smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000005080657	372767094	/nfs/dbraw/zinc/76/70/94/372767094.db2.gz	YOJWMLAQTOZRHW-BWZBUEFSSA-N	-1	3	324.286	-1.700	40	30		DAEBHM
CS(=O)(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000005080658	372766186	/nfs/dbraw/zinc/76/61/86/372766186.db2.gz	YOJWMLAQTOZRHW-XLPZGREQSA-N	-1	3	324.286	-1.700	40	30		DAEBHM
NC(N)=NNC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)[C@@H](O)CO	ZINC000104122747	409340646	/nfs/dbraw/zinc/34/06/46/409340646.db2.gz	JJIZBDKTGJFMSS-XKJWGBPZSA-N	-1	3	320.310	-5.270	40	30		DAEBHM
CS(=O)(=O)O[C@H]1C[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000001714610	180890811	/nfs/dbraw/zinc/89/08/11/180890811.db2.gz	YOJWMLAQTOZRHW-RNJXMRFFSA-N	-1	3	324.286	-1.700	40	30		DAEBHM
O=c1nc(NN=C[C@H](O)[C@H](O)[C@H](O)CO)[n-]c2ccccc12	ZINC000005543372	257231487	/nfs/dbraw/zinc/23/14/87/257231487.db2.gz	UTIVVZUTKDIEAQ-PDAHMXPXSA-N	-1	3	308.294	-1.604	40	30		DAEBHM
CS(=O)(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO	ZINC000005080659	295542247	/nfs/dbraw/zinc/54/22/47/295542247.db2.gz	YOJWMLAQTOZRHW-PRJMDXOYSA-N	-1	3	324.286	-1.700	40	30		DAEBHM
CS(=O)(=O)[N-]C(=N[N+](=O)[O-])NCCOS(C)(=O)=O	ZINC000016981867	372781902	/nfs/dbraw/zinc/78/19/02/372781902.db2.gz	NSKGRTLIUKYMNH-UHFFFAOYSA-N	-1	3	304.306	-2.351	40	30		DAEBHM
O=c1nc(NN=C[C@@H](O)[C@H](O)[C@H](O)CO)[n-]c2ccccc12	ZINC000005543374	257231576	/nfs/dbraw/zinc/23/15/76/257231576.db2.gz	UTIVVZUTKDIEAQ-BBCUKWIBSA-N	-1	3	308.294	-1.604	40	30		DAEBHM
NC(N)=NNC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)[C@@H](O)CO	ZINC000104122751	409340129	/nfs/dbraw/zinc/34/01/29/409340129.db2.gz	JJIZBDKTGJFMSS-AYKSTRJOSA-N	-1	3	320.310	-5.270	40	30		DAEBHM