7  B16R3.1779  c1cc2cncn2cc1c3cnsc3 WXVL_LR0652BT3822 [0,0,0,0,1,0|1,0,2]=4
8  B16R3.1779  c1cc2nncn2cc1c3cn[nH]n3 WXVL_LR0395BT3606 [0,0,0,0,1,0|3,0,0]=4
9  B16R3.1779  c1cc2nncn2cc1c3cn[nH]n3 WXVL_LR0395BT9977 [0,0,0,0,1,0|3,0,0]=4
10  B16R3.1779  c1csc(c1)c2ccc3cncn3c2 WXVL_LR0498BT3822 [0,0,0,0,1,0|1,0,2]=4
11  B16R3.1779  c1nc(n[nH]1)c2ccc3cncn3c2 WXVL_LR0419BT3822 [0,0,0,0,1,0|2,0,1]=4
12  B16R3.1779  c1ncc([nH]1)c2ccc3cncn3c2 WXVL_LR0418BT3822 [0,0,0,0,1,0|1,0,1]=3
13  B16R3.1779  c1ncc([nH]1)c2ccc3nncn3c2 WXVL_LR0418BT3606 [0,0,0,0,1,0|2,0,1]=4
14  B16R3.1779  c1ncc([nH]1)c2ccc3nncn3c2 WXVL_LR0418BT9977 [0,0,0,0,1,0|2,0,1]=4
15  B15R2.1350  CCNC(=O)c1ccc2cncn2c1 WXVL_AK00476SE0534 [1,0,1,0,0,0|1,0,0]=3
16  B15R2.1350  CCNC(=O)c1ccc2cncn2c1 WXVL_AK00476SE0534 [1,0,1,0,0,0|1,0,0]=3
17  B15R2.1350  CCNC(=O)c1ccc2nncn2c1 WXVL_AK00476SE0460 [1,0,1,0,0,0|2,0,0]=4
18  B15R2.1350  CCNC(=O)c1ccc2nncn2c1 WXVL_AK00476SE0460 [1,0,1,0,0,0|2,0,0]=4
19  B17R2.2316  CCCCNC(=O)c1ccc2cncn2c1 WXVL_AK00588SE0534 [0,1,1,0,0,0|2,0,0]=4
20  B17R2.2316  CCCCNC(=O)c1ccc2cncn2c1 WXVL_AK00588SE0534 [0,1,1,0,0,0|2,0,0]=4
21  B17R3.2399  Cn1cc(cn1)c2ccc3cncn3c2 WXVL_LR0394BT3822 [0,1,0,0,1,0|1,0,1]=4
22  B17R3.8  C1=C(CCCC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT0857 [0,0,1,1,0,0|1,0,0]=3
23  B17R3.8  C1=C(CCCC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT0936 [0,0,1,1,0,0|1,0,0]=3
24  B17R3.8  C1=C(CCCC1)c2csc3c2cccn3 WXVL_LR0769BT0857 [0,0,1,1,0,0|2,0,0]=4
25  B17R3.8  C1=C(CCCC1)c2csc3c2cccn3 WXVL_LR0769BT0936 [0,0,1,1,0,0|2,0,0]=4
26  B17R3.8  C1=C(CCCO1)c2c[nH]c3c2cccn3 WXVL_LR0626BT5734 [0,0,1,1,0,0|2,0,0]=4
27  B17R3.8  C1=C(CCNC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1900 [0,0,1,1,0,0|2,0,0]=4
28  B17R3.8  C1=C(CCOC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1028 [0,0,1,1,0,0|2,0,0]=4
29  B17R3.8  C1=C(CCOC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1362 [0,0,1,1,0,0|2,0,0]=4
30  B17R3.8  C1=C(CCSC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1320 [0,0,1,1,0,0|2,0,0]=4
31  B17R3.8  C1=C(OCCC1)c2c[nH]c3c2cccn3 WXVL_LR0626BT4259 [0,0,1,1,0,0|2,0,0]=4