0  B8R1.8  OCCC1=NC=CN1 AR-527/43293965 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.8  O\N=C\C1=CC=CN1 AN-308/25123037 [0,0,0,0,0,0|3,0,1]=4
2  B7R1.1  CNC1=NC=CS1 AN-584/41682965 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.1  NNC1=NC=CS1 AH-034/32832026 [1,0,0,0,0,0|2,0,0]=3
4  B7R1.1  OCC1=CN=CN1 AB-131/25126047 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.1  OCC1=COC=C1 AE-641/00180028 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.1  OCC1=NC=CN1 AR-527/43293956 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.7  CC1=CC=C(\C=N\O)S1 AI-942/25034261 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.11  CNC(=O)C1=CC=CS1 AK-830/25033017 [0,1,0,0,0,0|2,0,1]=4
9  B9R1.11  NNC(=O)C1=CC=CO1 AN-068/40170015 [0,1,0,0,0,0|1,1,1]=4
10  B9R1.12  NCCCN1C=CC=N1 AN-919/40777063 [0,1,0,0,0,0|2,0,0]=3
11  B9R1.13  C\[N+]([O-])=C\C1=CC=CS1 AQ-387/42302717 [0,1,0,0,0,0|2,0,1]=4
12  B9R1.13  NC(=O)CC1=CSC=N1 AF-399/25051005 [0,1,0,0,0,0|2,0,1]=4
13  B9R2.3  C1=CC2=C(C=CS2)S1 AI-942/25034154 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.8  CCOC1=CC=CC=N1 AC-907/25014179 [0,0,0,0,0,1|3,0,0]=4
15  B9R1.8  ClCSC1=NC=CC=N1 AF-399/25108085 [0,0,0,0,0,1|3,0,0]=4
16  B6R1.2  CC1=CN=CN1 AL-398/25017073 [2,0,0,0,0,0|2,0,0]=4
17  B6R1.2  NC1=NC=CN1 AL-398/25017027 [2,0,0,0,0,0|2,0,0]=4
18  B6R1.2  NC1=NC=CO1 AN-584/43408342 [2,0,0,0,0,0|1,1,0]=4
19  B6R1.2  NC1=NC=CS1 AB-601/30915002 [2,0,0,0,0,0|1,0,0]=3
20  B6R1.2  NC1=NC=NS1 AE-842/30373034 [2,0,0,0,0,0|2,0,0]=4
21  B8R1.1  CNC1=NC(C)=CS1 AB-601/30915021 [1,1,0,0,0,0|2,0,0]=4
22  B8R1.7  CC(=O)C1=CC=CN1 AI-942/25034253 [1,1,0,0,0,0|1,0,1]=4
23  B8R1.11  O=CC1=C(I)C=CS1 AI-942/25121040 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.1  CC1=CC=C(CCN)C=C1 AE-562/42006047 [0,1,0,0,0,1|1,0,0]=3
25  B10R1.17  OCCNC1=CC=CC=N1 AE-641/00646003 [0,1,0,0,0,1|2,0,0]=4
26  B10R1.18  CC(C)CC1=CC=NC=C1 AO-801/41077396 [0,1,0,0,0,1|2,0,0]=4
27  B10R1.9  N#CC(C=O)C1=CC=CS1 AI-942/25034340 [0,2,0,0,0,0|0,0,2]=4
28  B10R1.23  O=C(C1=CC=CS1)C(Br)Br AI-942/25034131 [0,2,0,0,0,0|1,0,1]=4
29  B10R2.7  C1=CC2=C(C=C1)NCC2 AG-690/11351758 [0,0,0,1,0,1|1,0,0]=3
30  B10R2.2  NN1C=C2SC=CC2=N1 AI-942/25034067 [0,1,0,1,0,0|1,0,1]=4