smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)nc(OC)n1	ZINC000003066996	194223678	/nfs/dbraw/zinc/22/36/78/194223678.db2.gz	FUKOODDDPVUEHZ-UHFFFAOYSA-N	0	2	464.485	0.121	50	10		JCCALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(c3cccc4ccccc43)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009329295	555100258	/nfs/dbraw/zinc/10/02/58/555100258.db2.gz	QBFOUODKJHEGKD-SDNWHVSQSA-N	0	2	488.464	0.207	50	10		JCCALN
CN(c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000016188738	523636396	/nfs/dbraw/zinc/63/63/96/523636396.db2.gz	JLMVVRPIUGOZFK-UHFFFAOYSA-N	0	2	459.418	0.953	50	10		JCCALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(c3ccccc3F)C1=O)n(C)c(=O)n(C)c2=O	ZINC000017181053	556235223	/nfs/dbraw/zinc/23/52/23/556235223.db2.gz	SIZUBTLVYXCKOB-HJWRWDBZSA-N	0	2	456.394	0.034	50	10		JCCALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000017195643	556238015	/nfs/dbraw/zinc/23/80/15/556238015.db2.gz	PQTDPBWCHNYHSX-FLIBITNWSA-N	0	2	472.849	0.548	50	10		JCCALN
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000020025411	555603354	/nfs/dbraw/zinc/60/33/54/555603354.db2.gz	HNDCDOPWUNCXNH-SDNWHVSQSA-N	0	2	470.267	0.680	50	10		JCCALN