smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1[O-]	ZINC000034138121	568698681	/nfs/dbraw/zinc/69/86/81/568698681.db2.gz	UWADFGNQHMIBFB-RIYZIHGNSA-N	-2	3	400.818	4.259	40	10		HICBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000059135448	568700992	/nfs/dbraw/zinc/70/09/92/568700992.db2.gz	SIIADUGXCBYWGW-NTUHNPAUSA-N	-2	3	404.781	4.090	40	10		HICBHL
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000409249716	560702098	/nfs/dbraw/zinc/70/20/98/560702098.db2.gz	OAXLFEKETPKHDN-OQLLNIDSSA-N	-2	3	400.887	4.000	40	10		HICBHL
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc(C(=O)[O-])ccc1C	ZINC000016347094	558787096	/nfs/dbraw/zinc/78/70/96/558787096.db2.gz	ZVWYTUZCCRGJTP-YBEGLDIGSA-N	-2	3	414.259	4.174	40	10		HICBHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1[O-]	ZINC000059136286	568701291	/nfs/dbraw/zinc/70/12/91/568701291.db2.gz	PQYWQHZMKPFQSU-YRNVUSSQSA-N	-2	3	420.849	4.255	40	10		HICBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1[O-]	ZINC000059861337	568709188	/nfs/dbraw/zinc/70/91/88/568709188.db2.gz	MWTUTSCJRYBHNG-NTUHNPAUSA-N	-2	3	400.818	4.178	40	10		HICBHL
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc([O-])cc1	ZINC000100525384	560725100	/nfs/dbraw/zinc/72/51/00/560725100.db2.gz	QXWSIJQYTLDJBI-BFQBXFRASA-N	-2	3	422.426	4.299	40	10		HICBHL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)ccc1[O-]	ZINC000083327232	558833718	/nfs/dbraw/zinc/83/37/18/558833718.db2.gz	ALAXIFLDKXVKTM-MDWZMJQESA-N	-2	3	421.634	4.315	40	10		HICBHL
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc([O-])cc1	ZINC000100525388	560725156	/nfs/dbraw/zinc/72/51/56/560725156.db2.gz	QXWSIJQYTLDJBI-SIUCFOQUSA-N	-2	3	422.426	4.299	40	10		HICBHL
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408887968	560650412	/nfs/dbraw/zinc/65/04/12/560650412.db2.gz	VORGGEXZDPEGFS-IZZDOVSWSA-N	-2	3	411.628	4.019	40	10		HICBHL
O=C([O-])c1cccc(-c2ccc(/C=C3\[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000409103860	560675551	/nfs/dbraw/zinc/67/55/51/560675551.db2.gz	HJJSNPYLSKDUIL-BOPFTXTBSA-N	-2	3	408.797	4.396	40	10		HICBHL
CCN(CC)c1ccc(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)c([O-])c1	ZINC000004535904	560608312	/nfs/dbraw/zinc/60/83/12/560608312.db2.gz	AVVOWIIMZOYCKD-UHFFFAOYSA-N	-2	3	407.422	4.233	40	10		HICBHL