0  B14R2.3  C#CCN[C@@H]1CCc2c1cccc2 TS22735 [0,0,0,0,0,0|0,0,0]=0
1  B14R2.3  CC#CNC1CCc2c1cccc2 TS13038 [0,0,0,0,0,0|0,0,2]=2
2  B13R2.1  C#CCn1c2ccccc2nn1 TS41773 [1,0,0,0,0,0|3,0,0]=4
3  B15R2.73  CN(CC#C)[C@@H]1CCc2c1cccc2 TS15494 [0,1,0,0,0,0|0,0,0]=1
4  B15R2.73  CN(CC#C)[C@H]1CCc2c1cccc2 TS15496 [0,1,0,0,0,0|0,0,0]=1
5  B13R1.26  CCN(CCC#N)c1ccccc1 TS13557 [0,0,1,0,0,0|3,0,0]=4
6  B13R1.28  CCCCCCCc1ccccc1 TS13920 [0,0,1,0,0,0|1,0,2]=4
7  B13R1.28  c1ccc(cc1)CCCCCCBr TS57518 [0,0,1,0,0,0|2,0,1]=4
8  B13R1.28  c1ccc(cc1)CCCCCCO TS47608 [0,0,1,0,0,0|2,0,1]=4
9  B15R2.18471  [C-]#[N+]CCC1CCCc2c1cccc2 TS48771 [0,0,0,0,0,1|2,0,1]=4
10  B12R1.30  C[C@@H](c1ccccc1)NCCO TS12067 [1,0,1,0,0,0|1,0,1]=4
11  B12R1.30  C[C@H](c1ccccc1)NCC=C TS42344 [1,0,1,0,0,0|0,0,2]=4
12  B12R1.30  C[C@H](c1ccccc1)NCCO TS46579 [1,0,1,0,0,0|1,0,1]=4
13  B12R1.8  CC#CCCCc1ccccc1 TS41962 [1,0,1,0,0,0|0,0,2]=4
14  B12R1.8  CCCCCCc1ccccc1 TS11621 [1,0,1,0,0,0|0,0,2]=4
15  B12R1.8  c1ccc(cc1)CCCCCBr TS24328 [1,0,1,0,0,0|1,0,1]=4
16  B12R1.8  c1ccc(cc1)CCCCCN TS11750 [1,0,1,0,0,0|1,0,1]=4
17  B12R1.8  c1ccc(cc1)COCCC#N TS42314 [1,0,1,0,0,0|2,0,0]=4
18  B12R2.1  c1ccc2c(c1)CCC2C=O TS07225 [2,0,0,0,0,0|1,0,1]=4
19  B12R2.1  c1ccc2c(c1)CCC2CN TS40569 [2,0,0,0,0,0|1,0,0]=3
20  B14R1.123  CCCNCCNCc1ccccc1 TS51547 [0,1,1,0,0,0|0,0,2]=4
21  B14R2.2  c1ccc2c(c1)CCC2CC(=O)O TS01064 [1,1,0,0,0,0|1,0,1]=4
22  B14R2.2  c1ccc2c(c1)CCC2CC(=O)O TS13859 [1,1,0,0,0,0|1,0,1]=4
23  B14R2.6  c1ccc(cc1)CC2CCCNC2 TS46011 [0,0,1,1,0,0|0,0,2]=4
24  B14R2.6  c1ccc(cc1)CC2CNCCN2 TS55061 [0,0,1,1,0,0|1,0,1]=4
25  B14R2.6  c1ccc(cc1)C[C@@H]2CNCCN2 TS46166 [0,0,1,1,0,0|1,0,1]=4
26  B14R2.6  c1ccc(cc1)C[C@H]2CNCCN2 TS13919 [0,0,1,1,0,0|1,0,1]=4
27  B14R2.101  c1ccc(cc1)CCC2CCCN2 TS46008 [0,0,1,1,0,0|0,0,2]=4
28  B14R2.7150  c1ccc2c(c1)CCCN2CCN TS13908 [0,0,1,1,0,0|1,0,1]=4