smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOS(=O)(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12	ZINC000068247544	569691168	/nfs/dbraw/zinc/69/11/68/569691168.db2.gz	XGIYOABXZNJOHV-APIYUPOTSA-N	-1	0	472.688	4.459	30	0		JIACRM
Cc1cc([N-]S(=O)(=O)c2nc3nc(Cl)nc(Cl)c3s2)ccc1Br	ZINC000015444091	525289356	/nfs/dbraw/zinc/28/93/56/525289356.db2.gz	JXXQAKANEGCXAG-UHFFFAOYSA-N	-1	0	454.158	4.265	30	0		JIACRM
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(=O)[O-])[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12	ZINC000049670165	563203106	/nfs/dbraw/zinc/20/31/06/563203106.db2.gz	NPBCMXATLRCCLF-VPYPQICLSA-N	-1	0	450.660	4.331	30	0		JIACRM