smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(N)=O	ZINC000760889589	583261739	/nfs/dbraw/zinc/26/17/39/583261739.db2.gz	NTSMNPXSPZJNGR-SECBINFHSA-N	-1	3	331.350	-1.006	20	10		EACDHM
COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(N)=O	ZINC000760889614	583261888	/nfs/dbraw/zinc/26/18/88/583261888.db2.gz	NTSMNPXSPZJNGR-VIFPVBQESA-N	-1	3	331.350	-1.006	20	10		EACDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)NCCO)c1	ZINC000769996609	583272967	/nfs/dbraw/zinc/27/29/67/583272967.db2.gz	FFGFEDQPKKWUFV-UHFFFAOYSA-N	-1	3	331.350	-1.398	20	10		EACDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOCC(N)=O)c1	ZINC000771041914	583274273	/nfs/dbraw/zinc/27/42/73/583274273.db2.gz	WFYDVNWHCMANCY-UHFFFAOYSA-N	-1	3	331.350	-1.005	20	10		EACDHM
CNC(=O)[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000788187231	583293735	/nfs/dbraw/zinc/29/37/35/583293735.db2.gz	XXLAEJMLJVTYAB-JTQLQIEISA-N	-1	3	331.350	-1.400	20	10		EACDHM
CNC(=O)[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000788187235	583293781	/nfs/dbraw/zinc/29/37/81/583293781.db2.gz	XXLAEJMLJVTYAB-SNVBAGLBSA-N	-1	3	331.350	-1.400	20	10		EACDHM
O=C1[N-]C(=S)NC(=O)C1=CNNc1ccc(-n2ccnc2)nn1	ZINC000794701673	583302124	/nfs/dbraw/zinc/30/21/24/583302124.db2.gz	WGFHEKCXTWLWKJ-UHFFFAOYSA-N	-1	3	330.333	-1.006	20	10		EACDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCS(N)(=O)=O)c1	ZINC000919814746	669954480	/nfs/dbraw/zinc/95/44/80/669954480.db2.gz	PFKHZYBVZSNKAU-UHFFFAOYSA-N	-1	3	337.379	-1.218	20	10		EACDHM