smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccc([O-])cc2oc([O-])c1-c1ccc(Cl)cc1	ZINC000137062703	1118856228	/nfs/dbraw/zinc/85/62/28/1118856228.db2.gz	RTGSKPSHGFLOHD-UHFFFAOYSA-N	-2	0	288.686	3.525	40	0		CHABRL
CC1(C)c2cc(C(=O)[O-])cc(C(=O)[O-])c2C(C)(C)C1(C)C	ZINC000038228103	174137466	/nfs/dbraw/zinc/13/74/66/174137466.db2.gz	DPDKFKAXMBXWIB-UHFFFAOYSA-N	-2	0	290.359	3.678	40	0		CHABRL
Cc1c2[n-]c(=S)sc2cc2sc(=S)[n-]c21	ZINC000238518285	567937597	/nfs/dbraw/zinc/93/75/97/567937597.db2.gz	OWKSABATSCKPPW-UHFFFAOYSA-N	-2	0	270.429	3.792	40	0		CHABRL
CC(C)(C)c1cc(C(=O)[O-])c(C(C)(C)C)cc1C(=O)[O-]	ZINC000038285784	174138594	/nfs/dbraw/zinc/13/85/94/174138594.db2.gz	KLGUFGRWCBLGFA-UHFFFAOYSA-N	-2	0	278.348	3.678	40	0		CHABRL
O=C([O-])c1cc2ccccc2c(-c2ccccc2)c1C(=O)[O-]	ZINC000020530257	171240563	/nfs/dbraw/zinc/24/05/63/171240563.db2.gz	ONFHKXIQYYOBTO-UHFFFAOYSA-N	-2	0	292.290	3.903	40	0		CHABRL
O=C([O-])C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1	ZINC000001597033	566994268	/nfs/dbraw/zinc/99/42/68/566994268.db2.gz	CDAXWFKYGWELRY-IYBDPMFKSA-N	-2	0	298.338	3.503	40	0		CHABRL
O=C([O-])[C@@H](CC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1	ZINC000001688202	567841387	/nfs/dbraw/zinc/84/13/87/567841387.db2.gz	ZEUFEFSWMUFREP-HOTGVXAUSA-N	-2	0	298.338	3.503	40	0		CHABRL
O=C([O-])[C@H](CC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1	ZINC000001688203	567841636	/nfs/dbraw/zinc/84/16/36/567841636.db2.gz	ZEUFEFSWMUFREP-HZPDHXFCSA-N	-2	0	298.338	3.503	40	0		CHABRL
O=C(C=C([O-])c1cccc(Cl)c1)c1ccccc1O	ZINC000113704353	567926266	/nfs/dbraw/zinc/92/62/66/567926266.db2.gz	LUGYUAGYSHVYDB-UHFFFAOYSA-N	-2	0	274.703	3.501	40	0		CHABRL
CSC(=S)[N-]c1ccc([N-]C(=S)SC)cc1	ZINC000003622489	570279239	/nfs/dbraw/zinc/27/92/39/570279239.db2.gz	LCYNNKKLPFFRDE-UHFFFAOYSA-N	-2	0	288.488	3.806	40	0		CHABRL
O=C([O-])c1cc2sc3cc(C(=O)[O-])sc3c2s1	ZINC000149376207	1120207141	/nfs/dbraw/zinc/20/71/41/1120207141.db2.gz	XQMFYBSHBCPMBJ-UHFFFAOYSA-N	-2	0	284.339	3.574	40	0		CHABRL
O=C([O-])C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])c1ccccc1	ZINC000001597034	566993754	/nfs/dbraw/zinc/99/37/54/566993754.db2.gz	CDAXWFKYGWELRY-HOTGVXAUSA-N	-2	0	298.338	3.503	40	0		CHABRL
O=C([O-])C[C@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1	ZINC000001597035	566993294	/nfs/dbraw/zinc/99/32/94/566993294.db2.gz	CDAXWFKYGWELRY-HZPDHXFCSA-N	-2	0	298.338	3.503	40	0		CHABRL
O=C([O-])/C=C/c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000034530182	567888260	/nfs/dbraw/zinc/88/82/60/567888260.db2.gz	UQHRHUDMDDNWFJ-YDWXAUTNSA-N	-2	0	294.306	3.549	40	0		CHABRL
O=C([O-])[C@H](CC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1	ZINC000001688201	567841465	/nfs/dbraw/zinc/84/14/65/567841465.db2.gz	ZEUFEFSWMUFREP-IYBDPMFKSA-N	-2	0	298.338	3.503	40	0		CHABRL
CCN(CC)c1cc2sc(C(=O)[O-])c(Cl)c2c(O)c1	ZINC000228924491	1128180667	/nfs/dbraw/zinc/18/06/67/1128180667.db2.gz	UKQHPWAZXPHRNI-UHFFFAOYSA-N	-2	0	299.779	3.805	40	0		CHABRL