0  B6R1.7  C1CC1(CN)O A07277 [0,0,0,1,0,0|2,1,0]=4
1  B6R1.7  C1CC1(CO)N A07278 [0,0,0,1,0,0|2,0,0]=3
2  B7R1.3  C1CSCCC1N T21001 [0,1,0,1,0,0|2,0,0]=4