smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1	ZINC000014949370	553522165	/nfs/dbraw/zinc/52/21/65/553522165.db2.gz	ZKIQFLSGMMYCGS-SANMLTNESA-N	2	2	504.581	3.458	10	0	in-vitro	KGAELP
O=C(CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000020138061	553593811	/nfs/dbraw/zinc/59/38/11/553593811.db2.gz	VYQQMGYZALIEPF-JOENYRRRSA-N	2	2	517.718	3.242	10	0		KGAELP
O=C(CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000020138061	553593810	/nfs/dbraw/zinc/59/38/10/553593810.db2.gz	VYQQMGYZALIEPF-JOENYRRRSA-N	2	2	517.718	3.242	10	0		KGAELP
COc1ccccc1N1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCC[C@H]2CO)CC1	ZINC000102709775	555016108	/nfs/dbraw/zinc/01/61/08/555016108.db2.gz	CZIHJXCCUVBUES-HZFUHODCSA-N	2	2	520.718	3.471	10	0		KGAELP
COc1ccccc1N1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCC[C@H]2CO)CC1	ZINC000102709775	555016104	/nfs/dbraw/zinc/01/61/04/555016104.db2.gz	CZIHJXCCUVBUES-HZFUHODCSA-N	2	2	520.718	3.471	10	0		KGAELP
Cc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)CN4CC[NH+](Cc5ccc(C)cc5)CC4)cc3)CC2)cc1	ZINC000103610607	555455320	/nfs/dbraw/zinc/45/53/20/555455320.db2.gz	SDDWMJPFIYIIGU-KKLWWLSJSA-N	2	2	602.820	3.418	10	0		KGAELP
Cc1ccc(C[NH+]2CCN(C[C@H](O)COc3ccc(OC[C@@H](O)CN4CC[NH+](Cc5ccc(C)cc5)CC4)cc3)CC2)cc1	ZINC000103610614	555455266	/nfs/dbraw/zinc/45/52/66/555455266.db2.gz	SDDWMJPFIYIIGU-HEVIKAOCSA-N	2	2	602.820	3.418	10	0		KGAELP