0  B25R4.4916043  O=C(Nc1ccn[nH]1)c2cc(n[nH]2)c3ccc4c(c3)OCO4 WXDL_WXCD00191766_BT2126_AF0122 [0,0,1,0,0,0|3,0,0]=4
1  B25R4.4916043  O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)CCO4 WXDL_WXCD00614040_BT1000_AF0122 [0,0,1,0,0,0|3,0,0]=4
2  B25R4.4916043  O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)OCC4 WXDL_WXCD00614040_BT1658_AF0122 [0,0,1,0,0,0|3,0,0]=4
3  B25R4.4916043  O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)OCC4 WXDL_WXCD00614040_BT1684_AF0122 [0,0,1,0,0,0|3,0,0]=4
4  B25R4.4916043  O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0122 [0,0,1,0,0,0|2,0,0]=3
5  B25R4.4916043  O=C(Nc1ccn[nH]1)c2nc(cs2)c3ccc4c(c3)OCO4 WXDL_WXCD00904104_BT2126_AF0122 [0,0,1,0,0,0|3,0,0]=4
6  B25R4.4916043  O=C(Nc1ccno1)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0588 [0,0,1,0,0,0|3,0,0]=4
7  B25R4.4916043  O=C(Nc1ccns1)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF00325 [0,0,1,0,0,0|3,0,0]=4
8  B26R4.2142931  Cc1cc([nH]n1)NC(=O)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0238 [0,1,1,0,0,0|2,0,0]=4
9  B26R4.2142931  O=C(Nc1cc(n[nH]1)Br)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF4634 [0,1,1,0,0,0|2,0,0]=4
10  B26R4.2142931  O=C(Nc1cc(n[nH]1)O)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0232 [0,1,1,0,0,0|2,0,0]=4
11  B26R4.2332356  Cc1cn[nH]c1NC(=O)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0173 [0,1,1,0,0,0|2,0,0]=4
12  B26R4.2332356  Cn1nccc1NC(=O)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0198 [0,1,1,0,0,0|2,0,0]=4
13  B26R4.2332356  O=C(Nc1[nH]ncc1Br)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0131 [0,1,1,0,0,0|2,0,0]=4
14  B26R4.2332356  O=C(Nc1[nH]ncc1I)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AF0239 [0,1,1,0,0,0|2,0,0]=4
15  B26R4.12234898  Cc1sc(nc1C(=O)Nc2ccn[nH]2)c3ccc4c(c3)OCO4 WXDL_WXCD02012886_BT2126_AF0122 [0,1,1,0,0,0|2,0,0]=4
16  B24R3.2028645  COc1ccc(cc1O)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT1076_AF0122 [0,0,2,0,0,0|2,0,0]=4
17  B24R3.2028645  COc1ccc(cc1O)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT1272_AF0122 [0,0,2,0,0,0|2,0,0]=4
18  B24R3.2058475  COc1cc(ccc1O)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT1265_AF0122 [0,0,2,0,0,0|2,0,0]=4
19  B26R4.131885  O=C(Nc1ccn[nH]1)c2ccc(cn2)c3ccc4c(c3)OCO4 WXDL_WXCD00900937_BT2126_AF0122 [0,0,1,0,0,1|2,0,0]=4
20  B26R4.131885  O=C(Nc1ccn[nH]1)c2ccc(nn2)c3ccc4c(c3)OCO4 WXDL_WXCD00633109_BT2126_AF0122 [0,0,1,0,0,1|2,0,0]=4
21  B26R4.131885  O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccc4c(c3)CCO4 WXDL_WXCD00633106_BT1000_AF0122 [0,0,1,0,0,1|2,0,0]=4
22  B26R4.131885  O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccc4c(c3)OCC4 WXDL_WXCD00633106_BT1658_AF0122 [0,0,1,0,0,1|2,0,0]=4
23  B26R4.131885  O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccc4c(c3)OCC4 WXDL_WXCD00633106_BT1684_AF0122 [0,0,1,0,0,1|2,0,0]=4
24  B26R4.131885  O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccc4c(c3)OCO4 WXDL_WXCD00633106_BT2126_AF0122 [0,0,1,0,0,1|1,0,0]=3
25  B26R4.131885  O=C(Nc1ccno1)c2cnc(cn2)c3ccc4c(c3)OCO4 WXDL_WXCD00633106_BT2126_AF0588 [0,0,1,0,0,1|2,0,0]=4
26  B26R4.131885  O=C(Nc1ccns1)c2cnc(cn2)c3ccc4c(c3)OCO4 WXDL_WXCD00633106_BT2126_AF00325 [0,0,1,0,0,1|2,0,0]=4
27  B26R4.4063824  O=C(Nc1ccn[nH]1)c2ccnc(c2)c3ccc4c(c3)OCO4 WXDL_WXCD00901189_BT2126_AF0122 [0,0,1,0,0,1|2,0,0]=4
28  B26R4.4063824  O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccc4c(c3)CCO4 WXDL_WXCD01004944_BT1000_AF0122 [0,0,1,0,0,1|2,0,0]=4
29  B26R4.4063824  O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccc4c(c3)OCC4 WXDL_WXCD01004944_BT1658_AF0122 [0,0,1,0,0,1|2,0,0]=4
30  B26R4.4063824  O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccc4c(c3)OCC4 WXDL_WXCD01004944_BT1684_AF0122 [0,0,1,0,0,1|2,0,0]=4
31  B26R4.4063824  O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD01004944_BT2126_AF0122 [0,0,1,0,0,1|1,0,0]=3
32  B26R4.4063824  O=C(Nc1ccno1)c2cncc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD01004944_BT2126_AF0588 [0,0,1,0,0,1|2,0,0]=4
33  B26R4.4063824  O=C(Nc1ccns1)c2cncc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD01004944_BT2126_AF00325 [0,0,1,0,0,1|2,0,0]=4
34  B26R4.4063923  O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)OCCO4 WXDL_WXCD00614040_BT1643_AF0122 [0,0,1,0,0,1|2,0,0]=4
35  B26R4.5695568  O=C(NCc1ccn[nH]1)c2csc(n2)c3ccc4c(c3)OCO4 WXDL_WXCD00614040_BT2126_AK0459 [0,0,1,0,0,1|2,0,0]=4