0  B14R1.60  C[C@@H](Cc1ccccc1)N(C)CC#C TS23758 [0,0,0,0,0,0|0,0,0]=0
1  B15R2.32  C[C@H]1[C@@H](OCCN1C)c2ccccc2 TS51343 [0,0,0,1,0,0|1,0,1]=3
2  B15R2.32  C[C@H]1[C@@H](OCCN1C)c2ccccc2 TS83114 [0,0,0,1,0,0|1,0,1]=3
3  B12R1.32  CCCC(C)Cc1ccccc1 TS11628 [2,0,0,0,0,0|0,0,2]=4
4  B12R1.32  CCNC(C)Cc1ccccc1 TS11746 [2,0,0,0,0,0|0,0,1]=3
5  B12R1.43  CN(C)C(=O)Cc1ccccc1 TS42597 [2,0,0,0,0,0|1,0,1]=4
6  B14R2.21  CN1CCNC(C1)c2ccccc2 TS46994 [1,0,0,1,0,0|1,0,1]=4
7  B14R2.21  CN1CCN[C@H](C1)c2ccccc2 TS46175 [1,0,0,1,0,0|1,0,1]=4
8  B14R2.6  c1ccc(cc1)CC2CNCCN2 TS55061 [1,0,0,1,0,0|1,0,1]=4
9  B14R2.6  c1ccc(cc1)C[C@@H]2CNCCN2 TS46166 [1,0,0,1,0,0|1,0,1]=4
10  B14R2.6  c1ccc(cc1)C[C@H]2CNCCN2 TS13919 [1,0,0,1,0,0|1,0,1]=4
11  B14R2.24  CC1C(OCCN1)c2ccccc2 TS46315 [1,0,0,1,0,0|1,0,1]=4
12  B16R2.6780  C[C@H]([C@H](c1ccccc1)O)N2CCCC2 TS38862 [0,1,0,1,0,0|0,0,2]=4
13  B16R2.6780  C[C@H]([C@H](c1ccccc1)O)N2CCCC2 TS57617 [0,1,0,1,0,0|0,0,2]=4
14  B12R1.30  C[C@@H](c1ccccc1)NCCO TS12067 [1,0,0,0,1,0|1,0,1]=4
15  B12R1.30  C[C@H](c1ccccc1)NCC=C TS42344 [1,0,0,0,1,0|0,0,2]=4
16  B12R1.30  C[C@H](c1ccccc1)NCCO TS46579 [1,0,0,0,1,0|1,0,1]=4