smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1	ZINC000852754104	663898279	/nfs/dbraw/zinc/89/82/79/663898279.db2.gz	PHUOVTZQOFPCKD-OAHLLOKOSA-N	1	0	324.425	-1.017	20	10		DACDRO
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1O	ZINC001219923713	780162716	/nfs/dbraw/zinc/16/27/16/780162716.db2.gz	YHMRYCKCNAZMJR-WPRPVWTQSA-N	1	0	308.338	-1.284	20	10		DACDRO
CN1CC[NH+](CCCNC=C2C(=O)NC(=S)NC2=O)CC1	ZINC000730971407	663253987	/nfs/dbraw/zinc/25/39/87/663253987.db2.gz	WZBYNCMLDQQOBB-UHFFFAOYSA-N	1	0	311.411	-1.372	20	10		DACDRO
CS(=O)(=O)N(CC[NH3+])C(=O)CN1C(=O)CSC1=S	ZINC001144841133	781387473	/nfs/dbraw/zinc/38/74/73/781387473.db2.gz	RXNJZPXRJFDNJR-UHFFFAOYSA-N	1	0	311.410	-1.406	20	10		DACDRO
CN(C)c1ccc(CNC(=O)CN(CC[NH3+])C[C@H](O)CO)cc1	ZINC000852754103	663898363	/nfs/dbraw/zinc/89/83/63/663898363.db2.gz	PHUOVTZQOFPCKD-HNNXBMFYSA-N	1	0	324.425	-1.017	20	10		DACDRO