smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000575627690	381040799	/nfs/dbraw/zinc/04/07/99/381040799.db2.gz	MAPSBMPWJNXRLS-IFTGGNMHSA-N	-1	0	347.367	-0.499	10	30		EBEERM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CC#N)[C@@H]2SC1	ZINC000003830497	519755371	/nfs/dbraw/zinc/75/53/71/519755371.db2.gz	RRYMAQUWDLIUPV-SKDRFNHKSA-N	-1	0	339.329	-0.798	10	30		EBEERM
O=C([O-])CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	ZINC000575409813	382091383	/nfs/dbraw/zinc/09/13/83/382091383.db2.gz	ROYPWGXODZJYGP-UHFFFAOYSA-N	-1	0	347.320	-0.492	10	30		EBEERM
CSc1nc(=NC(=O)NC[C@@H](O)CN2CCOCC2)s[n-]1	ZINC000329087461	545724246	/nfs/dbraw/zinc/72/42/46/545724246.db2.gz	HJDPBKQYGYSQDX-MRVPVSSYSA-N	-1	0	333.439	-0.299	10	30		EBEERM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000408335255	376865158	/nfs/dbraw/zinc/86/51/58/376865158.db2.gz	UBSQKCDMKYEWMW-WDEREUQCSA-N	-1	0	332.378	-0.975	10	30		EBEERM
CSc1nc(=NC(=O)NC[C@H](O)CN2CCOCC2)s[n-]1	ZINC000329087462	545724013	/nfs/dbraw/zinc/72/40/13/545724013.db2.gz	HJDPBKQYGYSQDX-QMMMGPOBSA-N	-1	0	333.439	-0.299	10	30		EBEERM
O=C([O-])C1Cc2cc(O)c(O)cc2C(C(=O)C2=CC(=O)C(=O)C=C2)=N1	ZINC000100487307	219100371	/nfs/dbraw/zinc/10/03/71/219100371.db2.gz	MYZUVSBNBVDFAM-UHFFFAOYSA-N	-1	0	341.275	-0.922	10	30		EBEERM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CC#N)[C@@H]2SC1	ZINC000003830499	210078100	/nfs/dbraw/zinc/07/81/00/210078100.db2.gz	RRYMAQUWDLIUPV-CABZTGNLSA-N	-1	0	339.329	-0.798	10	30		EBEERM
CC(=O)N(O)CCC[C@H]1NC(=O)[C@@H](CCCN(O)C(C)=O)NC1=O	ZINC000000057487	209393401	/nfs/dbraw/zinc/39/34/01/209393401.db2.gz	PUWVNTVQJFSBDH-VXGBXAGGSA-N	-1	0	344.368	-0.995	10	30		EBEERM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CC#N)[C@H]2SC1	ZINC000003830498	519755173	/nfs/dbraw/zinc/75/51/73/519755173.db2.gz	RRYMAQUWDLIUPV-JOYOIKCWSA-N	-1	0	339.329	-0.798	10	30		EBEERM
CC(C)(O/N=C(\C(=O)NC(=O)CC=O)c1csc(N)n1)C(=O)[O-]	ZINC000103530371	278652809	/nfs/dbraw/zinc/65/28/09/278652809.db2.gz	GIDLWSFTLBQTOV-PXNMLYILSA-N	-1	0	342.333	-0.459	10	30	in-vitro	EBEERM
C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000044028816	419043393	/nfs/dbraw/zinc/04/33/93/419043393.db2.gz	MAPSBMPWJNXRLS-DYSFYUKASA-N	-1	0	347.367	-0.499	10	30	in-vitro	EBEERM
C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000575627691	381039961	/nfs/dbraw/zinc/03/99/61/381039961.db2.gz	MAPSBMPWJNXRLS-RGGMIXCSSA-N	-1	0	347.367	-0.499	10	30		EBEERM