smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=C2C(=O)NC(=O)NC2=O)c([O-])c([N+](=O)[O-])c1	ZINC000005102414	294975364	/nfs/dbraw/zinc/97/53/64/294975364.db2.gz	YGNITCAAUYRFHI-UHFFFAOYSA-N	-1	2	307.218	0.058	50	10		DCCALM
Cc1cc(=O)oc2c1ccc(O)c2C[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000000056570	301068748	/nfs/dbraw/zinc/06/87/48/301068748.db2.gz	RJPSHDMGSVVHFA-UHFFFAOYSA-N	-1	2	321.285	0.778	50	10	biogenic	DCCALM
C[C@]1(O)Cc2oc3cc(O)c(O)c(C(=O)[O-])c3c(=O)c2CO1	ZINC000002040483	300853530	/nfs/dbraw/zinc/85/35/30/300853530.db2.gz	FCYKAQOGGFGCMD-CQSZACIVSA-N	-1	2	308.242	0.684	50	10	biogenic,in-vitro	DCCALM
C[C@@]1(O)Cc2oc3cc(O)c(O)c(C(=O)[O-])c3c(=O)c2CO1	ZINC000002040482	297926038	/nfs/dbraw/zinc/92/60/38/297926038.db2.gz	FCYKAQOGGFGCMD-AWEZNQCLSA-N	-1	2	308.242	0.684	50	10	biogenic,in-vitro	DCCALM