0  B18R2.172534  Cc1cc(cc(c1)c2cccc(c2)C#N)C=O WXVL_QS1491BT1207 [0,1,0,0,0,0|3,0,0]=4
1  B18R2.172534  N#Cc1cccc(c1)c2cc(cc(c2)C=O)Br WXVL_QS0474BT1207 [0,1,0,0,0,0|3,0,0]=4
2  B18R2.172534  N#Cc1cccc(c1)c2cc(cc(c2)C=O)Cl WXVL_QS1523BT1207 [0,1,0,0,0,0|3,0,0]=4
3  B18R2.172534  N#Cc1cccc(c1)c2cc(cc(c2)C=O)F WXVL_QS0743BT1207 [0,1,0,0,0,0|3,0,0]=4
4  B18R2.172534  N#Cc1cccc(c1)c2cc(cc(c2)C=O)I WXVL_QS2374BT1207 [0,1,0,0,0,0|3,0,0]=4
5  B18R2.172534  N#Cc1cccc(c1)c2cc(cc(c2)C=O)O WXVL_QS1924BT1207 [0,1,0,0,0,0|3,0,0]=4
6  B16R1.19701  CC(C)NC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0030SB2454 [0,0,1,0,0,0|2,0,1]=4
7  B16R1.19701  CC(C)NC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0030SB2454 [0,0,1,0,0,0|2,0,1]=4
8  B16R2.2414  Cc1cc(nn1C)c2cccc(c2)C#N WXVL_LR0439BT1207 [0,0,0,0,1,0|3,0,0]=4
9  B16R2.2414  Cc1nc(cn1C)c2cccc(c2)C#N WXVL_LR0396BT1207 [0,0,0,0,1,0|3,0,0]=4
10  B16R2.2414  Cc1nc(sc1C)c2cccc(c2)C#N WXVL_LR0538BT1207 [0,0,0,0,1,0|3,0,0]=4
11  B16R2.2418  Cc1cc(c(s1)C)c2cccc(c2)C#N WXVL_LR1593BT1207 [0,0,0,0,1,0|3,0,0]=4
12  B16R2.2418  Cc1nc(c(s1)C)c2cccc(c2)C#N WXVL_LR1309BT1207 [0,0,0,0,1,0|3,0,0]=4
13  B15R1.10389  CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00476SB2454 [1,0,1,0,0,0|1,0,1]=4
14  B15R1.10389  CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00476SB2454 [1,0,1,0,0,0|1,0,1]=4
15  B17R2.2678  C#Cc1cccc(c1)c2cc(ccn2)C=O WXVL_QS0633BT0972 [1,1,0,0,0,0|2,0,0]=4
16  B17R2.2678  N#Cc1cc(ccn1)c2cc(ccn2)C=O WXVL_QS0633BT1656 [1,1,0,0,0,0|2,0,0]=4
17  B17R2.2678  N#Cc1cccc(c1)c2cc(ccn2)C=O WXVL_QS0633BT1207 [1,1,0,0,0,0|1,0,0]=3
18  B17R2.2678  N#Cc1cccc(c1)c2cccc(c2)C=O WXVL_QS0055BT1207 [1,1,0,0,0,0|2,0,0]=4
19  B17R2.2678  N#Cc1cccc(c1)c2cccc(n2)C=O WXVL_QS0225BT1207 [1,1,0,0,0,0|2,0,0]=4
20  B17R2.2678  N#Cc1cccc(c1)c2ccnc(c2)C=O WXVL_QS1135BT1207 [1,1,0,0,0,0|1,0,1]=4
21  B17R2.2678  N#Cc1cccc(n1)c2cc(ccn2)C=O WXVL_QS0633BT2414 [1,1,0,0,0,0|2,0,0]=4
22  B17R2.2678  N#Cc1cncc(c1)c2cc(ccn2)C=O WXVL_QS0633BT0729 [1,1,0,0,0,0|2,0,0]=4
23  B17R2.2678  N#Cc1cncc(c1)c2cc(ccn2)C=O WXVL_QS0633BT1781 [1,1,0,0,0,0|2,0,0]=4
24  B17R2.2668  N#Cc1cccc(c1)c2nc(c(s2)C=O)Br WXVL_QS0987BT1207 [0,1,0,0,1,0|2,0,0]=4
25  B17R2.2675  Cc1sc(cc1c2cccc(c2)C#N)C=O WXVL_QS1755BT1207 [0,1,0,0,1,0|2,0,0]=4
26  B17R2.2675  N#Cc1cccc(c1)c2cc(sc2Br)C=O WXVL_QS1756BT1207 [0,1,0,0,1,0|2,0,0]=4
27  B15R2.18  Cc1ccc(s1)c2cccc(c2)C#N WXVL_LR0501BT1207 [1,0,0,0,1,0|2,0,0]=4
28  B15R2.18  Cc1cnc([nH]1)c2cccc(c2)C#N WXVL_LR1156BT1207 [1,0,0,0,1,0|2,0,0]=4
29  B15R2.18  N#Cc1cccc(c1)c2ccc(s2)Cl WXVL_LR0493BT1207 [1,0,0,0,1,0|2,0,0]=4
30  B15R2.18  N#Cc1cccc(c1)c2csc(c2)Cl WXVL_LR0844BT1207 [1,0,0,0,1,0|2,0,0]=4
31  B15R2.18  N#Cc1cccc(c1)c2nc(cs2)Cl WXVL_LR1009BT1207 [1,0,0,0,1,0|2,0,0]=4
32  B15R2.18  N#Cc1cccc(c1)c2ncc(s2)F WXVL_LR1252BT1207 [1,0,0,0,1,0|2,0,0]=4
33  B15R2.2268  N#Cc1cccc(c1)c2ccsc2Cl WXVL_LR0500BT1207 [1,0,0,0,1,0|2,0,0]=4
34  B17R1.28454  C=C(C)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0761SB2454 [0,0,1,0,0,1|2,0,0]=4
35  B17R1.28454  C=C(C)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0761SB2454 [0,0,1,0,0,1|2,0,0]=4
36  B17R1.28454  N#Cc1cccc(c1)/C=C/C(=O)NCC(=O)N WXVL_AK0147SB2454 [0,0,1,0,0,1|1,0,0]=3
37  B17R1.28454  N#Cc1cccc(c1)/C=C/C(=O)NCC(=O)N WXVL_AK0147SB2454 [0,0,1,0,0,1|1,0,0]=3