smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])cc1	ZINC000408889320	528355635	/nfs/dbraw/zinc/35/56/35/528355635.db2.gz	BTBMBSDPVUZYON-UHFFFAOYSA-N	-2	0	398.440	4.278	40	0		GIABRL
CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC2	ZINC000011616686	818099723	/nfs/dbraw/zinc/09/97/23/818099723.db2.gz	IWCWQNVIUXZOMJ-YSIASYRMSA-N	-2	0	380.506	4.152	40	0		GIABRL
CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2	ZINC000008665262	204283679	/nfs/dbraw/zinc/28/36/79/204283679.db2.gz	IWCWQNVIUXZOMJ-YZGWKJHDSA-N	-2	0	380.506	4.152	40	0		GIABRL
Cc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])cc1C	ZINC000408878384	231124130	/nfs/dbraw/zinc/12/41/30/231124130.db2.gz	BABCJIOSHYKNSS-UHFFFAOYSA-N	-2	0	382.441	4.496	40	0		GIABRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl	ZINC000026844975	570907265	/nfs/dbraw/zinc/90/72/65/570907265.db2.gz	WFQZFWXDTMOCKN-UHFFFAOYSA-N	-2	0	380.636	4.146	40	0		GIABRL
Cc1ccc(-c2ccc(C(=O)[O-])o2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000226353566	534185649	/nfs/dbraw/zinc/18/56/49/534185649.db2.gz	PIEAGYXXLJQPJJ-UHFFFAOYSA-N	-2	0	391.832	4.407	40	0		GIABRL
O=C([O-])CC(CC(=O)[O-])[C@H](c1ccccc1)c1ccccc1Br	ZINC000002044205	570272384	/nfs/dbraw/zinc/27/23/84/570272384.db2.gz	VFCAYEIZXIDRCC-SFHVURJKSA-N	-2	0	377.234	4.147	40	0		GIABRL
O=C([O-])CCCc1ccc2c(c1)CC1(C2)Cc2ccc(CCCC(=O)[O-])cc2C1	ZINC000001855668	206393403	/nfs/dbraw/zinc/39/34/03/206393403.db2.gz	PJCMQCCSTFYTBF-UHFFFAOYSA-N	-2	0	392.495	4.385	40	0		GIABRL
CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC2	ZINC000005733708	570454181	/nfs/dbraw/zinc/45/41/81/570454181.db2.gz	IWCWQNVIUXZOMJ-RLLQIKCJSA-N	-2	0	380.506	4.152	40	0		GIABRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1F	ZINC000007057615	570500462	/nfs/dbraw/zinc/50/04/62/570500462.db2.gz	HRMMRQMSJAXWFN-UHFFFAOYSA-N	-2	0	387.388	4.117	40	0		GIABRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1	ZINC000003015050	570326137	/nfs/dbraw/zinc/32/61/37/570326137.db2.gz	RHIDAXJRHKFRDN-UHFFFAOYSA-N	-2	0	387.388	4.117	40	0		GIABRL
O=C([O-])c1sc2c(c1Cl)c([O-])c(Br)cc2Br	ZINC000228934972	570951965	/nfs/dbraw/zinc/95/19/65/570951965.db2.gz	MIRPNPDRQCVZJW-UHFFFAOYSA-N	-2	0	386.448	4.484	40	0		GIABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100726170	208379513	/nfs/dbraw/zinc/37/95/13/208379513.db2.gz	YDMZXGPBPJQQPH-PMACEKPBSA-N	-2	0	388.471	4.090	40	0		GIABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100726166	208379751	/nfs/dbraw/zinc/37/97/51/208379751.db2.gz	YDMZXGPBPJQQPH-WOJBJXKFSA-N	-2	0	388.471	4.090	40	0		GIABRL
O=C([O-])Cc1c2cc(F)ccc2n(Cc2cccc3ccccc32)c1C(=O)[O-]	ZINC000072482133	208032965	/nfs/dbraw/zinc/03/29/65/208032965.db2.gz	AASYYGYJPZBFKC-UHFFFAOYSA-N	-2	0	377.371	4.307	40	0		GIABRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1	ZINC000223370129	570462222	/nfs/dbraw/zinc/46/22/22/570462222.db2.gz	UOPUCMIGMCZIEX-UHFFFAOYSA-N	-2	0	387.388	4.117	40	0		GIABRL
C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3Cl)c2C(=O)[O-])C1	ZINC000036624730	570566102	/nfs/dbraw/zinc/56/61/02/570566102.db2.gz	PYFUNXZZYABXFL-SECBINFHSA-N	-2	0	385.894	4.025	40	0		GIABRL
O=C([O-])c1cc(Cc2cc(C(=O)[O-])c(O)c3ccccc23)c2ccccc2c1O	ZINC000001617526	209334260	/nfs/dbraw/zinc/33/42/60/209334260.db2.gz	XACRYJAWPVFHLE-UHFFFAOYSA-N	-2	0	388.375	4.391	40	0		GIABRL
O=C([O-])CC(CC(=O)[O-])[C@@H](c1ccccc1)c1ccccc1Br	ZINC000001689991	209336898	/nfs/dbraw/zinc/33/68/98/209336898.db2.gz	VFCAYEIZXIDRCC-GOSISDBHSA-N	-2	0	377.234	4.147	40	0		GIABRL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c1	ZINC000013453959	210060917	/nfs/dbraw/zinc/06/09/17/210060917.db2.gz	SXQJYOFGDMEBOC-UHFFFAOYSA-N	-2	0	385.466	4.337	40	0		GIABRL
C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3Cl)c2C(=O)[O-])C1	ZINC000036624731	570566126	/nfs/dbraw/zinc/56/61/26/570566126.db2.gz	PYFUNXZZYABXFL-VIFPVBQESA-N	-2	0	385.894	4.025	40	0		GIABRL
CCc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])cc1	ZINC000408882180	529578164	/nfs/dbraw/zinc/57/81/64/529578164.db2.gz	NUVRXTZFCQSQMW-UHFFFAOYSA-N	-2	0	382.441	4.441	40	0		GIABRL
Cc1ccc(C)c(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])c1	ZINC000408885442	231125352	/nfs/dbraw/zinc/12/53/52/231125352.db2.gz	AAXMAEPCEHMWSC-UHFFFAOYSA-N	-2	0	382.441	4.496	40	0		GIABRL
Cc1cc2nc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3[S-])[nH]c2cc1C	ZINC000031870832	570507048	/nfs/dbraw/zinc/50/70/48/570507048.db2.gz	BBORRUJYQJABHV-UHFFFAOYSA-N	-2	0	381.910	4.231	40	0		GIABRL
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Cl)c1O	ZINC000050547875	570915628	/nfs/dbraw/zinc/91/56/28/570915628.db2.gz	DVRXDTWHSCSZSF-ZSOIEALJSA-N	-2	0	376.821	4.148	40	0		GIABRL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1	ZINC000032601677	820976721	/nfs/dbraw/zinc/97/67/21/820976721.db2.gz	DVHQCQZTBAPVGY-UHFFFAOYSA-N	-2	0	380.636	4.146	40	0		GIABRL
CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC2	ZINC000011616685	221118587	/nfs/dbraw/zinc/11/85/87/221118587.db2.gz	IWCWQNVIUXZOMJ-IHPCNDPISA-N	-2	0	380.506	4.152	40	0		GIABRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1	ZINC000096305771	570228510	/nfs/dbraw/zinc/22/85/10/570228510.db2.gz	VPAWDUXLOZWSBW-UHFFFAOYSA-N	-2	0	380.636	4.146	40	0		GIABRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000016607673	221366465	/nfs/dbraw/zinc/36/64/65/221366465.db2.gz	YDMZXGPBPJQQPH-BGYRXZFFSA-N	-2	0	388.471	4.090	40	0		GIABRL