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@@H]1[C@@H](O)[C@H]2c3cc4c(cc3C[N@@H+]3CC[C@@](O)([C@H]23)[C@H]1O)OCO4	ZINC000073169475	191287787	/nfs/dbraw/zinc/28/77/87/191287787.db2.gz	OQLSHVLYNQPINY-YUDUXTHKSA-N	1	1	321.329	-1.086	1	0		DAAFMO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050026900	574414901	/nfs/dbraw/zinc/41/49/01/574414901.db2.gz	BNODVYXZAAXSHW-DTWKUNHWSA-N	1	1	311.346	-1.888	1	0	endogenous,in-vitro	DAAFMO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027481	574415031	/nfs/dbraw/zinc/41/50/31/574415031.db2.gz	BNODVYXZAAXSHW-RKDXNWHRSA-N	1	1	311.346	-1.888	1	0	endogenous,in-man	DAAFMO
C[C@H]1O[C@@H](n2cc(C(=[NH2+])NO)c3c2nc[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000039026400	183014468	/nfs/dbraw/zinc/01/44/68/183014468.db2.gz	NETNJKPYUWVKEN-BFAGERDPSA-N	1	1	309.282	-1.332	1	0		DAAFMO
NC(=O)c1c(CN[C@@H](c2cnc[nH]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394154	183061085	/nfs/dbraw/zinc/06/10/85/183061085.db2.gz	LJHQLIXTGDQEIG-LLVKDONJSA-N	1	1	321.341	-1.040	1	0		DAAFMO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027451	571767587	/nfs/dbraw/zinc/76/75/87/571767587.db2.gz	BNODVYXZAAXSHW-BDAKNGLRSA-N	1	1	311.346	-1.888	1	0	endogenous,in-man	DAAFMO
NC(=O)c1c(CN[C@H](c2cnc[nH]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394156	183061033	/nfs/dbraw/zinc/06/10/33/183061033.db2.gz	LJHQLIXTGDQEIG-NSHDSACASA-N	1	1	321.341	-1.040	1	0		DAAFMO
COC(=N)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH+]c(N)c12	ZINC000049050906	183706625	/nfs/dbraw/zinc/70/66/25/183706625.db2.gz	OPRYQXPPNHIJMC-LKBRSXORSA-N	1	1	324.297	-2.008	1	0		DAAFMO
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(N)=O	ZINC000058591241	184124295	/nfs/dbraw/zinc/12/42/95/184124295.db2.gz	XNPRAVWGHMYKCS-QWRGUYRKSA-N	1	1	324.385	-1.588	1	0		DAAFMO