smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H]1C(O)[C@H]([NH2+]C)[C@@H](O)C(O)[C@H]1O	ZINC000005996518	560204186	/nfs/dbraw/zinc/20/41/86/560204186.db2.gz	QRJMLIPXTTYRMQ-YWVWVNHFSA-N	2	2	206.242	-3.380	1	0	in-vitro	BAAFLP
O[C@H]1C[NH2+][C@@H](CNCn2cc[nH+]c2)[C@@H]1O	ZINC000026501036	183245573	/nfs/dbraw/zinc/24/55/73/183245573.db2.gz	AXLGCGSOTAFBLX-CIUDSAMLSA-N	2	2	212.253	-1.876	1	0		BAAFLP
O[C@H]1C[NH2+][C@H](CNCn2cc[nH+]c2)[C@@H]1O	ZINC000026501041	183244898	/nfs/dbraw/zinc/24/48/98/183244898.db2.gz	AXLGCGSOTAFBLX-VGMNWLOBSA-N	2	2	212.253	-1.876	1	0		BAAFLP
NC(=[NH2+])NCC[N@H+]1C[C@H](O)[C@H](O)[C@H]1CO	ZINC000040957602	181188867	/nfs/dbraw/zinc/18/88/67/181188867.db2.gz	XQSUAMWKKQZJOK-DSYKOEDSSA-N	2	2	218.257	-3.132	1	0		BAAFLP
NC(=[NH2+])NCC[N@@H+]1C[C@H](O)[C@H](O)[C@H]1CO	ZINC000040957602	181188864	/nfs/dbraw/zinc/18/88/64/181188864.db2.gz	XQSUAMWKKQZJOK-DSYKOEDSSA-N	2	2	218.257	-3.132	1	0		BAAFLP
CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH3+]	ZINC000066104566	173304722	/nfs/dbraw/zinc/30/47/22/173304722.db2.gz	DPGRPMORSSCOTI-QMMMGPOBSA-N	2	2	239.279	-1.468	1	0		BAAFLP
CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[NH3+]	ZINC000066104566	173304721	/nfs/dbraw/zinc/30/47/21/173304721.db2.gz	DPGRPMORSSCOTI-QMMMGPOBSA-N	2	2	239.279	-1.468	1	0		BAAFLP