0  B13R1.718  CCC(C)NCCC1=CC=CC=C1 AK-823/41252327 [0,0,0,0,0,0|3,0,1]=4
1  B13R1.718  COC(=O)CCNC1=NC=CC=C1 AF-399/25108061 [0,0,0,0,0,0|2,0,0]=2
2  B12R1.252  NC(=O)NOCC1=CC=CC=C1 AF-399/25108016 [1,0,0,0,0,0|3,0,0]=4
3  B12R1.252  O=C(O)CCOC1=CC=CC=C1 AJ-087/40299913 [1,0,0,0,0,0|1,0,0]=2
4  B14R1.163  COC(=O)CNC(=S)C1=CC=CC=C1 AL-398/40365441 [0,1,0,0,0,0|1,0,1]=3
5  B14R1.743  CN(CC(=O)NN)CC1=CC=CC=C1 AO-365/43467520 [0,1,0,0,0,0|3,0,0]=4
6  B14R2.68  O=C1CCC(C2=CC=CC=C2)=NN1 AC-907/25005034 [0,0,0,1,0,0|2,0,1]=4
7  B12R1.27  COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,0,0,0,1,0|1,0,0]=2
8  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 AC-907/25014276 [1,1,0,0,0,0|0,0,1]=3
9  B13R1.45  O=C(O)CNC(=S)C1=CC=CC=C1 CS-003/03982059 [1,1,0,0,0,0|1,0,1]=4
10  B13R1.149  O=C(O)CCOC1=CC=CC(Cl)=C1 AN-584/13156516 [1,1,0,0,0,0|1,0,0]=3
11  B13R1.158  O=C(O)CCOC1=CC=CC=C1Cl AJ-087/13156515 [1,1,0,0,0,0|1,0,0]=3
12  B13R1.348  CC(=O)C\C(C)=N/C1=CC=CC=C1 AE-641/02440019 [1,1,0,0,0,0|1,0,1]=4
13  B13R1.348  CN(CC(=O)O)CC1=CC=CC=C1 AO-365/43467503 [1,1,0,0,0,0|1,0,0]=3
14  B13R1.513  O=C(O)CCOC1=CC=C(Br)C=C1 AN-829/13156514 [1,1,0,0,0,0|1,0,0]=3
15  B13R1.14  COC(=O)C#CC1=CC=C(Cl)C=C1 AE-562/12222058 [0,1,0,0,1,0|0,0,2]=4
16  B13R1.14  COC(=O)\C=C\C1=CC=C(Br)C=C1 AB-131/40027014 [0,1,0,0,1,0|0,0,2]=4
17  B13R1.14  COC(=O)\C=C\C1=CC=C(C)C=C1 AG-205/06379040 [0,1,0,0,1,0|0,0,2]=4
18  B13R1.14  COC(=O)\C=C\C1=CC=C(O)C=C1 AG-690/03019022 [0,1,0,0,1,0|0,0,2]=4
19  B13R1.135  COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [0,1,0,0,1,0|0,0,0]=2
20  B13R1.528  COC(=O)C#CC1=C(Cl)C=CC=C1 AE-562/12222054 [0,1,0,0,1,0|0,0,2]=4
21  B15R1.826  CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 AO-310/25058001 [0,2,0,0,0,0|0,0,0]=2
22  B13R2.10  CC1=NN(C2=CC=CC=C2)CC1 AQ-344/40210408 [1,0,0,1,0,0|2,0,0]=4
23  B13R2.31  O=C1CC([Se]C2=CC=CC=C2)N1 AK-564/25068015 [1,0,0,1,0,0|2,0,0]=4
24  B13R2.163  O=C1CCCC2=C(C=CC=C2)N1 AR-438/40240582 [1,0,0,1,0,0|1,0,0]=3
25  B15R2.98  NC1=CC=C(CC2COC(=O)N2)C=C1 AR-011/42531516 [0,1,0,1,0,0|1,0,0]=3
26  B15R2.1342  CCOC(=O)C1CC1C2=CC=CC=C2 AE-848/00900039 [0,1,0,1,0,0|0,0,0]=2
27  B11R1.91  N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [1,0,0,0,1,0|2,0,0]=4
28  B11R1.91  O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [1,0,0,0,1,0|0,0,2]=4
29  B11R1.91  O=C(O)COC1=CC=CC=C1 AC-907/25014208 [1,0,0,0,1,0|1,0,0]=3
30  B11R1.91  O=C(O)COC1=CC=CC=N1 AC-907/34118029 [1,0,0,0,1,0|2,0,0]=4
31  B11R1.91  O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [1,0,0,0,1,0|1,0,0]=3
32  B11R1.91  O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [1,0,0,0,1,0|2,0,0]=4
33  B11R1.40  COC(=O)NC1=CC=NC=C1 AN-584/40385585 [0,0,0,0,2,0|2,0,0]=4
34  B11R1.40  NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,0,0,0,2,0|2,0,0]=4
35  B11R1.40  O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,0,0,0,2,0|2,0,0]=4