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-])C1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCCCCC1	ZINC000431999211	939171627	/nfs/dbraw/zinc/17/16/27/939171627.db2.gz	POTZAIQDFZODRN-UHFFFAOYSA-N	-2	3	434.489	3.534	20	0		IHADHL
Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2)cc(=O)[n-]1	ZINC000562407100	939323283	/nfs/dbraw/zinc/32/32/83/939323283.db2.gz	HKLLBAAZRKFMGH-GOSISDBHSA-N	-2	3	430.823	3.898	20	0		IHADHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)ccc2C)c(C)c1	ZINC000540703524	939292280	/nfs/dbraw/zinc/29/22/80/939292280.db2.gz	DPYMXJYNACJOSK-HSZRJFAPSA-N	-2	3	444.553	3.704	20	0		IHADHL
Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2)cc(=O)[n-]1	ZINC000562407101	939323538	/nfs/dbraw/zinc/32/35/38/939323538.db2.gz	HKLLBAAZRKFMGH-SFHVURJKSA-N	-2	3	430.823	3.898	20	0		IHADHL
CCC1CCC(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)(C(=O)[O-])CC1	ZINC000537404473	939270378	/nfs/dbraw/zinc/27/03/78/939270378.db2.gz	VRGPVGSIDVHWSE-UHFFFAOYSA-N	-2	3	448.516	3.780	20	0		IHADHL
CCC1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)(C(=O)[O-])CC1	ZINC000537402385	939267973	/nfs/dbraw/zinc/26/79/73/939267973.db2.gz	IMKQTIACCOLABU-UHFFFAOYSA-N	-2	3	448.516	3.780	20	0		IHADHL
Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccc(OC(F)F)cc3)cc2)cc(=O)[n-]1	ZINC000571955516	939395044	/nfs/dbraw/zinc/39/50/44/939395044.db2.gz	SCZAATOZJALDKK-SFHVURJKSA-N	-2	3	444.394	3.706	20	0		IHADHL
COc1ccc([C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C(=O)[O-])cc1Cl	ZINC000575241305	939732800	/nfs/dbraw/zinc/73/28/00/939732800.db2.gz	LYHXDFIMIAEZFU-LJQANCHMSA-N	-2	3	442.859	3.767	20	0		IHADHL
Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(OC(F)F)cc3)cc2)cc(=O)[n-]1	ZINC000571955513	939395100	/nfs/dbraw/zinc/39/51/00/939395100.db2.gz	SCZAATOZJALDKK-GOSISDBHSA-N	-2	3	444.394	3.706	20	0		IHADHL
COc1ccc([C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C(=O)[O-])cc1Cl	ZINC000575241304	939732673	/nfs/dbraw/zinc/73/26/73/939732673.db2.gz	LYHXDFIMIAEZFU-IBGZPJMESA-N	-2	3	442.859	3.767	20	0		IHADHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)ccc2C)c(C)c1	ZINC000540703525	939292346	/nfs/dbraw/zinc/29/23/46/939292346.db2.gz	DPYMXJYNACJOSK-QHCPKHFHSA-N	-2	3	444.553	3.704	20	0		IHADHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NC3(C(=O)[O-])CCCC3)ccc2C)c(C)c1	ZINC000499166575	939230653	/nfs/dbraw/zinc/23/06/53/939230653.db2.gz	DWVHHXLBHTUGRT-UHFFFAOYSA-N	-2	3	444.553	3.848	20	0		IHADHL
COc1cccc(S(=O)(=O)[N-]c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)c1	ZINC000061947370	563151429	/nfs/dbraw/zinc/15/14/29/563151429.db2.gz	BAQORPODJXBEJX-UHFFFAOYSA-N	-2	3	429.338	3.808	20	0		IHADHL