smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H](C[NH2+]CC(C)C)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489387	562968692	/nfs/dbraw/zinc/96/86/92/562968692.db2.gz	LXKCDTKIEABIOF-DLBZAZTESA-N	2	1	473.534	-0.516	1	0		JBAFMP
COC(=O)[C@H](C[NH2+]CC(C)C)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489388	562968711	/nfs/dbraw/zinc/96/87/11/562968711.db2.gz	LXKCDTKIEABIOF-IRXDYDNUSA-N	2	1	473.534	-0.516	1	0		JBAFMP
COC(=O)[C@@H](C[NH2+]CC(C)C)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489389	562968628	/nfs/dbraw/zinc/96/86/28/562968628.db2.gz	LXKCDTKIEABIOF-IAGOWNOFSA-N	2	1	473.534	-0.516	1	0		JBAFMP
COC(=O)[C@H](C[NH2+]CC(C)C)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489390	562968633	/nfs/dbraw/zinc/96/86/33/562968633.db2.gz	LXKCDTKIEABIOF-SJORKVTESA-N	2	1	473.534	-0.516	1	0		JBAFMP
C[NH+]1CCN(CC(=O)N2c3ccc(S(=O)(=O)NCC[NH3+])cc3C(=O)Nc3cccnc32)CC1	ZINC000022940128	563019638	/nfs/dbraw/zinc/01/96/38/563019638.db2.gz	AIOXTPIXYCASBM-UHFFFAOYSA-N	2	1	473.559	-0.204	1	0		JBAFMP
C(CC[N@H+]1CCCNCC[NH2+]CCCNCC1)C[NH+]1CCCNCC[NH2+]CCCNCC1	ZINC000029131280	563097134	/nfs/dbraw/zinc/09/71/34/563097134.db2.gz	GUZVGMUASHAETM-UHFFFAOYSA-N	4	1	454.752	-0.504	1	0		JBAFMP
C(CC[N@@H+]1CCCNCC[NH2+]CCCNCC1)C[NH+]1CCCNCC[NH2+]CCCNCC1	ZINC000029131280	563097132	/nfs/dbraw/zinc/09/71/32/563097132.db2.gz	GUZVGMUASHAETM-UHFFFAOYSA-N	4	1	454.752	-0.504	1	0		JBAFMP
C(CC[N@H+]1CCCNCC[NH2+]CCCNCC1)CN1CCC[NH2+]CCNCCC[NH2+]CC1	ZINC000029131280	563097131	/nfs/dbraw/zinc/09/71/31/563097131.db2.gz	GUZVGMUASHAETM-UHFFFAOYSA-N	4	1	454.752	-0.504	1	0		JBAFMP
CC[N@H+]1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@@]3(O)[C@H](O)[C@@H]1[C@]4([NH3+])C[C@@H]3OC)[C@@H](OC)C[C@H]2O	ZINC000095911862	560057610	/nfs/dbraw/zinc/05/76/10/560057610.db2.gz	ZWUFSCXXMINYCW-DCQLVONUSA-N	2	1	482.618	-0.792	1	0	biogenic,in-vitro	JBAFMP