smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027102062	561838948	/nfs/dbraw/zinc/83/89/48/561838948.db2.gz	HFXSJXXVVKITFQ-RABCQHRBSA-N	2	3	675.858	-3.897	1	30		KAEFHP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C[NH3+])cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414070	561856835	/nfs/dbraw/zinc/85/68/35/561856835.db2.gz	NQSMGCWXCLKVOF-WIGBTLJFSA-N	2	3	646.838	-1.395	1	30		KAEFHP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414766	561856925	/nfs/dbraw/zinc/85/69/25/561856925.db2.gz	FFUWWYLBSBQXMR-RSYUGDCRSA-N	2	3	678.815	-2.707	1	30		KAEFHP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027414772	561856976	/nfs/dbraw/zinc/85/69/76/561856976.db2.gz	CLVBPYKEZCTURW-RSYUGDCRSA-N	2	3	678.815	-2.707	1	30		KAEFHP
CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049778231	562681111	/nfs/dbraw/zinc/68/11/11/562681111.db2.gz	SUNPDQJDGHFTAE-UIGMUVSQSA-N	2	3	728.900	-2.173	1	30		KAEFHP
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095609754	562783970	/nfs/dbraw/zinc/78/39/70/562783970.db2.gz	PKLBEAYMSMTYAY-FWEHEUNISA-N	2	3	795.947	-1.195	1	30		KAEFHP
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000135798005	562831062	/nfs/dbraw/zinc/83/10/62/562831062.db2.gz	UTSSYMGSFWYKAC-XSLAGTTESA-N	2	3	571.728	-2.865	1	30		KAEFHP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc(C[NH3+])nn3)CC2)n1	ZINC000066139134	562713428	/nfs/dbraw/zinc/71/34/28/562713428.db2.gz	JMLCXIRWSRSKAW-VWLOTQADSA-N	2	3	644.782	-1.128	3	30		KAEFHP