smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(N/N=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002423849	374279069	/nfs/dbraw/zinc/27/90/69/374279069.db2.gz	WHAXHCODJXBILH-UHFFFAOYSA-N	-1	2	311.279	-0.692	50	30		DBEALM
NS(=O)(=O)c1ccc(N/N=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002423849	374279074	/nfs/dbraw/zinc/27/90/74/374279074.db2.gz	WHAXHCODJXBILH-UHFFFAOYSA-N	-1	2	311.279	-0.692	50	30		DBEALM
O=C1NC(=O)C(=NNc2cccc(S(=O)(=O)[O-])c2)C(=O)N1	ZINC000018191801	392781297	/nfs/dbraw/zinc/78/12/97/392781297.db2.gz	ISSTUQUWIDJNOW-UHFFFAOYSA-N	-1	2	312.263	-0.093	50	30		DBEALM
O=C([O-])CNC(=O)C[C@@H]1SC(NN=Cc2ccco2)=NC1=O	ZINC000006059027	527612266	/nfs/dbraw/zinc/61/22/66/527612266.db2.gz	VWKYATDKCHLVEU-SKUMYXODSA-N	-1	2	324.318	-0.208	50	30		DBEALM
O=C([O-])CNC(=O)CC1SC(NN=Cc2ccco2)=NC1=O	ZINC000006059027	527612281	/nfs/dbraw/zinc/61/22/81/527612281.db2.gz	VWKYATDKCHLVEU-SKUMYXODSA-N	-1	2	324.318	-0.208	50	30		DBEALM
O=c1nc2[n-]c(NN=Cc3ccc([N+](=O)[O-])o3)nnc-2c(=O)[nH]1	ZINC000013510905	374353220	/nfs/dbraw/zinc/35/32/20/374353220.db2.gz	KLYIHEUFYSXCCD-QDEBKDIKSA-N	-1	2	318.209	-0.651	50	30		DBEALM
O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291868	181093764	/nfs/dbraw/zinc/09/37/64/181093764.db2.gz	VWKYATDKCHLVEU-VJYAUKRXSA-N	-1	2	324.318	-0.208	50	30		DBEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291868	181093768	/nfs/dbraw/zinc/09/37/68/181093768.db2.gz	VWKYATDKCHLVEU-VJYAUKRXSA-N	-1	2	324.318	-0.208	50	30		DBEALM
O=C1[N-]C(=O)/C(=N\N=c2[nH]onc2-c2ccccc2)C(=O)N1	ZINC000005004682	181188826	/nfs/dbraw/zinc/18/88/26/181188826.db2.gz	PXVOPMHSZVPHCF-UHFFFAOYSA-N	-1	2	300.234	-0.130	50	30		DBEALM
O=C1[N-]C(=O)/C(=N/N=c2[nH]onc2-c2ccccc2)C(=O)N1	ZINC000005004682	181188827	/nfs/dbraw/zinc/18/88/27/181188827.db2.gz	PXVOPMHSZVPHCF-UHFFFAOYSA-N	-1	2	300.234	-0.130	50	30		DBEALM
O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)N1	ZINC000018996456	182103171	/nfs/dbraw/zinc/10/31/71/182103171.db2.gz	YWQWCJYMMQJOLE-UHFFFAOYSA-N	-1	2	312.263	-0.093	50	30		DBEALM