0  B9R1.11  CCC(O)C1=CC=CO1 105062 [0,0,0,0,0,0|1,0,2]=3
1  B9R1.11  N\C(=N/O)C1=CC=CN1 097985 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.11  O=C(CCl)C1=CC=CS1 015347 [0,0,0,0,0,0|2,1,0]=3
3  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [1,0,0,0,0,0|1,1,1]=4
4  B8R1.7  O=C(O)C1C=CCO1 040022 [1,0,0,0,0,0|0,0,2]=3
5  B10R1.11  CCOC(=O)C1=CNN=N1 228237 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.14  COC(=O)C1=CC=C(Cl)S1 323671 [0,1,0,0,0,0|0,1,0]=2
7  B10R1.14  COC(=O)C1=NNC(Br)=C1 238098 [0,1,0,0,0,0|2,0,0]=3
8  B10R1.14  O=C(CBr)C1=CC=C(Br)S1 018072 [0,1,0,0,0,0|2,1,0]=4
9  B10R1.149  COC(=O)C1=C(Cl)NN=N1 027322 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.27  COC(=O)CC1=NC=CN1 046350 [0,0,0,0,0,1|2,0,0]=3
11  B10R1.27  NNC(=O)CC1=CC=CN1 014604 [0,0,0,0,0,1|3,0,0]=4
12  B11R1.222  COC(=O)C1=NC=CC=C1N 066881 [0,1,0,0,0,1|1,0,0]=3
13  B11R1.199  CCOC(=O)C1=C(C)C=CS1 338604 [0,2,0,0,0,0|0,1,0]=3
14  B11R1.199  CCOC(=O)C1=C(C)OC=C1 386973 [0,2,0,0,0,0|2,0,0]=4
15  B11R1.199  CCOC(=O)C1=C(N)C=NN1 037260 [0,2,0,0,0,0|2,0,0]=4
16  B9R1.3  CN1C=CC=C(O)C1=S 180130 [0,0,1,1,0,0|1,1,0]=4