smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=S)NN=Cc1ccco1	5548945	169132793	/nfs/dbraw/zinc/13/27/93/169132793.db2.gz	ZLHKUOXVUSHCLN-YWEYNIOJSA-N	-1	2	169.209	0.858	40	30		ACEBLM
[NH2+]=C(NO)NN=Cc1ccccc1O	5813478	169143216	/nfs/dbraw/zinc/14/32/16/169143216.db2.gz	XKXGOQZSTRVCBQ-YHYXMXQVSA-N	-1	2	194.194	0.229	40	30		ACEBLM
Cc1c(O)[n-]c(=O)c(C#N)c1C	18128689	343047624	/nfs/dbraw/zinc/04/76/24/343047624.db2.gz	DHPHUDCGMJKPHT-UHFFFAOYSA-N	-1	2	164.164	0.569	40	30		ACEBLM
N#Cc1ccc([P@](=O)([O-])O)cc1	1870284	375285697	/nfs/dbraw/zinc/28/56/97/375285697.db2.gz	VRNGJVDKKRAVFE-UHFFFAOYSA-N	-1	2	183.103	0.361	40	30	in-vitro	ACEBLM
N#Cc1ccc([P@@](=O)([O-])O)cc1	1870284	375285699	/nfs/dbraw/zinc/28/56/99/375285699.db2.gz	VRNGJVDKKRAVFE-UHFFFAOYSA-N	-1	2	183.103	0.361	40	30	in-vitro	ACEBLM