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-])CN(CC(=O)[O-])Cc1ccc(O)cc1O	ZINC000000968695	304066054	/nfs/dbraw/zinc/06/60/54/304066054.db2.gz	RUJCPBLFBWDYRR-UHFFFAOYSA-N	-2	1	255.226	0.069	50	10		CCCAML
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000019201752	304263544	/nfs/dbraw/zinc/26/35/44/304263544.db2.gz	LEPFREQIUCAJCT-UHFFFAOYSA-N	-2	1	291.288	0.212	50	10		CCCAML
O=C([O-])CN(CC(=O)[O-])Cc1c(O)cccc1O	ZINC000002198697	169781261	/nfs/dbraw/zinc/78/12/61/169781261.db2.gz	ASBYVAMEWVUVNX-UHFFFAOYSA-N	-2	1	255.226	0.069	50	10		CCCAML
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000003066984	347977156	/nfs/dbraw/zinc/97/71/56/347977156.db2.gz	UNMBLQZTAKRNCQ-UHFFFAOYSA-N	-2	1	291.288	0.212	50	10		CCCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nnn[n-]1	ZINC000100149049	349655880	/nfs/dbraw/zinc/65/58/80/349655880.db2.gz	FBSDCTWSBXDHAF-JXMROGBWSA-N	-2	1	269.268	0.918	50	10		CCCAML
Cc1cc(S(=O)(=O)[O-])ccc1-n1[nH]c(C(=O)[O-])cc1=O	ZINC000004578110	347997862	/nfs/dbraw/zinc/99/78/62/347997862.db2.gz	WPBFQWYLRKBVCE-UHFFFAOYSA-N	-2	1	298.276	0.419	50	10		CCCAML
Cc1cc(S(=O)(=O)[O-])ccc1-n1[n-]c(C(=O)[O-])cc1=O	ZINC000004578110	347997866	/nfs/dbraw/zinc/99/78/66/347997866.db2.gz	WPBFQWYLRKBVCE-UHFFFAOYSA-N	-3	1	298.276	0.419	50	10		CCCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nnn[n-]1	ZINC000100149045	349655981	/nfs/dbraw/zinc/65/59/81/349655981.db2.gz	FBSDCTWSBXDHAF-YFHOEESVSA-N	-2	1	269.268	0.918	50	10		CCCAML
O=C([O-])c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000004012812	347988597	/nfs/dbraw/zinc/98/85/97/347988597.db2.gz	TYCNXOAPQGVAQU-UHFFFAOYSA-N	-2	1	284.249	0.111	50	10		CCCAML
O=C([O-])c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[n-]1	ZINC000004012812	347988599	/nfs/dbraw/zinc/98/85/99/347988599.db2.gz	TYCNXOAPQGVAQU-UHFFFAOYSA-N	-3	1	284.249	0.111	50	10		CCCAML
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000001851000	304248253	/nfs/dbraw/zinc/24/82/53/304248253.db2.gz	QYQGDHCFEIBAOO-UHFFFAOYSA-N	-2	1	291.288	0.212	50	10		CCCAML