0  B11R1.17  C=CCOC1=CC=CC=C1N c02910 [0,0,0,0,0,0|3,0,1]=4
1  B11R1.17  CC1=C(OCCN)C=CC=C1 c02709 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.17  CCNCC1=C(Cl)C=CC=C1 c03998 [0,0,0,0,0,0|2,1,0]=3
3  B11R1.17  O=CNCC1=C(Cl)C=CC=C1 e00675 [0,0,0,0,0,0|3,1,0]=4
4  B12R1.125  C=C(C)COC1=CC=CC=C1N c03068 [0,1,0,0,0,0|3,0,0]=4
5  B12R1.125  CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [0,1,0,0,0,0|2,1,0]=4
6  B12R1.125  CC(C)COC1=CC=CC=C1N c04116 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.125  CC(C)NCC1=C(Cl)C=CC=C1 c04000 [0,1,0,0,0,0|2,1,0]=4
8  B12R1.125  CC(C)NCC1=CC=CC=C1Br c04046 [0,1,0,0,0,0|2,0,0]=3
9  B12R1.125  O=C(O)CCC1=C(Cl)C=CC=C1 c04893 [0,1,0,0,0,0|2,1,0]=4
10  B12R1.267  CCCNCC1=C(Cl)C=CC=C1 c04001 [0,1,0,0,0,0|1,1,0]=3
11  B12R1.267  CNCCOC1=C(C)C=CC=C1 c04113 [0,1,0,0,0,0|1,0,0]=2
12  B12R1.267  CNCCOC1=C(F)C=CC=C1 c04422 [0,1,0,0,0,0|0,1,0]=2
13  B9R1.8  BrCC[N+]1=CC=CC=C1 a01518 [2,0,0,0,0,0|2,0,0]=4
14  B11R1.86  CC(C)OC1=CC=CC=C1N c07269 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.86  CN(C)CC1=C(O)C=CC=C1 c02807 [1,1,0,0,0,0|1,0,0]=3
16  B11R1.86  CN(C)CC1=NC=CC=C1O c08864 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.222  CNC(=O)C1=CC=CC=C1N c01847 [1,1,0,0,0,0|1,0,1]=4
18  B11R1.1  CCNCC1=CC=C(Cl)C=C1 c04044 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.16  CCNC(C)C1=CC=CC=C1 a05379 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.28  CCCNCC1=CC=CC=C1 a07316 [1,1,0,0,0,0|1,0,0]=3
21  B11R1.28  OCCNCC1=CC=CC=C1 a05540 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.40  NNC(=O)CC1=CC=CC=C1 M06886 [1,1,0,0,0,0|1,0,1]=4
23  B13R1.16  CNCCOC1=C(C)C(C)=CC=C1 c04870 [0,2,0,0,0,0|1,0,0]=3
24  B13R1.369  COCCOC1=CC=C(Cl)C=C1N c01236 [0,2,0,0,0,0|2,0,0]=4
25  B13R1.202  CC1=CC=CC=C1CC(=O)N(C)C e00028 [0,2,0,0,0,0|1,0,1]=4
26  B13R1.528  CCC(C)NCC1=C(C)C=CC=C1 c04077 [0,2,0,0,0,0|2,0,0]=4
27  B13R1.528  CCC(C)NCC1=C(Cl)C=CC=C1 c04078 [0,2,0,0,0,0|1,1,0]=4
28  B13R1.528  CCC(C)NCC1=CC=CC=C1Br c04049 [0,2,0,0,0,0|1,0,0]=3
29  B13R1.528  CNC(=O)CCC1=C(N)C=CC=C1 c07689 [0,2,0,0,0,0|1,0,0]=3
30  B13R1.528  CNC(=O)COC1=C(C)C=CC=C1 c03106 [0,2,0,0,0,0|1,0,1]=4
31  B13R1.528  CNC(=O)COC1=C(F)C=CC=C1 c04291 [0,2,0,0,0,0|0,1,1]=4
32  B13R1.555  CCCCNCC1=C(Cl)C=CC=C1 c04080 [0,2,0,0,0,0|1,1,0]=4
33  B13R1.555  CCOCCOC1=CC=CC=C1N c04159 [0,2,0,0,0,0|2,0,0]=4
34  B11R2.20  C1=CC2=C(C=C1)NCCN2 a06863 [1,0,0,1,0,0|2,0,0]=4
35  B13R2.26  CNCC1=CC2=C(C=CC=C2)S1 a02712 [0,1,0,1,0,0|1,0,1]=4