0  B11R1.40  CCC(N)CC1=CC=CC=C1 HY-116443 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.17  CNCCC1=CC=CC=C1 HY-34713 [1,0,0,0,0,0|1,0,1]=3
2  B10R1.18  C[C@@H](O)CC1=CC=CC=C1 HY-W017610 [1,0,0,0,0,0|0,0,2]=3
3  B12R1.49  CCC(N)CC1=CC=C(Cl)C=C1 HY-114859 [0,1,0,0,0,0|2,0,1]=4
4  B12R1.49  CNC(C)CC1=CC=C(Cl)C=C1 HY-129850 [0,1,0,0,0,0|2,0,1]=4
5  B12R1.118  CCC(CC1=CC=CC=C1)NC HY-W727031 [0,1,0,0,0,0|2,0,1]=4
6  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 HY-W653809 [0,1,0,0,0,0|2,0,1]=4
7  B12R2.18  CC1=C2C=COC=C2OC1=O HY-136302 [0,0,0,1,0,0|3,0,0]=4
8  B11R1.16  CNCC(C)C1=CC=CC=C1 HY-W354635 [1,1,0,0,0,0|1,0,1]=4
9  B11R1.91  CC(=N)NCC1=CC=CC=C1 HY-W408607 [1,1,0,0,0,0|2,0,0]=4
10  B11R1.91  CC(C)NCC1=CC=CC=C1 HY-W420002 [1,1,0,0,0,0|2,0,0]=4
11  B11R1.20  CC(=O)N[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-66005S3 [1,1,0,0,0,0|1,0,0]=3
12  B11R1.20  CC(N)CC1=CC=C(Br)C=C1 HY-W342779 [1,1,0,0,0,0|1,0,1]=4
13  B11R1.20  CC(N)CC1=CC=C(I)C=C1 HY-131556 [1,1,0,0,0,0|1,0,1]=4
14  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HY-B1098B [1,1,0,0,0,0|1,0,1]=4
15  B11R1.86  CC(N)CC1=C(Br)C=CC=C1 HY-W721259 [1,1,0,0,0,0|1,0,1]=4
16  B11R1.157  CC(N)CC1=CC(Cl)=CC=C1 HY-W158945 [1,1,0,0,0,0|1,0,1]=4
17  B11R1.157  CC(N)CC1=CC=CC(Br)=C1 HY-135022 [1,1,0,0,0,0|1,0,1]=4
18  B11R1.157  C[C@H](N)CC1=CC(O)=CC=C1 HY-107354 [1,1,0,0,0,0|1,0,1]=4
19  B11R1.509  O=S(=O)(O)OC1=CC=CC=C1 HY-128442R [1,1,0,0,0,0|2,0,0]=4
20  B9R1.6  N[13C](=O)C1=[13CH][15N]=[13CH]C=C1 HY-B0150S1 [1,0,0,0,1,0|2,0,0]=4
21  B9R1.6  N[13C](=O)[13C]1=[13CH][13CH]=[13CH]N=[13CH]1 HY-B0150S2 [1,0,0,0,1,0|2,0,0]=4
22  B9R1.6  O=[13C](O)C1=[13CH][15N]=[13CH]C=C1 HY-B0143S4 [1,0,0,0,1,0|1,0,0]=3