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(/C=C2/SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000040366230	563099355	/nfs/dbraw/zinc/09/93/55/563099355.db2.gz	MTLOMBURWFELES-NTEUORMPSA-N	-2	0	429.435	2.839	10	10		IFCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000013073897	569309082	/nfs/dbraw/zinc/30/90/82/569309082.db2.gz	DJFKKVWGDIOYDZ-CWZJEYLYSA-N	-2	0	448.434	2.984	10	10		IFCERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000015034799	563017475	/nfs/dbraw/zinc/01/74/75/563017475.db2.gz	XSPCVDKMLUDTDI-QBQSQJOESA-N	-2	0	430.301	2.968	10	10		IFCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S	ZINC000035517172	527632217	/nfs/dbraw/zinc/63/22/17/527632217.db2.gz	HNYQPUTWUIDZRQ-AISSWFOISA-N	-3	0	447.446	2.774	10	10		IFCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S	ZINC000035517166	527624149	/nfs/dbraw/zinc/62/41/49/527624149.db2.gz	HNYQPUTWUIDZRQ-OBTCNRAFSA-N	-3	0	447.446	2.774	10	10		IFCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000009884768	569572807	/nfs/dbraw/zinc/57/28/07/569572807.db2.gz	DJFKKVWGDIOYDZ-FUEWVNAISA-N	-2	0	448.434	2.984	10	10		IFCERL