0  B11R1.17  CC1=C(OCCN)C=CC=C1 B050096 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.17  NC1=CC=CC=C1OCCO B030703 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.17  NCCCC1=CC=CC=C1Cl B049213 [0,0,0,0,0,0|2,1,0]=3
3  B10R1.4  CCOC1=C(N)N=CC=C1 B050894 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.17  BrCCCC1=CN=CC=C1 B050854 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.17  NCCCC1=CC=CC=N1 B048973 [1,0,0,0,0,0|3,0,0]=4
6  B12R1.121  FCCOC1=C(CBr)C=CC=C1 B059294 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.125  CC1=C(CNC(C)C)C=CC=C1 B059710 [0,1,0,0,0,0|3,0,0]=4
8  B12R1.267  CCCCOC1=C(N)C=CC=C1 B048532 [0,1,0,0,0,0|2,0,0]=3
9  B12R2.32  NCC1CC2=CC=CC=C2O1 B049791 [0,0,0,1,0,0|3,0,0]=4
10  B12R2.196  CN1N=NC2=C1C=CC=C2N B047296 [0,0,0,1,0,0|3,0,0]=4
11  B12R2.1081  CC1=CC=CC2=C1NCCC2 B016010 [0,0,0,1,0,0|3,0,0]=4
12  B12R2.1081  NC1=CC=CC2=C1CCCC2 B049826 [0,0,0,1,0,0|2,0,0]=3
13  B12R2.1081  OC1=CC=CC2=C1NCCC2 B050304 [0,0,0,1,0,0|3,0,0]=4
14  B9R1.8  BrCCC1=NC=CC=C1 B050856 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.8  CNCC1=CC=CC=N1 B059678 [2,0,0,0,0,0|1,0,0]=3
16  B9R1.8  CNCC1=NC=CN=C1 B050431 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.8  ClCCC1=NC=CC=C1 B050813 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.8  NOCC1=CC=CC=C1 B022277 [2,0,0,0,0,0|1,0,0]=3
19  B11R1.81  CCOC1=CC=C(F)C=C1N B047094 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.81  CCSC1=C(N)C=C(Cl)C=C1 B049688 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.1  NCCCC1=CC=C(Cl)C=C1 B049887 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.40  CNC(C)CC1=CN=CC=N1 B037035 [1,1,0,0,0,0|2,0,0]=4
23  B13R1.84  CCCCOC1=CC=CC=C1C=O B005803 [0,2,0,0,0,0|2,0,0]=4
24  B11R2.55  NC1=CC=CC=C1C2CC2 B039285 [1,0,0,1,0,0|1,0,0]=3
25  B13R2.3587  OC1=C(CNC2CC2)C=CC=C1 B036668 [0,1,0,1,0,0|2,0,0]=4
26  B13R2.18  CC1=C(C2CCCN2)C=CC=C1 B036278 [0,1,0,1,0,0|2,0,0]=4
27  B13R2.18  NC1=CC=CC=C1N2CCCC2 B037489 [0,1,0,1,0,0|2,0,0]=4
28  B13R2.18  NC1=CC=CC=C1N2CCCC2 B047359 [0,1,0,1,0,0|2,0,0]=4
29  B13R2.26  CNCC1=CC2=C(C=CC=C2)S1 B030501 [0,1,0,1,0,0|1,0,1]=4
30  B13R2.26  CNCC1=NC2=CC=CC=C2S1 B059731 [0,1,0,1,0,0|1,0,1]=4
31  B13R2.4825  CC1CC2=C(Br)C=CC=C2C1=O B059778 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.33  CCCN1N=CC=C1Br B052586 [1,0,0,0,1,0|2,0,0]=4
33  B9R1.12  CNCCC1=CNN=C1 B037042 [1,0,0,0,1,0|2,0,0]=4