smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@H](NC(=O)[C@H](CC(=O)[O-])NC(C)=O)C(=O)[O-]	ZINC000073198981	203259359	/nfs/dbraw/zinc/25/93/59/203259359.db2.gz	IRKQLRPKWIMPEM-RYUDHWBXSA-N	-2	0	330.381	0.896	1	30	in-vitro	ECEFRL
CCCCCCC[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(C)=O)C(=O)[O-]	ZINC000073198982	216361855	/nfs/dbraw/zinc/36/18/55/216361855.db2.gz	IRKQLRPKWIMPEM-NEPJUHHUSA-N	-2	0	330.381	0.896	1	30		ECEFRL
N#Cc1c[n-]n2c1nc(C(=O)NCc1ccc(F)cc1)c([O-])c2=O	ZINC000102409089	219200985	/nfs/dbraw/zinc/20/09/85/219200985.db2.gz	YNLBZOUKMDFTLW-UHFFFAOYSA-N	-2	0	327.275	0.669	1	30		ECEFRL
C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCCCS)C(=O)[O-]	ZINC000013543083	560219393	/nfs/dbraw/zinc/21/93/93/560219393.db2.gz	PRNNQVAYHYUTOD-APPZFPTMSA-N	-3	0	329.311	0.544	1	30	in-vitro	ECEFRL
CCCCCCCC[NH2+]CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000103224918	204068134	/nfs/dbraw/zinc/06/81/34/204068134.db2.gz	DWNAIXGVSUHJJI-UHFFFAOYSA-N	-3	0	333.258	0.938	1	30		ECEFRL