smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc([O-])c(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)c1	ZINC000004681475	570392462	/nfs/dbraw/zinc/39/24/62/570392462.db2.gz	XAIDAMLDBHWWKN-VCHYOVAHSA-N	-2	3	389.389	0.868	50	30		GCEAHL
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c(OC)c1	ZINC000095945727	205507049	/nfs/dbraw/zinc/50/70/49/205507049.db2.gz	CBKYVWZOWDHASM-UHFFFAOYSA-N	-2	3	399.454	0.863	50	30		GCEAHL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000170598261	570856518	/nfs/dbraw/zinc/85/65/18/570856518.db2.gz	JJIDDJSIDIYTFQ-BXKDBHETSA-N	-2	3	397.453	0.440	50	30		GCEAHL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000170598262	570856634	/nfs/dbraw/zinc/85/66/34/570856634.db2.gz	JJIDDJSIDIYTFQ-CABZTGNLSA-N	-2	3	397.453	0.440	50	30		GCEAHL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000170598260	570856591	/nfs/dbraw/zinc/85/65/91/570856591.db2.gz	JJIDDJSIDIYTFQ-SKDRFNHKSA-N	-2	3	397.453	0.440	50	30		GCEAHL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(=O)N[O-])cc1	ZINC000001884569	212259438	/nfs/dbraw/zinc/25/94/38/212259438.db2.gz	XVCKEHORAULDIV-UHFFFAOYSA-N	-3	3	379.350	0.630	50	30		GCEAHL
Cc1[nH]c(=O)[n-]c(=O)c1C=Nn1cc([O-])c(-c2nc3ccccc3s2)c1N	ZINC000013693449	525401823	/nfs/dbraw/zinc/40/18/23/525401823.db2.gz	GHXOMKXEUWLZBV-KPSZGOFPSA-N	-2	3	382.405	0.527	50	30		GCEAHL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000170598263	570856663	/nfs/dbraw/zinc/85/66/63/570856663.db2.gz	JJIDDJSIDIYTFQ-JOYOIKCWSA-N	-2	3	397.453	0.440	50	30		GCEAHL