smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(CN2CCOCC2)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-]	ZINC000218288641	568477662	/nfs/dbraw/zinc/47/76/62/568477662.db2.gz	AYUQYZHRZHNXFH-UHFFFAOYSA-N	-1	3	415.372	0.804	50	70		HCIAHM
O=C(c1ccco1)N1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2[O-])CC1	ZINC000218300895	568478092	/nfs/dbraw/zinc/47/80/92/568478092.db2.gz	UZHQIWFEHSEBRH-UHFFFAOYSA-N	-1	3	403.435	0.729	50	70		HCIAHM
COC(=O)C[C@@H](c1cnn2cccnc12)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218345891	568929631	/nfs/dbraw/zinc/92/96/31/568929631.db2.gz	GUTWLBXZELCUDK-AWEZNQCLSA-N	-1	3	414.418	0.915	50	70		HCIAHM
COC(=O)C[C@H](c1cnn2cccnc12)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218345960	568929588	/nfs/dbraw/zinc/92/95/88/568929588.db2.gz	GUTWLBXZELCUDK-CQSZACIVSA-N	-1	3	414.418	0.915	50	70		HCIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000218360190	568479208	/nfs/dbraw/zinc/47/92/08/568479208.db2.gz	FHJZRZLYTZROPG-UHFFFAOYSA-N	-1	3	414.509	0.117	50	70		HCIAHM