0  B13R1.713  CN(C)\C=C(\C#N)C1=CC=CC=C1 90706 [0,0,0,0,0,0|2,0,1]=3
1  B12R1.3  CO\C=C(\C#N)C1=CC=CC=C1 58279 [1,0,0,0,0,0|2,0,1]=4
2  B12R1.107  CC(C)CC(=O)C1=CN=CC=C1 F30170 [1,0,0,0,0,0|1,0,1]=3
3  B12R1.107  CC(C)CC(=O)C1=NC=CC=C1 F30232 [1,0,0,0,0,0|1,0,1]=3
4  B12R1.107  CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [1,0,0,0,0,0|1,0,2]=4
5  B14R1.1027  CC(C)C(=O)[C@H](C#N)C1=CC=CC=C1 88705 [0,1,0,0,0,0|1,0,2]=4
6  B14R2.2  C[C@H](O)CC1=CNC2=C1C=CC=C2 P14764 [0,0,0,1,0,0|2,0,1]=4
7  B14R2.2  C[C@H](O)CC1=CNC2=C1C=CC=C2 P14765 [0,0,0,1,0,0|2,0,1]=4
8  B14R2.403  CC1(C)CN=C(C2=CC=CC=C2)O1 V10355 [0,0,0,1,0,0|3,0,0]=4
9  B11R1.16  [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [2,0,0,0,0,0|2,0,0]=4
10  B13R1.405  CCO[C@@H](C(=O)O)C1=CC=CC=C1 AC5916 [1,1,0,0,0,0|1,0,1]=4
11  B13R1.201  CC(C)OC(=O)C1=C(N)C=CC=C1 24666 [1,1,0,0,0,0|1,0,0]=3
12  B13R1.1111  CC(C)[C@@H](C(=O)O)C1=CC=NC=C1 AT18200 [0,1,0,0,1,0|1,0,1]=4
13  B13R1.1111  CN(C)[C@@H](C(=O)O)C1=CC=CC=C1 93268 [0,1,0,0,1,0|1,0,1]=4
14  B15R1.349  CC1=C([C@@H](CC(C)C)C(=O)O)C=CC=C1 C78026 [0,2,0,0,0,0|0,0,2]=4
15  B13R2.15  O=C1CCC[C@@H]1C2=CC=CC=C2 E72778 [1,0,0,1,0,0|0,0,2]=4
16  B13R2.2539  O=CC1(C2=CC=CC=C2)CCC1 A11315 [1,0,0,1,0,0|0,0,2]=4
17  B13R2.328  CN1CC(=O)C2=C(C=CC=C2)C1 F12572 [1,0,0,1,0,0|1,0,1]=4
18  B13R2.328  CN1CC(=O)C2=C(C=CC=C2)C1 F12579 [1,0,0,1,0,0|1,0,1]=4
19  B13R2.12159  CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [1,0,0,1,0,0|1,0,0]=3
20  B13R2.135  O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [0,0,0,1,1,0|1,0,1]=4
21  B15R2.59  CC(C)C1=NC(C2=CC=CC=C2)=CN1 AC9819 [0,0,0,1,0,1|1,0,0]=3
22  B15R2.59  C[C@H](N)C1=NC(C2=CC=CC=C2)=CN1 12488 [0,0,0,1,0,1|2,0,0]=4
23  B15R2.11  CC(C)(N)CC1=CNC2=C1C=CC=C2 66349 [0,1,0,1,0,0|1,0,1]=4
24  B15R2.89951  CC1(C)C[C@@H](C=O)C2=C(C=CC=C2)O1 F31106 [0,1,0,1,0,0|0,0,2]=4
25  B15R2.9435  CC1CC(C(=O)O)(C2=CC=CC=C2)C1 92972 [0,1,0,1,0,0|0,0,2]=4
26  B11R1.36  C=C(C1=CC=CC=C1)C(C)C W11468 [1,0,0,0,1,0|0,0,0]=2
27  B11R1.36  CC(C)C(=O)C1=CC=NC=C1 N12821 [1,0,0,0,1,0|1,0,0]=3
28  B11R1.36  C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [1,0,0,0,1,0|1,0,0]=3
29  B13R1.45  CC(C)NCC(=O)C1=CC=CC=C1 76887 [1,0,0,0,0,1|0,0,1]=3
30  B13R1.45  C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [1,0,0,0,0,1|1,0,1]=4