0  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.4  O=CNCC(=O)O AH-034/32838045 [1,0,0,0,0,0|1,0,1]=3
2  B8R1.3  CC1=CC=C(O)C=N1 AC-907/25014124 [0,0,0,1,0,0|3,0,0]=4
3  B8R1.3  CC1=NNC(=O)C=C1 AC-907/25005370 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.3  NC1=CC=C(O)C=C1 AJ-333/25022099 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.3  NC1=CC=C(O)N=C1 AF-399/40963069 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.3  O=C1C=CC(Br)=CN1 AC-907/25004372 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.3  O=C1C=CC(Cl)=CN1 AC-907/25014042 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.3  O=C1COC(=O)CN1 AO-125/25086006 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.3  OC1=CC=C(Cl)N=C1 AM-977/25004381 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.3  OC1=CC=C(O)N=N1 AC-907/30002020 [0,0,0,1,0,0|2,0,0]=3
11  B8R1.3  OC1=NN=C(Cl)C=C1 AC-907/25004274 [0,0,0,1,0,0|3,0,0]=4
12  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,0,0,0,1,0|2,0,0]=3
13  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.2  CO\C(C)=C/C(=O)O AJ-087/25124015 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.4  C\C=C\C=C\C(=O)O AN-651/40229308 [1,1,0,0,0,0|1,0,0]=3
16  B7R0.16  C\C(Br)=C(/C)C(=O)O AI-942/25121055 [0,1,0,0,1,0|2,0,0]=4
17  B9R0.53  O=C(O)\C=C(\Cl)CC(=O)O AK-564/25068019 [0,1,0,0,0,1|0,0,0]=2
18  B9R0.79  C\C(C(=O)O)=C(\C)C(=O)O AB-131/42301000 [0,2,0,0,0,0|0,0,0]=2
19  B7R1.2  O=C1NC(O)=CS1 AC-907/30002002 [1,0,0,1,0,0|2,0,0]=4
20  B7R1.3  OC1=CC=CC=N1 AC-907/25014059 [1,0,0,1,0,0|2,0,0]=4
21  B7R1.3  OC1=CC=CN=N1 AC-907/30002019 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.3  OC1=CN=CC=C1 AC-907/25014060 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.35  CC1=CC=C(C(=O)O)S1 AI-942/25034216 [0,0,0,1,0,1|1,1,0]=4
24  B9R1.35  CC1=CSC(C(=O)O)=C1 AI-942/25034215 [0,0,0,1,0,1|2,0,0]=4
25  B9R1.35  O=C(O)C1=CC(Br)=CS1 AF-960/00468042 [0,0,0,1,0,1|2,0,0]=4
26  B9R1.35  O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [0,0,0,1,0,1|1,0,0]=3
27  B9R1.35  O=C(O)C1=CSC(Br)=C1 AR-362/33754020 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.35  O=C(O)C1=CSC(Cl)=C1 AI-942/25121028 [0,0,0,1,0,1|2,0,0]=4
29  B9R1.35  O=C1NC=C(C(=O)O)N1 AO-080/40387978 [0,0,0,1,0,1|1,0,0]=3
30  B9R1.1  O=CC1=CC=C(O)C=C1 AB-131/40191192 [0,1,0,1,0,0|2,0,0]=4
31  B9R1.69  CC1=CC(O)=NN=C1O AC-907/30003041 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.69  CN1NC(=O)C=CC1=O AC-907/25004444 [0,1,0,1,0,0|2,0,0]=4