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](NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028091324	561899947	/nfs/dbraw/zinc/89/99/47/561899947.db2.gz	OLVUHVRLKWPWOQ-QORCZRPOSA-N	2	0	724.780	-2.237	1	5		KABFRP
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000028824945	561970218	/nfs/dbraw/zinc/97/02/18/561970218.db2.gz	JADMDVDOSPTJRL-ROWCBPRQSA-N	2	0	735.844	-2.647	1	5		KABFRP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758246	/nfs/dbraw/zinc/75/82/46/562758246.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	4	0	773.896	-1.910	1	5		KABFRP
C[N+](C)(CCCC(=O)NCCCNC(=O)CCC[N+](C)(C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000095549393	717138825	/nfs/dbraw/zinc/13/88/25/717138825.db2.gz	NJHDGJKXHXPCBV-NBBSQPPISA-P	2	0	800.923	-2.595	1	5		KABFRP
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O	ZINC000169307175	562853763	/nfs/dbraw/zinc/85/37/63/562853763.db2.gz	QKXOKKQPDFRIGN-SJSXQSQASA-O	2	0	663.841	-1.824	1	5		KABFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])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	ZINC000169349506	562862589	/nfs/dbraw/zinc/86/25/89/562862589.db2.gz	OZEVBAXQHWJSPH-QEGGNFSNSA-N	2	0	836.693	-1.044	1	5		KABFRP
NC(=[NH2+])NCCC[C@@H]1NC(=O)c2cc([N+](=O)[O-])cc(I)c2NCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O	ZINC000008691289	561707995	/nfs/dbraw/zinc/70/79/95/561707995.db2.gz	FCNILUYBSGMEEF-ULQDDVLXSA-N	2	0	716.542	-1.515	3	5		KABFRP