smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(O)c1O)[C@@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@](C)(O1)C2=O	ZINC000001493823	560180856	/nfs/dbraw/zinc/18/08/56/560180856.db2.gz	LNYIJBSSELCSKA-PMACEKPBSA-N	0	0	404.371	2.006	1	10	in-vitro	HECFRN
COc1cc(C=O)c2c(c1[O-])O[C@@]1(C)O[C@]2(C)C(=O)c2cc(OC)c(O)c(O)c21	ZINC000000590539	560178333	/nfs/dbraw/zinc/17/83/33/560178333.db2.gz	PECRJLBPKXQZDC-PMACEKPBSA-N	0	0	402.355	2.327	1	10	in-vitro	HECFRN
C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])-c2cnccc2C(=O)c31	ZINC000073195792	717134229	/nfs/dbraw/zinc/13/42/29/717134229.db2.gz	MWQOFGXGZQZDTC-UHFFFAOYSA-N	0	0	410.478	2.203	1	10		HECFRN
C[NH2+]COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC)c2)ccc1O	ZINC000085625579	291205671	/nfs/dbraw/zinc/20/56/71/291205671.db2.gz	NROYBVVPOXQXNS-QGZVFWFLSA-N	0	0	419.474	2.253	1	10	biogenic,in-vitro	HECFRN
COc1cc2c(c(O)c1O)[C@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@@](C)(O1)C2=O	ZINC000003933353	560191538	/nfs/dbraw/zinc/19/15/38/560191538.db2.gz	LNYIJBSSELCSKA-WOJBJXKFSA-N	0	0	404.371	2.006	1	10	in-vitro	HECFRN