0  B6R0.1  CCNC(=O)CN AS-787/43399854 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  CNCC(=O)OC AO-181/25113008 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.1  N#CCC(=O)NN AC-907/25014397 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  CCSC(=N)N AE-641/00560030 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.3  CCSCC(=O)NN AE-641/40262190 [0,1,0,0,0,0|2,0,0]=3
5  B7R0.5  CNCC(=O)N(C)C AS-787/43399850 [0,1,0,0,0,0|2,0,0]=3
6  B7R0.7  CCNC(=O)CNC AS-787/43399855 [0,1,0,0,0,0|2,0,0]=3
7  B7R1.1  ON=C1CCCC1 AH-034/32464031 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.1  O\N=C1/CCCN1 AG-664/25003377 [0,0,0,1,0,0|3,0,0]=4
9  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,0,0,1,0,0|3,0,0]=4
10  B4R0.1  NCC(=O)O AB-131/40217813 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [1,1,0,0,0,0|0,0,2]=4
12  B6R0.4  O=CNCC(=O)O AH-034/32838045 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.6  COCCNC(=O)CN AS-787/43399852 [0,2,0,0,0,0|2,0,0]=4
14  B8R1.51  CC1(C)COC(=S)N1 AA-516/25012015 [0,1,0,1,0,0|1,1,0]=4
15  B8R1.3  O=C1CCS(=O)CC1 AN-308/25123005 [0,1,0,1,0,0|2,0,0]=4
16  B8R1.3  O=C1COC(=O)CN1 AO-125/25086006 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.50  CC1C(=O)CCC1=O AC-907/25014141 [0,1,0,1,0,0|1,0,1]=4