smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013522386	560218369	/nfs/dbraw/zinc/21/83/69/560218369.db2.gz	UBQZUBPODLPCFG-IECJSVMTSA-O	1	0	413.480	-1.532	1	30	in-vitro,metabolite	HAEFRO
CC[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013522390	560218381	/nfs/dbraw/zinc/21/83/81/560218381.db2.gz	UBQZUBPODLPCFG-XIFWJBDBSA-O	1	0	413.480	-1.532	1	30	in-vitro,metabolite	HAEFRO
NC(=[NH2+])NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)c21	ZINC000085569285	291159990	/nfs/dbraw/zinc/15/99/90/291159990.db2.gz	QLQKXXKJVZXQIZ-BORJPKMPSA-N	1	0	407.403	-2.133	1	30	biogenic,in-vitro	HAEFRO