smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000097972797	553967543	/nfs/dbraw/zinc/96/75/43/553967543.db2.gz	GGAZISNJIGFPHS-LROMGURASA-N	3	2	727.872	-1.881	10	0		KAAELP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000097972797	553967539	/nfs/dbraw/zinc/96/75/39/553967539.db2.gz	GGAZISNJIGFPHS-LROMGURASA-N	3	2	727.872	-1.881	10	0		KAAELP
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](C2CC[NH2+]CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976358	553968974	/nfs/dbraw/zinc/96/89/74/553968974.db2.gz	UCKZXJUOCANNNG-YTXRLFPLSA-N	2	2	522.603	-3.634	10	0		KAAELP
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CC[NH2+]CC3)N1)[C@@H](O)[C@H]2O	ZINC000097976427	553969940	/nfs/dbraw/zinc/96/99/40/553969940.db2.gz	RONZZDZVHVGTCQ-IGCWHWMGSA-N	2	2	638.719	-2.653	10	0		KAAELP
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3C3CC[NH2+]CC3)N1)[C@@H](O)[C@H]2O	ZINC000097976427	553969938	/nfs/dbraw/zinc/96/99/38/553969938.db2.gz	RONZZDZVHVGTCQ-IGCWHWMGSA-N	2	2	638.719	-2.653	10	0		KAAELP
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](C1CC[NH+](C)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976623	553971821	/nfs/dbraw/zinc/97/18/21/553971821.db2.gz	ZCPQIEJLYSEGNU-VICWBLINSA-N	2	2	553.657	-2.765	10	0		KAAELP
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](C1CC[NH+](C)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976623	553971818	/nfs/dbraw/zinc/97/18/18/553971818.db2.gz	ZCPQIEJLYSEGNU-VICWBLINSA-N	2	2	553.657	-2.765	10	0		KAAELP