smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)CNC1=O	ZINC000026836522	561824564	/nfs/dbraw/zinc/82/45/64/561824564.db2.gz	HAYJKWGUHSCVJT-HBMCJLEFSA-N	1	0	538.609	-1.393	1	10		KACFRO
NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)OC[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000095539424	562755016	/nfs/dbraw/zinc/75/50/16/562755016.db2.gz	YEDLPYZUUMOKKH-ZRNYENFQSA-N	1	0	776.761	-3.478	1	10		KACFRO
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)OCCCOC(=O)C=Cc2ccc(O)c(O)c2)=C[C@@H]1NC(N)=[NH2+]	ZINC000095562387	562763665	/nfs/dbraw/zinc/76/36/65/562763665.db2.gz	HTWQHGKGGXUBSB-JVUZCBKOSA-N	1	0	552.537	-2.059	1	10		KACFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH2+]CCOCCN2C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)[C@H](O)[C@H](C)O1	ZINC000095613789	562786519	/nfs/dbraw/zinc/78/65/19/562786519.db2.gz	UWBJSYCFDXTRHH-VHWWTIJWSA-N	1	0	831.850	-1.079	1	10		KACFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000096904451	562798369	/nfs/dbraw/zinc/79/83/69/562798369.db2.gz	KVKZSGGDIDKBSK-GSDHBNRESA-N	1	0	775.824	-1.850	1	10		KACFRO
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-]	ZINC000096904498	562798387	/nfs/dbraw/zinc/79/83/87/562798387.db2.gz	NFEXJLAVSLPAIU-GSDHBNRESA-N	1	0	775.824	-1.850	1	10		KACFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH2+]CCOCCN2C(=O)C[C@H](SC[C@H]([NH3+])C(=O)[O-])C2=O)[C@H](O)[C@H](C)O1	ZINC000150589056	562846054	/nfs/dbraw/zinc/84/60/54/562846054.db2.gz	UWBJSYCFDXTRHH-FPKPIXQMSA-N	1	0	831.850	-1.079	1	10		KACFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CN2C(=O)C[C@@H](SCC[NH3+])C2=O)[C@H](O)[C@H](C)O1	ZINC000473109502	562898483	/nfs/dbraw/zinc/89/84/83/562898483.db2.gz	SLNRNHGSSKYOPA-PPVHTLLQSA-N	1	0	757.771	-1.022	1	10		KACFRO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CN2C(=O)C[C@H](SCC[NH3+])C2=O)[C@H](O)[C@H](C)O1	ZINC000473109503	562898474	/nfs/dbraw/zinc/89/84/74/562898474.db2.gz	SLNRNHGSSKYOPA-WACCGJNPSA-N	1	0	757.771	-1.022	1	10		KACFRO