smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)NCc1ccc(O)cc1O	83342465	169174817	/nfs/dbraw/zinc/17/48/17/169174817.db2.gz	RCDUMHCOBXITMV-UHFFFAOYSA-N	0	3	196.206	-0.327	20	10		ABCDHN
[O-]c1ccccc1C[NH2+]C(CO)CO	83691028	351646477	/nfs/dbraw/zinc/64/64/77/351646477.db2.gz	LYELOLQCTDKYBW-UHFFFAOYSA-N	0	3	197.234	-0.165	20	10		ABCDHN
NCC(=O)NCCc1ccc(N)cc1	164439614	629964402	/nfs/dbraw/zinc/96/44/02/629964402.db2.gz	ZITKOZNFNXRJIX-UHFFFAOYSA-N	0	3	193.250	-0.114	20	10		ABCDHN
NCC(=O)NCc1c(O)cccc1O	1580210792	1170751164	/nfs/dbraw/zinc/75/11/64/1170751164.db2.gz	RCRXACKKVQIHGC-UHFFFAOYSA-N	0	3	196.206	-0.327	20	10		ABCDHN