smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCn1cc(C(=O)c2ccc([O-])cc2)c2ccccc21	ZINC000095803969	563931733	/nfs/dbraw/zinc/93/17/33/563931733.db2.gz	ZPPQEOQJTJSGKK-UHFFFAOYSA-N	-1	1	307.393	4.768	40	0	in-vitro	DJABMM
CCCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1	ZINC000020158353	182192838	/nfs/dbraw/zinc/19/28/38/182192838.db2.gz	FRPJLTOOLCPLPW-UHFFFAOYSA-N	-1	1	324.380	4.719	40	0		DJABMM
CC(C)c1ccc2nccc(Nc3cccc(C(=O)[O-])c3)c2c1	ZINC000078401445	563512784	/nfs/dbraw/zinc/51/27/84/563512784.db2.gz	DKJRTSKDBCXLNO-UHFFFAOYSA-N	-1	1	306.365	4.800	40	0		DJABMM
CCOc1ccc2ccccc2c1-c1nc2ccccc2c(=O)[n-]1	ZINC000575410862	563855905	/nfs/dbraw/zinc/85/59/05/563855905.db2.gz	GXZLMHJKYGTRAW-UHFFFAOYSA-N	-1	1	316.360	4.554	40	0		DJABMM
CCc1cccc2c(Nc3cccc(C(=O)[O-])c3)cc(C)nc12	ZINC000078401600	563513043	/nfs/dbraw/zinc/51/30/43/563513043.db2.gz	YUMAZWQYPMBCLU-UHFFFAOYSA-N	-1	1	306.365	4.547	40	0		DJABMM
CCCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000020158419	182193904	/nfs/dbraw/zinc/19/39/04/182193904.db2.gz	MQKBRIGGDOPLEP-UHFFFAOYSA-N	-1	1	324.380	4.719	40	0		DJABMM
[O-]c1c(Cl)cc(Cl)cc1Cc1ccc(O)c(Cl)c1	ZINC000001760437	563295311	/nfs/dbraw/zinc/29/53/11/563295311.db2.gz	SSGFIWUNXJVUJB-UHFFFAOYSA-N	-1	1	303.572	4.649	40	0	in-vitro	DJABMM
CC(C)c1ccc2nccc(Nc3ccc(C(=O)[O-])cc3)c2c1	ZINC000078401443	563512411	/nfs/dbraw/zinc/51/24/11/563512411.db2.gz	VJDZOADOWGOKAM-UHFFFAOYSA-N	-1	1	306.365	4.800	40	0		DJABMM
CCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1	ZINC000070462039	190898793	/nfs/dbraw/zinc/89/87/93/190898793.db2.gz	LNVZTVFQVKPJNP-UHFFFAOYSA-N	-1	1	324.380	4.672	40	0		DJABMM
CCCCC(=O)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1	ZINC000070462019	563812919	/nfs/dbraw/zinc/81/29/19/563812919.db2.gz	DVGAJGQPILQVQU-UHFFFAOYSA-N	-1	1	324.380	4.638	40	0		DJABMM
[O-]c1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl	ZINC000048727955	563574515	/nfs/dbraw/zinc/57/45/15/563574515.db2.gz	ZKKNYYPXBSZUCI-UHFFFAOYSA-N	-1	1	302.588	4.965	40	0		DJABMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1	ZINC000014257176	181946190	/nfs/dbraw/zinc/94/61/90/181946190.db2.gz	CTWHWXYUOJSLKZ-UHFFFAOYSA-N	-1	1	317.454	4.536	40	0		DJABMM
Cc1c2ccc([O-])cc2oc(=O)c1Sc1ccc(Cl)cc1	ZINC000027531094	563857209	/nfs/dbraw/zinc/85/72/09/563857209.db2.gz	BIKMRWAWMDZHIG-UHFFFAOYSA-N	-1	1	318.781	4.612	40	0		DJABMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1	ZINC000006919558	563335236	/nfs/dbraw/zinc/33/52/36/563335236.db2.gz	MUCYAWPXDFZJQC-UHFFFAOYSA-N	-1	1	317.454	4.734	40	0		DJABMM
CCc1cccc2c(Nc3ccccc3C(=O)[O-])cc(C)nc12	ZINC000078401602	563513442	/nfs/dbraw/zinc/51/34/42/563513442.db2.gz	NOBRXFNMFZHUJG-UHFFFAOYSA-N	-1	1	306.365	4.547	40	0		DJABMM
O=C(Nc1cccc2c1CCCC2)c1cc2ccccc2cc1[O-]	ZINC000001669818	563633864	/nfs/dbraw/zinc/63/38/64/563633864.db2.gz	CJAWKAZXLLCQBT-UHFFFAOYSA-N	-1	1	317.388	4.677	40	0		DJABMM
CCC[C@H](OC)c1oc2ccccc2c1C(=O)c1ccc([O-])cc1	ZINC000077286509	563927737	/nfs/dbraw/zinc/92/77/37/563927737.db2.gz	PTBKCIBTSCQQPG-KRWDZBQOSA-N	-1	1	324.376	4.857	40	0	in-vitro	DJABMM
CCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c([O-])c1	ZINC000070462042	563813115	/nfs/dbraw/zinc/81/31/15/563813115.db2.gz	DSQDRIOYMGYJDY-UHFFFAOYSA-N	-1	1	324.380	4.638	40	0		DJABMM
CC(C)c1ccc2nccc(Nc3ccccc3C(=O)[O-])c2c1	ZINC000078401448	191858225	/nfs/dbraw/zinc/85/82/25/191858225.db2.gz	BHNVCAWUUMCMOV-UHFFFAOYSA-N	-1	1	306.365	4.800	40	0		DJABMM
CCc1cccc2c(Nc3ccc(C(=O)[O-])cc3)cc(C)nc12	ZINC000078401597	563513485	/nfs/dbraw/zinc/51/34/85/563513485.db2.gz	PRPBCBPFXOSXSR-UHFFFAOYSA-N	-1	1	306.365	4.547	40	0		DJABMM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000005579392	181260052	/nfs/dbraw/zinc/26/00/52/181260052.db2.gz	CDAHODDREZXBIE-UHFFFAOYSA-N	-1	1	323.845	4.573	40	0		DJABMM
CCC[C@@H](OC)c1oc2ccccc2c1C(=O)c1ccc([O-])cc1	ZINC000077286511	563927729	/nfs/dbraw/zinc/92/77/29/563927729.db2.gz	PTBKCIBTSCQQPG-QGZVFWFLSA-N	-1	1	324.376	4.857	40	0	in-vitro	DJABMM
CCC(=O)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1	ZINC000070462015	563813208	/nfs/dbraw/zinc/81/32/08/563813208.db2.gz	WCLTYJKKWCIXOH-UHFFFAOYSA-N	-1	1	324.380	4.672	40	0		DJABMM