0  B6R0.2  CC(=O)CC(C)N 4022442 [0,1,0,0,0,0|1,0,2]=4
1  B6R0.2  CC(=O)CC(C)N 4089784 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.2  CC(C)CC(=N)N 4089840 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.3  CN(C)C(=O)CN 4088697 [0,1,0,0,0,0|2,0,1]=4
4  B6R1.2  BrC1=CC=NS1 4047938 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.2  IC1=CC=NS1 4075854 [0,0,0,1,0,0|3,0,0]=4
6  B6R1.2  NC1=NNC=C1 3002058 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.2  NC1C=CCC1 4068828 [0,0,0,1,0,0|2,0,1]=4
8  B5R0.3  C=CC(O)CN 4055871 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.5  O=C(O)C(=O)O 4034715 [1,1,0,0,0,0|2,0,0]=4
10  B7R0.2  CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|0,0,2]=4
11  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,2,0,0,0,0|1,0,1]=4
13  B7R1.1  NCC1=CC=NN1 4088066 [0,1,0,1,0,0|2,0,0]=4
14  B7R1.1  NCC1=NOC=C1 2102253 [0,1,0,1,0,0|1,0,1]=4
15  B7R1.1  NCC1=NOC=C1 4088492 [0,1,0,1,0,0|1,0,1]=4
16  B7R1.2  CC1=COC(C)=C1 4091270 [0,1,0,1,0,0|0,0,2]=4
17  B7R1.2  CC1=NN(C)C=C1 3020421 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.4  CC1=C(N)C=NN1 4088796 [0,1,0,1,0,0|2,0,0]=4