smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1-c1ccccc1	ZINC000003962678	132269562	/nfs/dbraw/zinc/26/95/62/132269562.db2.gz	IJXRJXMYHWPNMW-FQEVSTJZSA-N	2	1	422.576	6.094	1	0		HKAFMP
C[C@@]12CCC[C@@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(N)[nH+]c5)CC5(CCCC5)C4)(C[C@@H]([NH3+])[C@@H]31)O2	ZINC000085543215	291295869	/nfs/dbraw/zinc/29/58/69/291295869.db2.gz	XVWCVNLEKPCASR-SLWIZVOASA-N	2	1	423.645	5.248	1	0	biogenic,in-vitro	HKAFMP
C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)[nH+]c4)C3)CC[C@@H]1[C@@H]([NH3+])C2	ZINC000085543277	291296847	/nfs/dbraw/zinc/29/68/47/291296847.db2.gz	GUPREHWSCHTEKF-PDYIAHLQSA-N	2	1	411.634	5.248	1	0	biogenic,in-vitro	HKAFMP
CC(C)CC[C@@H]1C[C@@H](Cc2ccc(N)[nH+]c2)C[C@@H]([C@]23CC[C@H]([C@H]([NH3+])C2)C(C)(C)O3)C1	ZINC000085543296	291288470	/nfs/dbraw/zinc/28/84/70/291288470.db2.gz	UTEGCQVUERHPEW-NLTVHONMSA-N	2	1	413.650	5.350	1	0	biogenic,in-vitro	HKAFMP