0  B9R0.45  C(CCNCCCN)CN 0959 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.1  C(CN)CNCCS 3356 [2,0,0,0,0,0|1,0,0]=3
2  B7R0.1  C(CSSCCN)N 4981 [2,0,0,0,0,0|2,0,0]=4