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](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039829070	208214581	/nfs/dbraw/zinc/21/45/81/208214581.db2.gz	VBFJESQBIWCWRL-DCAQKATOSA-N	1	1	373.458	-2.220	1	0		FAAFMO
Cc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CN(C)C/C=C\C[NH3+])[C@@H](O)[C@H]1O	ZINC000040395243	208250176	/nfs/dbraw/zinc/25/01/76/208250176.db2.gz	XMINGHDCKLSIIL-LNNUBQDUSA-N	1	1	363.422	-1.217	1	0		FAAFMO
Cc1nc2c(ncn2[C@@H]2O[C@H](CN(C)C/C=C\C[NH3+])[C@@H](O)[C@H]2O)c(N)n1	ZINC000040877645	208272124	/nfs/dbraw/zinc/27/21/24/208272124.db2.gz	MTDBNJKMVASAKC-LNNUBQDUSA-N	1	1	363.422	-1.217	1	0		FAAFMO
CCOC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1=O	ZINC000049088226	205169469	/nfs/dbraw/zinc/16/94/69/205169469.db2.gz	GRXYUGGSZNLVFT-QWRGUYRKSA-N	1	1	351.363	-1.524	1	0		FAAFMO
CS(=O)(=O)N1CCN(C(=O)[C@H](N)Cc2cccc(C(N)=[NH2+])c2)CC1	ZINC000053214514	221043957	/nfs/dbraw/zinc/04/39/57/221043957.db2.gz	RXIWFKTYURFNOC-CYBMUJFWSA-N	1	1	353.448	-1.056	1	0		FAAFMO
CN(C)CCC[NH2+]CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO	ZINC000169350463	206253083	/nfs/dbraw/zinc/25/30/83/206253083.db2.gz	KMBGRPXFNKLDLF-HNNXBMFYSA-N	1	1	360.499	-1.080	1	0		FAAFMO