smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N1	ZINC000100163189	372898668	/nfs/dbraw/zinc/89/86/68/372898668.db2.gz	NVCGRZZPNIJZSK-UHFFFAOYSA-N	1	2	267.289	-2.269	50	10		CACALO
O=C1NC(=O)C(=CNCCC[NH+]2CCOCC2)C(=O)N1	ZINC000019867670	372798406	/nfs/dbraw/zinc/79/84/06/372798406.db2.gz	VVLBNJWYWBDWTB-UHFFFAOYSA-N	1	2	282.300	-1.452	50	10		CACALO
O=C1NC(=S)NC(=O)C1=CNCCC[NH+]1CCOCC1	ZINC000020438545	171203301	/nfs/dbraw/zinc/20/33/01/171203301.db2.gz	XFKFUFUNPRBTSZ-UHFFFAOYSA-N	1	2	298.368	-1.287	50	10		CACALO
CN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)N(C)C1=O	ZINC000019707177	372797851	/nfs/dbraw/zinc/79/78/51/372797851.db2.gz	YKCIFYVOSPSXIX-UHFFFAOYSA-N	1	2	296.327	-1.158	50	10		CACALO
CC(C)(CNC=C1C(=O)NC(=O)NC1=O)[NH+]1CCOCC1	ZINC000025436554	372803264	/nfs/dbraw/zinc/80/32/64/372803264.db2.gz	KIOGWDWQDUJEET-UHFFFAOYSA-N	1	2	296.327	-1.063	50	10		CACALO
CN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000020023343	372800365	/nfs/dbraw/zinc/80/03/65/372800365.db2.gz	RXRRTKFFJDFWMZ-CMDGGOBGSA-N	1	2	298.368	-1.335	50	10		CACALO
O=C1NC(=O)C(=CNCC[NH+]2CCOCC2)C(=O)N1	ZINC000100795173	372813981	/nfs/dbraw/zinc/81/39/81/372813981.db2.gz	CFSFHHBHTFJPAS-UHFFFAOYSA-N	1	2	268.273	-1.842	50	10		CACALO
O=C1NC(=S)NC(=O)C1=CNCC[NH+]1CCOCC1	ZINC000100796511	372814484	/nfs/dbraw/zinc/81/44/84/372814484.db2.gz	FXXQKUPITHSJQU-UHFFFAOYSA-N	1	2	284.341	-1.677	50	10		CACALO
CN1C(=O)NC(=O)C(=CNCC[NH+]2CCOCC2)C1=O	ZINC000020025790	373645239	/nfs/dbraw/zinc/64/52/39/373645239.db2.gz	VCFVGSYLGHMRPR-CMDGGOBGSA-N	1	2	282.300	-1.500	50	10		CACALO