smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049833180	562687580	/nfs/dbraw/zinc/68/75/80/562687580.db2.gz	KCIDBIZAMUCOIJ-FKWFRFQNSA-N	2	2	730.787	-0.465	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049833180	562687579	/nfs/dbraw/zinc/68/75/79/562687579.db2.gz	KCIDBIZAMUCOIJ-FKWFRFQNSA-N	2	2	730.787	-0.465	1	5		KBBFLP
[NH3+]CCC[NH2+]CCC[NH2+]CCCn1c(=O)c2ccc3c(=O)n(CCC[NH2+]CCC[NH2+]CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000084669219	562747919	/nfs/dbraw/zinc/74/79/19/562747919.db2.gz	VERMROMATAIGFV-UHFFFAOYSA-N	6	2	608.788	-0.318	1	5		KBBFLP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCC[NH+]5CCOCC5)cc(c1=O)c2c34	ZINC000096937359	562804149	/nfs/dbraw/zinc/80/41/49/562804149.db2.gz	RJUXDYPCWHAEBB-UHFFFAOYSA-N	3	2	580.686	-0.051	1	5		KBBFLP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCC[NH+]5CCOCC5)cc(c1=O)c2c34	ZINC000096937363	562804145	/nfs/dbraw/zinc/80/41/45/562804145.db2.gz	ZWSZERVULBKKHX-UHFFFAOYSA-N	3	2	624.739	-0.034	1	5		KBBFLP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCOCC[NH+]5CCOCC5)cc(c1=O)c2c34	ZINC000096937367	562804156	/nfs/dbraw/zinc/80/41/56/562804156.db2.gz	QLENOJACSSJYAY-UHFFFAOYSA-N	3	2	668.792	-0.017	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169348387	562862182	/nfs/dbraw/zinc/86/21/82/562862182.db2.gz	OTCZKXIVTRWIJL-NFGXINMFSA-N	2	2	691.750	-0.947	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169348387	562862181	/nfs/dbraw/zinc/86/21/81/562862181.db2.gz	OTCZKXIVTRWIJL-NFGXINMFSA-N	2	2	691.750	-0.947	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349499	562862617	/nfs/dbraw/zinc/86/26/17/562862617.db2.gz	BTZCGWWDLJTNOS-YAOOYPAMSA-N	2	2	817.646	-0.342	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349499	562862616	/nfs/dbraw/zinc/86/26/16/562862616.db2.gz	BTZCGWWDLJTNOS-YAOOYPAMSA-N	2	2	817.646	-0.342	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349540	562862640	/nfs/dbraw/zinc/86/26/40/562862640.db2.gz	RLQIWZIEXNXVAG-YAOOYPAMSA-N	2	2	726.195	-0.293	1	5		KBBFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349540	562862639	/nfs/dbraw/zinc/86/26/39/562862639.db2.gz	RLQIWZIEXNXVAG-YAOOYPAMSA-N	2	2	726.195	-0.293	1	5		KBBFLP