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(=O)NS(=O)(=O)c1ccsc1	ZINC000159482331	385617457	/nfs/dbraw/zinc/61/74/57/385617457.db2.gz	QNJXBJUEXFMABH-UHFFFAOYSA-N	0	2	233.314	1.209	20	70		BDIDLN
O=C([O-])NCCNc1ccc2ccccc2[nH+]1	ZINC000217841744	592149083	/nfs/dbraw/zinc/14/90/83/592149083.db2.gz	IUSPUAJPTWWKDZ-UHFFFAOYSA-N	0	2	231.255	1.914	20	70		BDIDLN
O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCCO1	ZINC000160956952	182362456	/nfs/dbraw/zinc/36/24/56/182362456.db2.gz	QEGDDSPLBIVCRK-JTQLQIEISA-N	0	2	232.243	1.075	20	70		BDIDLN
O=C(NS(=O)(=O)c1ccsc1)C1CCC1	ZINC000159746666	385729079	/nfs/dbraw/zinc/72/90/79/385729079.db2.gz	OOLSXBANQFHRQQ-UHFFFAOYSA-N	0	2	245.325	1.353	20	70		BDIDLN
CC1(C(=O)NS(=O)(=O)c2ccsc2)CC1	ZINC000159743616	385724039	/nfs/dbraw/zinc/72/40/39/385724039.db2.gz	QELVJTZPCMSTOI-UHFFFAOYSA-N	0	2	245.325	1.353	20	70		BDIDLN
CCC[C@@H](NC(=O)C(F)(F)F)C(=O)OC	ZINC000216726375	582700474	/nfs/dbraw/zinc/70/04/74/582700474.db2.gz	PBAYXVHLLFCUCJ-RXMQYKEDSA-N	0	2	227.182	1.007	20	70		BDIDLN
O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCCCO1	ZINC000160089599	182362463	/nfs/dbraw/zinc/36/24/63/182362463.db2.gz	VNBKJOFPRMZBLV-LLVKDONJSA-N	0	2	246.270	1.466	20	70		BDIDLN
CCC[C@H](NC(=O)C(F)(F)F)C(=O)OC	ZINC000216726330	592076105	/nfs/dbraw/zinc/07/61/05/592076105.db2.gz	PBAYXVHLLFCUCJ-YFKPBYRVSA-N	0	2	227.182	1.007	20	70		BDIDLN
O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCCCO1	ZINC000160089464	182362322	/nfs/dbraw/zinc/36/23/22/182362322.db2.gz	VNBKJOFPRMZBLV-NSHDSACASA-N	0	2	246.270	1.466	20	70		BDIDLN