0  B12R1.255  O=C(O)CNCCC1=CC=CS1 Z1259273193 [1,0,0,0,0,0|1,0,2]=4
1  B14R1.731  O=C(NCC(O)CO)NC1=NC=CS1 Z1461996464 [0,1,0,0,0,0|3,0,0]=4
2  B14R1.6470  O=C(CC1=CC=CS1)NCC(F)(F)F Z33476184 [0,1,0,0,0,0|3,0,0]=4
3  B12R1.54  CC(C)CNC(=O)C1=CC=CS1 Z32386134 [0,0,0,0,1,0|3,0,0]=4
4  B12R1.54  O=C(O)CCC(=O)C1=CC=CS1 Z56857914 [0,0,0,0,1,0|2,0,1]=4
5  B12R1.54  O=C(O)CNC(=O)C1=CC=CS1 Z56886259 [0,0,0,0,1,0|1,0,1]=3
6  B14R1.423  CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [0,0,0,0,0,1|3,0,0]=4
7  B14R1.423  O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,0,0,0,0,1|2,0,1]=4
8  B14R1.4526  CC(C)CNC(=O)NCC1=CC=CS1 Z195698862 [0,0,0,0,0,1|3,0,0]=4
9  B14R1.4526  CC(O)CNC(=O)NCC1=CC=CS1 Z166720136 [0,0,0,0,0,1|2,0,0]=3
10  B14R1.4526  O=C(O)CNC(=O)NCC1=CC=CO1 Z278201192 [0,0,0,0,0,1|1,1,1]=4
11  B13R1.129  CC1=CC=C(S1)C(=O)NCC(=O)O Z56891397 [0,1,0,0,1,0|1,0,1]=4
12  B13R1.129  O=C(O)CNC(=O)C1=CC(=CS1)Br Z1416188675 [0,1,0,0,1,0|1,0,1]=4
13  B13R1.129  O=C(O)CNC(=O)C1=CC=C(S1)Br Z85887069 [0,1,0,0,1,0|1,0,1]=4
14  B13R1.162  CC(CO)CNC(=O)C1=CC=CS1 Z1258592645 [0,1,0,0,1,0|2,0,0]=4
15  B13R1.162  COC(=O)CNC(=O)C1=CC=CS1 Z18633406 [0,1,0,0,1,0|1,0,1]=4
16  B13R1.339  CC(NC(=O)C1=CC=CS1)C(=O)O Z57228584 [0,1,0,0,1,0|1,0,1]=4
17  B13R1.340  CN(CC(=O)O)C(=O)C1=CC=CS1 Z85895273 [0,1,0,0,1,0|1,0,1]=4
18  B15R1.513  CC(C(=O)NCCC(=O)O)C1=CC=CS1 Z1443841339 [0,1,0,0,0,1|1,0,1]=4
19  B15R1.5464  CC(O)CNC(=O)CCC1=CC=C(S1)Cl Z451109720 [0,1,0,0,0,1|2,0,0]=4
20  B15R1.5484  CC(C(=O)NCC(=O)O)C1=CC=C(S1)Br Z1443708297 [0,2,0,0,0,0|1,0,1]=4
21  B15R1.3185  CC[C@H](NC(=O)CC1=CC=CS1)C(=O)O Z1470125623 [0,2,0,0,0,0|1,0,1]=4
22  B13R2.18  O=C1NCCNC1C2=CC=CS2 Z978935216 [1,0,0,1,0,0|2,0,0]=4
23  B11R1.29  C#CCNC(=O)C1=CC=CS1 Z52404464 [1,0,0,0,1,0|2,0,0]=4
24  B11R1.29  CCCNC(=O)C1=CC=CS1 Z33030702 [1,0,0,0,1,0|2,0,0]=4
25  B11R1.29  NCCNC(=O)C1=CC=CS1 Z259720766 [1,0,0,0,1,0|2,0,0]=4
26  B11R1.35  O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,0,0,2,0|1,0,1]=4
27  B13R1.153  O=C(/C=C/C1=CC=CS1)NCCO Z31725542 [1,0,0,0,0,1|1,0,1]=4