0  B5R0.1  C#CCC(=O)O B050921 [1,0,0,0,0,0|0,0,3]=4
1  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,1,0,0,0,0|1,0,1]=3
2  B7R1.2  CC1=CC(I)=NN1 B051816 [0,0,0,1,0,0|3,0,0]=4
3  B7R1.2  CC1=NOC(N)=C1 B030049 [0,0,0,1,0,0|2,0,0]=3
4  B7R1.2  NC1=CC(O)=NN1 B038492 [0,0,0,1,0,0|3,0,0]=4
5  B6R0.7  CC(=O)C(C)(C)N B049721 [0,1,0,0,1,0|1,0,1]=4
6  B8R0.9  CCN(C)CCC(=O)O B039614 [0,1,0,0,0,1|1,0,1]=4
7  B8R0.23  CC(CN(C)C)C(=O)O B039611 [0,1,0,0,0,1|1,0,1]=4
8  B6R1.2  CC1=NNC=C1 B022230 [1,0,0,1,0,0|2,0,0]=4
9  B8R1.3  CC1=CN=C(O)N=C1 B038992 [0,0,0,1,0,1|1,0,1]=4
10  B8R1.1  CC1=CC(CCl)=NO1 B037983 [0,1,0,1,0,0|2,0,0]=4
11  B8R1.1  CC1=CC(CO)=NO1 B037451 [0,1,0,1,0,0|2,0,0]=4
12  B8R1.1  CC1=NNC(C=O)=C1 B014001 [0,1,0,1,0,0|2,0,0]=4
13  B8R1.1  CC1=NOC(C#N)=C1 B046396 [0,1,0,1,0,0|2,0,0]=4
14  B8R1.1  CC1=NOC(CN)=C1 B038372 [0,1,0,1,0,0|2,0,0]=4
15  B8R1.1  CC1=NOC(CN)=C1 B039279 [0,1,0,1,0,0|2,0,0]=4
16  B8R1.1  CC1=NOC(CO)=C1 B037452 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.18  CC1=CC(Br)=NN1C B050946 [0,1,0,1,0,0|2,0,0]=4
18  B8R1.18  CC1=CC(Cl)=NN1C B058980 [0,1,0,1,0,0|2,0,0]=4
19  B8R1.18  CC1=CC(I)=NN1C B050965 [0,1,0,1,0,0|2,0,0]=4
20  B8R1.18  CC1=CC(N)=NN1C B020972 [0,1,0,1,0,0|2,0,0]=4
21  B8R1.18  CC1=CC(N)=NN1C B039190 [0,1,0,1,0,0|2,0,0]=4
22  B8R1.18  CC1=CC(N)=NN1C B047156 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.50  CC1=NOC(C)=C1N B029429 [0,1,0,1,0,0|2,0,0]=4