0  B11R1.91  O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.91  O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.91  O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,0|4,0,0]=4
3  B12R1.21  CC1=CC=C(CNC(C)C)C=C1 B059712 [0,1,0,0,0,0|2,0,1]=4
4  B12R1.21  CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,1,0,0,0,0|3,0,0]=4
5  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,0,0|2,0,0]=3
6  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,0,0|2,0,0]=3
7  B12R1.27  NNC(=O)CNC1=CC=CC=C1 B003339 [0,1,0,0,0,0|3,0,0]=4
8  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,0|1,0,0]=2
9  B12R1.107  O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,1,0,0,0,0|3,0,0]=4
10  B12R1.125  CC1=C(CNC(C)C)C=CC=C1 B059710 [0,1,0,0,0,0|2,0,1]=4
11  B12R1.125  CC1=CC=CC=C1NCC(=O)O B003329 [0,1,0,0,0,0|3,0,0]=4
12  B12R1.226  CC(C)NCC1=CC(F)=CC=C1 B059714 [0,1,0,0,0,0|2,0,1]=4
13  B12R1.226  CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,1,0,0,0,0|3,0,0]=4
14  B12R1.226  CC1=CC=CC(CNC(C)C)=C1 B059711 [0,1,0,0,0,0|2,0,1]=4
15  B12R1.226  O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,0,0|2,0,0]=3
16  B12R1.891  NS(=O)(=O)NCC1=CC=CC=C1 B037539 [0,1,0,0,0,0|3,0,0]=4
17  B10R1.18  CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,1,0|2,0,1]=4
18  B10R1.18  NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,1,0|1,1,0]=3
19  B12R1.252  O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,1|3,0,0]=4
20  B12R1.252  O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,1|3,0,0]=4
21  B9R1.8  CNCC1=CC=CC=N1 B059678 [2,0,0,0,0,0|2,0,0]=4
22  B9R1.8  NOCC1=CC=CC=C1 B022277 [2,0,0,0,0,0|1,0,0]=3
23  B11R1.16  CC(N=C=O)C1=CC=CC=C1 B028614 [1,1,0,0,0,0|1,0,1]=4
24  B11R1.86  NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,1,0|2,0,0]=4
25  B11R1.157  CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,1,0|1,0,0]=3
26  B13R1.14  COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,2,0,0,0,0|1,0,0]=3
27  B13R1.42  N#CCC(=O)NCC1=CC=CC=C1 B028851 [0,2,0,0,0,0|1,0,0]=3
28  B13R1.713  NCC(CC(=O)O)C1=CC=CC=C1 B048525 [0,2,0,0,0,0|2,0,0]=4
29  B11R2.10  NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,1,0|2,0,0]=4
30  B13R2.423  O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,1|2,0,0]=4
31  B13R2.435  CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,1,0,1,0,0|2,0,0]=4
32  B13R2.435  O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,1,0,1,0,0|2,0,0]=4
33  B13R2.3683  NC1=CC2=C(C=C1)NC(=O)CC2 B049385 [0,1,0,1,0,0|2,0,0]=4
34  B9R1.13  CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,2,0|2,0,0]=4
35  B9R1.13  CC(=O)CN1C=CN=C1 B039452 [0,0,0,0,2,0|2,0,0]=4