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(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)cc1)NO	ZINC000013528201	581101837	/nfs/dbraw/zinc/10/18/37/581101837.db2.gz	OXQSJNYJHWCSDM-CCEZHUSRSA-N	1	1	417.553	5.064	1	30		HKEFMO
N#Cc1cn(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)cc1-c1cccc2ccccc21	ZINC000014955829	581101043	/nfs/dbraw/zinc/10/10/43/581101043.db2.gz	CEZJCWXBAUAEHP-UHFFFAOYSA-N	1	1	413.484	5.345	1	30		HKEFMO
C#CC1=CC[C@H]([N@@H+](CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000040420921	581093313	/nfs/dbraw/zinc/09/33/13/581093313.db2.gz	PWZPBZQTTHOCIS-MHZLTWQESA-N	1	1	414.593	5.688	1	30	in-vitro	HKEFMO
C#CC1=CC[C@@H]([N@@H+](CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000040420923	581093364	/nfs/dbraw/zinc/09/33/64/581093364.db2.gz	PWZPBZQTTHOCIS-HHHXNRCGSA-N	1	1	414.593	5.688	1	30	in-vitro	HKEFMO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1CCC[C@H]([NH2+]C)C1	ZINC000085544946	291282319	/nfs/dbraw/zinc/28/23/19/291282319.db2.gz	UXTJCEHLGPWUQL-ANASRUAZSA-N	1	1	412.662	5.096	1	30	biogenic,in-vitro	HKEFMO
CC1=C2C[C@@]34C[N@@H+]5C[C@@]56CCC[C@H]6CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1	ZINC000085548113	291289713	/nfs/dbraw/zinc/28/97/13/291289713.db2.gz	DBNBNXKAZUWOBU-ZPGOTANMSA-N	1	1	403.654	6.731	1	30	biogenic,in-vitro	HKEFMO
O=C1C=CC(=[NH+]Nc2cccc(Cl)c2)C=C1C=Nc1ccc(N2CCOCC2)cc1	ZINC000102560689	526341473	/nfs/dbraw/zinc/34/14/73/526341473.db2.gz	UAGOWLXKRNEDAM-IIXLPLMRSA-N	1	1	420.900	6.048	1	30		HKEFMO