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-])CCNC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O	ZINC000004536344	435980369	/nfs/dbraw/zinc/98/03/69/435980369.db2.gz	KIQOTCMOSVKJRE-DTQASYIRSA-N	-1	2	348.384	0.589	40	30		ECEBLM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O	ZINC000004536344	435980376	/nfs/dbraw/zinc/98/03/76/435980376.db2.gz	KIQOTCMOSVKJRE-DTQASYIRSA-N	-1	2	348.384	0.589	40	30		ECEBLM
CC(=O)C1=C([O-])C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O	ZINC000005114136	210391162	/nfs/dbraw/zinc/39/11/62/210391162.db2.gz	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	2	331.280	0.715	40	30	in-vivo	ECEBLM
CC(=O)C1=C([O-])[C@@]2(C)c3c(c(C(N)=O)c(O)cc3O)OC2=CC1=O	ZINC000005114136	210391168	/nfs/dbraw/zinc/39/11/68/210391168.db2.gz	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	2	331.280	0.715	40	30	in-vivo	ECEBLM
CC([O-])=C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O	ZINC000005114136	210391172	/nfs/dbraw/zinc/39/11/72/210391172.db2.gz	GEWLYFZWVLXQME-MRXNPFEDSA-N	-1	2	331.280	0.715	40	30	in-vivo	ECEBLM
O=C([O-])CCNC(=O)C[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O	ZINC000001454411	435958822	/nfs/dbraw/zinc/95/88/22/435958822.db2.gz	KIQOTCMOSVKJRE-LBFZPMSMSA-N	-1	2	348.384	0.589	40	30		ECEBLM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2ccccc2)NC1=O	ZINC000001454411	435958835	/nfs/dbraw/zinc/95/88/35/435958835.db2.gz	KIQOTCMOSVKJRE-LBFZPMSMSA-N	-1	2	348.384	0.589	40	30		ECEBLM