smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c[nH+]cc1/C=C(/C#N)C(=O)[O-]	85183087	957882987	/nfs/dbraw/zinc/88/29/87/957882987.db2.gz	WJBWMAPSLRZJOF-CLTKARDFSA-N	0	2	191.190	0.895	20	50		ACGDLN
CCn1c[nH+]cc1/C=C(\C#N)C(=O)[O-]	217927969	959781034	/nfs/dbraw/zinc/78/10/34/959781034.db2.gz	WJBWMAPSLRZJOF-XVNBXDOJSA-N	0	2	191.190	0.895	20	50		ACGDLN
N#C/C(=C\c1[nH]cc[nH+]1)C(=O)[O-]	575461305	974800282	/nfs/dbraw/zinc/80/02/82/974800282.db2.gz	YOWHDMTZFPJXLZ-HWKANZROSA-N	0	2	163.136	0.401	20	50		ACGDLN
N#C/C(=C/c1[nH]cc[nH+]1)C(=O)[O-]	606249400	975016395	/nfs/dbraw/zinc/01/63/95/975016395.db2.gz	YOWHDMTZFPJXLZ-HYXAFXHYSA-N	0	2	163.136	0.401	20	50		ACGDLN