smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(NC(Nc2c(C)cc(C)cc2C)=[NH+]CC[NH2+]Cc2ccccc2)c(C)c1	ZINC000003428914	569450722	/nfs/dbraw/zinc/45/07/22/569450722.db2.gz	BXPCQMGPPJSJEJ-UHFFFAOYSA-N	2	1	428.624	6.016	50	30		IKEAMP
COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000009070957	562966830	/nfs/dbraw/zinc/96/68/30/562966830.db2.gz	RRSOUPVPFREUEZ-IWHLBADBSA-N	2	1	449.639	5.108	50	30		IKEAMP
COc1ccc(CN(CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000009070952	562966847	/nfs/dbraw/zinc/96/68/47/562966847.db2.gz	RRSOUPVPFREUEZ-MRJKTFCFSA-N	2	1	449.639	5.108	50	30		IKEAMP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019805798	569329826	/nfs/dbraw/zinc/32/98/26/569329826.db2.gz	NFRJDAXAKZIQAJ-BYNJWEBRSA-N	2	1	426.608	5.274	50	30	in-vitro	IKEAMP