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(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc2n[nH]nc21	ZINC000188673049	660356893	/nfs/dbraw/zinc/35/68/93/660356893.db2.gz	HKHRTKGAGNVLEK-UHFFFAOYSA-N	-2	2	323.139	3.223	20	0		DGADLL
O=C([O-])c1cc(C(=O)[O-])cc(-c2cc([S-])cc(S)c2)c1	ZINC001242163164	1101953876	/nfs/dbraw/zinc/95/38/76/1101953876.db2.gz	POZOJIVEANYYIN-UHFFFAOYSA-N	-3	2	306.364	3.327	20	0		DGADLL
CC[C@H](C)CON=C(O)N=c1nc(-c2ccccc2)[nH]s1	ZINC000291979529	433418991	/nfs/dbraw/zinc/41/89/91/433418991.db2.gz	YPCHBGSPNUSQSW-JTQLQIEISA-N	-2	2	306.391	3.304	20	0		DGADLL
CC[C@@H](C)CON=C(O)N=c1nc(-c2ccccc2)[nH]s1	ZINC000291979531	433417437	/nfs/dbraw/zinc/41/74/37/433417437.db2.gz	YPCHBGSPNUSQSW-SNVBAGLBSA-N	-2	2	306.391	3.304	20	0		DGADLL
Cc1noc(C2CC2)c1NC(=O)c1cc(F)c(F)c(O)c1F	ZINC000344414749	254268416	/nfs/dbraw/zinc/26/84/16/254268416.db2.gz	TXLUNKWOKRYDAX-UHFFFAOYSA-N	-2	2	312.247	3.236	20	0		DGADLL
O=C(Nc1cc(Cl)c(O)cc1F)c1cc(-c2ccco2)n[nH]1	ZINC000345596958	254379088	/nfs/dbraw/zinc/37/90/88/254379088.db2.gz	YKUCOOXCJLCLJU-UHFFFAOYSA-N	-2	2	321.695	3.420	20	0		DGADLL