smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCNC(N)=[NH2+])n1	ZINC000040428974	205065339	/nfs/dbraw/zinc/06/53/39/205065339.db2.gz	UPVJNOPEERCGMD-UHFFFAOYSA-N	1	3	397.524	0.896	1	0		GCAFHO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@@H](N)CCCC[NH3+]	ZINC000013451227	210060994	/nfs/dbraw/zinc/06/09/94/210060994.db2.gz	CGMUBURMPMVFHE-USXIJHARSA-N	1	3	376.457	0.185	1	0		GCAFHO
CN1C(=O)[C@@H]2[C@H](N=C(N3CCC[C@H](C[NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000036350330	205013259	/nfs/dbraw/zinc/01/32/59/205013259.db2.gz	GFJYYKSONZQLNI-IXDOHACOSA-N	1	3	384.484	0.747	1	0		GCAFHO
C[C@H](N)C(=O)Nc1cccc(-c2nn3c(nc(N4CC[NH2+]CC4)cc3=O)s2)c1	ZINC000064490905	136156942	/nfs/dbraw/zinc/15/69/42/136156942.db2.gz	DIMWJXUQWLWBOJ-NSHDSACASA-N	1	3	399.480	0.513	1	0		GCAFHO
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H](N)CCCC[NH3+]	ZINC000013451231	206975161	/nfs/dbraw/zinc/97/51/61/206975161.db2.gz	CGMUBURMPMVFHE-UAGQMJEPSA-N	1	3	376.457	0.185	1	0		GCAFHO
C[C@@H](N)C(=O)Nc1cccc(-c2nn3c(nc(N4CC[NH2+]CC4)cc3=O)s2)c1	ZINC000064502311	136156926	/nfs/dbraw/zinc/15/69/26/136156926.db2.gz	DIMWJXUQWLWBOJ-LLVKDONJSA-N	1	3	399.480	0.513	1	0		GCAFHO
CN1C(=O)[C@H]2[C@@H](N=C(N3CCC[C@@H](C[NH3+])C3)N2Cc2ccccc2)N(C)C1=O	ZINC000058678616	222056284	/nfs/dbraw/zinc/05/62/84/222056284.db2.gz	GFJYYKSONZQLNI-BBWFWOEESA-N	1	3	384.484	0.747	1	0		GCAFHO