0  B12R1.1  CCCCCC1=CC=C(Br)C=C1 B10180 [0,0,1,0,0,0|3,0,0]=4
1  B12R1.1  CCCCCC1=CC=C(O)C=C1 P7653 [0,0,1,0,0,0|3,0,0]=4
2  B12R1.1  CCCCOC1=CC=C(N)C=C1 B7681 [0,0,1,0,0,0|1,0,0]=2
3  B12R1.1  CCCCOC1=CC=C(O)C=C1 B6915 [0,0,1,0,0,0|2,0,0]=3
4  B12R1.1  FC1=CC=C(OCCCCl)C=C1 C1091 [0,0,1,0,0,0|3,0,0]=4
5  B12R1.49  CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,0,1,0,0,0|2,0,0]=3
6  B11R1.1  CCCCC1=CC=C(N)C=C1 B1469 [1,0,1,0,0,0|1,0,0]=3
7  B11R1.1  CCCCC1=CC=C(S)C=C1 B7731 [1,0,1,0,0,0|2,0,0]=4
8  B11R1.1  CNCCC1=CC=C(O)C=C1 M14940 [1,0,1,0,0,0|2,0,0]=4
9  B11R1.1  COCCC1=CC=C(O)C=C1 M0084 [1,0,1,0,0,0|1,0,0]=3
10  B11R1.1  ClCCOC1=CC=C(Cl)C=C1 C1057 [1,0,1,0,0,0|2,0,0]=4
11  B11R1.20  CC(C)CC1=CC=C(Br)C=C1 B9590 [1,0,1,0,0,0|2,0,0]=4
12  B11R1.20  NC1=CC=C(OC(F)F)C=C1 D7481 [1,0,1,0,0,0|2,0,0]=4
13  B11R1.40  N[C@@H](CO)CC1=CC=CC=C1 A2030 [1,0,1,0,0,0|2,0,0]=4
14  B11R1.40  N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,1,0,0,0|2,0,0]=4
15  B11R1.40  N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,1,0,0,0|2,0,0]=4
16  B13R1.133  C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H8280 [0,1,1,0,0,0|1,0,1]=4
17  B13R1.145  CC[C@@H](CO)NC1=CC=C(C)C=C1 T16406 [0,1,1,0,0,0|2,0,0]=4
18  B13R2.520  O=C(C1=CC=C(Cl)C=C1)C2CC2 C2242 [0,1,0,0,1,0|2,0,0]=4
19  B13R2.520  O=C(C1=CC=C(F)C=C1)C2CC2 C7628 [0,1,0,0,1,0|2,0,0]=4
20  B15R2.98  NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,0,0,1|1,0,1]=4
21  B13R2.162  CN1CCCC2=C1C=C(N)C=C2 A7546 [0,0,1,1,0,0|2,0,0]=4
22  B11R1.22  CCC(O)C1=CC=C(N)C=C1 A14442 [0,0,1,0,1,0|2,0,0]=4
23  B11R2.34  ClC1=CC=C([C@H]2CO2)C=C1 C19012 [0,0,0,0,2,0|1,0,0]=3
24  B13R2.64  C1=CC=C(CC2CCCN2)C=C1 B15290 [1,0,0,0,0,1|2,0,0]=4
25  B13R2.64  C1=CC=C(NC2CCCC2)C=C1 C17012 [1,0,0,0,0,1|2,0,0]=4