0  B17R1.4995  CC(SC(=O)c1cccs1)C(=O)NCC(=O)O Amb8387090 [0,0,0,0,0,0|0,0,0]=0
1  B16R1.1297  O=C(O)CCC(=O)CCC(=O)c1cccs1 Amb1055771 [1,0,0,0,0,0|2,0,0]=3
2  B16R1.1297  O=C(O)CNC(=O)CNC(=O)c1ccco1 Amb6355424 [1,0,0,0,0,0|1,1,0]=3
3  B16R1.1297  O=C(O)CNC(=O)CNC(=O)c1cccs1 Amb6477340 [1,0,0,0,0,0|1,0,0]=2
4  B18R1.5064  CC(SC(=O)c1ccccc1)C(=O)NCC(=O)O Amb24079704 [0,0,0,0,0,1|1,0,0]=2
5  B18R1.5064  C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(=O)O Amb22750653 [0,0,0,0,0,1|3,0,0]=4
6  B17R1.8223  Cc1ccc(C(=O)CCC(=O)CCC(=O)O)s1 Amb6892696 [1,1,0,0,0,0|2,0,0]=4
7  B17R1.8223  Nc1ccc(C(=O)NCC(=O)NCC(=O)O)o1 Amb18107167 [1,1,0,0,0,0|1,1,0]=4
8  B17R1.16417  O=C(O)CNC(=O)CNS(=O)(=O)c1cccs1 Amb9239653 [1,1,0,0,0,0|2,0,0]=4
9  B19R1.25987  CC(NC(=O)C(C)NC(=O)c1ccccc1)C(=O)O Amb6530121 [0,1,0,0,0,1|2,0,0]=4
10  B17R1.14407  CC(Sc1cccc(Cl)c1)C(=O)NCC(=O)O Amb17147234 [0,0,1,1,0,0|2,0,0]=4
11  B17R1.14407  Cc1cccc(SC(C)C(=O)NCC(=O)O)c1 Amb17145609 [0,0,1,1,0,0|2,0,0]=4
12  B17R2.19339  O=C1CC(C(=O)O)N(C(=O)c2cccs2)C1 Amb17347998 [1,0,0,1,0,0|2,0,0]=4
13  B17R2.180910  CN1C(=O)c2sccc2N(CC(=O)O)C1=O Amb32441460 [0,0,0,1,1,0|1,0,0]=3
14  B19R2.500466  O=C(O)CN1CCC(SC(=O)c2cccs2)C1=O Amb24069152 [0,1,0,1,0,0|0,0,0]=2
15  B17R1.1327  O=C(O)CNC(=O)CNC(=O)c1ccccc1 Amb6565551 [1,0,0,0,0,1|2,0,0]=4