smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)NC3=O)cc2)n1	ZINC000017174118	558824852	/nfs/dbraw/zinc/82/48/52/558824852.db2.gz	NJOVIQBZPGLYOP-UHFFFAOYSA-N	0	2	416.419	0.556	40	10		HCCBLN
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(N)=O	ZINC000034807620	569360640	/nfs/dbraw/zinc/36/06/40/569360640.db2.gz	QFPNAYPTZQPSFL-QPEQYQDCSA-N	0	2	412.358	0.929	40	10		HCCBLN
CN1C(=O)C(=C[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855843	560734814	/nfs/dbraw/zinc/73/48/14/560734814.db2.gz	DVLNWJJKUHKMAP-SNVBAGLBSA-N	0	2	402.457	0.192	40	10		HCCBLN
CN1C(=O)C(=C[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855847	560734780	/nfs/dbraw/zinc/73/47/80/560734780.db2.gz	DVLNWJJKUHKMAP-JTQLQIEISA-N	0	2	402.457	0.192	40	10		HCCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3nn[nH]n3)C2=O)c(C)cc1Br	ZINC000408526273	571306620	/nfs/dbraw/zinc/30/66/20/571306620.db2.gz	BJRSIJLWQSIEIB-VMPITWQZSA-N	0	2	406.200	1.158	40	10		HCCBLN
CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2nn[nH]n2)C1=O	ZINC000408528214	571309728	/nfs/dbraw/zinc/30/97/28/571309728.db2.gz	HDDOZMGAPBPUHF-RMKNXTFCSA-N	0	2	406.200	1.103	40	10		HCCBLN
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000408905002	560651788	/nfs/dbraw/zinc/65/17/88/560651788.db2.gz	RSTXGXZRXCMEIN-VGOFMYFVSA-N	0	2	409.354	0.946	40	10		HCCBLN