smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C(=O)C=CC1C(=O)C=C(C(=O)[O-])NC1=O	ZINC000013542839	560219377	/nfs/dbraw/zinc/21/93/77/560219377.db2.gz	ATWKTZAAIUROID-OWOJBTEDSA-N	-2	0	253.166	-0.142	1	30	in-vitro	CBEFRL
C#CCNC(=O)CC[C@@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000095593985	185014034	/nfs/dbraw/zinc/01/40/34/185014034.db2.gz	KCUHMTYWNZWCDT-ZETCQYMHSA-N	-2	0	255.226	-0.739	1	30		CBEFRL
O=C1c2ccc(O)cc2C(=O)N1[C@H]1CCC(=O)N([O-])C1=O	ZINC000038602223	174149104	/nfs/dbraw/zinc/14/91/04/174149104.db2.gz	RLBGOICZNMULCW-VIFPVBQESA-N	-2	0	290.231	-0.105	1	30	in-vivo	CBEFRL
C#CCNC(=O)CC[C@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000095593986	185014303	/nfs/dbraw/zinc/01/43/03/185014303.db2.gz	KCUHMTYWNZWCDT-SSDOTTSWSA-N	-2	0	255.226	-0.739	1	30		CBEFRL
O=C1c2ccc(O)cc2C(=O)N1[C@@H]1CCC(=O)N([O-])C1=O	ZINC000038602222	174149207	/nfs/dbraw/zinc/14/92/07/174149207.db2.gz	RLBGOICZNMULCW-SECBINFHSA-N	-2	0	290.231	-0.105	1	30	in-vivo	CBEFRL
O=C([O-])C(=O)C=CC1C(=O)C=C(C(=O)[O-])NC1=O	ZINC000013542838	560219414	/nfs/dbraw/zinc/21/94/14/560219414.db2.gz	ATWKTZAAIUROID-UPHRSURJSA-N	-2	0	253.166	-0.142	1	30	in-vitro	CBEFRL
O=C([O-])C(=O)C=Cc1c(O)cc(=O)[nH]c1C(=O)[O-]	ZINC000005955023	560203946	/nfs/dbraw/zinc/20/39/46/560203946.db2.gz	BKJRVOGPUXJCOY-OWOJBTEDSA-N	-2	0	253.166	-0.554	1	30	in-vitro	CBEFRL