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-])[C@H]1CCN(Cc2cccc(Cl)c2[O-])c2ccccc21	ZINC001606016039	973109384	/nfs/dbraw/zinc/10/93/84/973109384.db2.gz	QVCABCSHTNGQKQ-ZDUSSCGKSA-N	-2	1	317.772	3.624	20	10		DHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(Cl)s1	ZINC000085204663	1020295725	/nfs/dbraw/zinc/29/57/25/1020295725.db2.gz	ZVLYOHHVGIQCMR-UHFFFAOYSA-N	-2	1	324.210	3.561	20	10		DHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc2ccccc2o1	ZINC000776748856	1022499336	/nfs/dbraw/zinc/49/93/36/1022499336.db2.gz	MABTXHJFPBIBII-UHFFFAOYSA-N	-2	1	323.757	3.593	20	10		DHCDML
O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2[O-])c2ccccc21	ZINC001606016038	973109765	/nfs/dbraw/zinc/10/97/65/973109765.db2.gz	QVCABCSHTNGQKQ-CYBMUJFWSA-N	-2	1	317.772	3.624	20	10		DHCDML
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)sc1C	ZINC000776748751	1022497502	/nfs/dbraw/zinc/49/75/02/1022497502.db2.gz	FOLBIESVHIXUBD-UHFFFAOYSA-N	-2	1	317.819	3.525	20	10		DHCDML
Cc1ccc(C(=O)[O-])cc1NCc1c([O-])ccc(Cl)c1F	ZINC000789897169	1024187074	/nfs/dbraw/zinc/18/70/74/1024187074.db2.gz	GPHUUSNHRNRYMQ-UHFFFAOYSA-N	-2	1	309.724	3.803	20	10		DHCDML
Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1C(=O)[O-]	ZINC000789901696	1024188538	/nfs/dbraw/zinc/18/85/38/1024188538.db2.gz	CSSMUGBKKYVGIU-UHFFFAOYSA-N	-2	1	309.724	3.803	20	10		DHCDML
COCc1cc(NCc2cccc(Cl)c2[O-])cc(C(=O)[O-])c1	ZINC001599289720	997043233	/nfs/dbraw/zinc/04/32/33/997043233.db2.gz	LYTMBSPOHQLOEF-UHFFFAOYSA-N	-2	1	321.760	3.502	20	10		DHCDML
Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1C(=O)[O-]	ZINC000789898453	1024186484	/nfs/dbraw/zinc/18/64/84/1024186484.db2.gz	VCGFTDORTMUXTO-UHFFFAOYSA-N	-2	1	309.724	3.803	20	10		DHCDML
CN(C(=O)[O-])c1ccc(NCc2cccc(Cl)c2[O-])cc1	ZINC000833686127	605251029	/nfs/dbraw/zinc/25/10/29/605251029.db2.gz	YHZQBVNFPIODKX-UHFFFAOYSA-N	-2	1	306.749	3.772	20	10		DHCDML