smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1O	ZINC000217414644	257132516	/nfs/dbraw/zinc/13/25/16/257132516.db2.gz	XJNWRVZWSSNFJK-APPZFPTMSA-N	0	1	313.291	-0.004	40	5		DBBBMN
O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1O	ZINC000217414498	257132165	/nfs/dbraw/zinc/13/21/65/257132165.db2.gz	XJNWRVZWSSNFJK-CBAPKCEASA-N	0	1	313.291	-0.004	40	5		DBBBMN
O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1CCO	ZINC000040372868	183056916	/nfs/dbraw/zinc/05/69/16/183056916.db2.gz	PVORKVWTMQBRQE-UHFFFAOYSA-N	0	1	324.300	-0.189	40	5		DBBBMN
O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1O	ZINC000217414567	257132067	/nfs/dbraw/zinc/13/20/67/257132067.db2.gz	XJNWRVZWSSNFJK-VXNVDRBHSA-N	0	1	313.291	-0.004	40	5		DBBBMN
O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1O	ZINC000217414403	257132588	/nfs/dbraw/zinc/13/25/88/257132588.db2.gz	XJNWRVZWSSNFJK-IONNQARKSA-N	0	1	313.291	-0.004	40	5		DBBBMN