smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000408527324	555717592	/nfs/dbraw/zinc/71/75/92/555717592.db2.gz	DIDVQBUERLPMBB-KQWNVCNZSA-N	-2	3	446.532	4.514	40	10		IJCBHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1[O-]	ZINC000038185349	569260212	/nfs/dbraw/zinc/26/02/12/569260212.db2.gz	RBUQNJFNZXBENF-OQLLNIDSSA-N	-2	3	430.913	4.678	40	10		IJCBHL
O=C1C=C(S(=O)(=O)[O-])c2c(cccc2[N+](=O)[O-])C1=NNc1ccc2ccccc2c1[O-]	ZINC000004900163	556019034	/nfs/dbraw/zinc/01/90/34/556019034.db2.gz	VXSGZEDHCOEWTR-QURGRASLSA-N	-2	3	439.405	4.975	40	10		IJCBHL
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])n[n-]1	ZINC000408630958	556001979	/nfs/dbraw/zinc/00/19/79/556001979.db2.gz	DZFIVMNHYOHOKO-YBEGLDIGSA-N	-2	3	447.358	4.755	40	10		IJCBHL
O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=Cc1nc(=O)[n-]c([O-])c1[N+](=O)[O-]	ZINC000108922076	569260952	/nfs/dbraw/zinc/26/09/52/569260952.db2.gz	UGFFAOQOHSYMGV-YQUBBGPRSA-N	-2	3	448.222	4.570	40	10		IJCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc([O-])c(Cl)c3)SC2=S)c(Cl)c1	ZINC000409144109	556975719	/nfs/dbraw/zinc/97/57/19/556975719.db2.gz	ICSIUFQTFUNOMP-OVCLIPMQSA-N	-2	3	439.345	4.554	40	10		IJCBHL
O=C1C=C(S(=O)(=O)[O-])c2c(cccc2[N+](=O)[O-])C1=NNc1ccc2ccccc2c1[O-]	ZINC000017354817	556676120	/nfs/dbraw/zinc/67/61/20/556676120.db2.gz	VXSGZEDHCOEWTR-DQRAZIAOSA-N	-2	3	439.405	4.975	40	10		IJCBHL