0  B17R1.31399  CN/C(=N/C#N)/NCCSCC1=C(NC=N1)C MCULE-2885245608 [0,0,0,0,0,0|0,0,2]=2
1  B17R1.31399  CN/C(=N\CCSCC1=C(NC=N1)C)/NC#N MCULE-7857189389 [0,0,0,0,0,0|0,0,2]=2
2  B16R1.14009  CC#CC(=O)NCCSCC1=C(NC=N1)C MCULE-3625035690 [1,0,0,0,0,0|3,0,0]=4
3  B18R1.108  C/N=C(/NC#N)\NCCSCC1=C(N=CN1)CO MCULE-4633028702 [0,1,0,0,0,0|0,0,2]=3
4  B18R1.12112  CN/C(=N\CCS(=O)CC1=C(NC=N1)C)/NC#N MCULE-2054667747 [0,1,0,0,0,0|0,0,3]=4
5  B15R1.3174  CNC(=N)NCCSCC1=C(NC=N1)C MCULE-1053982501 [2,0,0,0,0,0|0,0,1]=3
6  B15R1.3174  CNC(=N)NCCSCC1=C(NC=N1)C MCULE-7934208505 [2,0,0,0,0,0|0,0,1]=3