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@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000026643655	553820075	/nfs/dbraw/zinc/82/00/75/553820075.db2.gz	ACSMGYQPHZVZKZ-BWJWTDLKSA-N	-1	3	548.594	-4.028	10	0		KAAEHM
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000060181793	554502387	/nfs/dbraw/zinc/50/23/87/554502387.db2.gz	QMJRMHGWIHXNKG-XFEXQEHJSA-N	-1	3	536.586	-2.130	10	0		KAAEHM
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(N)=O	ZINC000096271156	562793738	/nfs/dbraw/zinc/79/37/38/562793738.db2.gz	UYMRFLAHRMRHGI-WTWMNNMUSA-N	-1	3	748.879	-2.059	10	0		KAAEHM
CNCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000100686685	554449588	/nfs/dbraw/zinc/44/95/88/554449588.db2.gz	KYOPEKNSPWYXTK-KBUPBQIOSA-N	-1	3	601.618	-5.418	10	0		KAAEHM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000301320099	572143557	/nfs/dbraw/zinc/14/35/57/572143557.db2.gz	NDCPUBLUTXDIGW-VWVZUHNFSA-N	-1	3	626.664	-3.347	10	0		KAAEHM