smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000004699447	204156343	/nfs/dbraw/zinc/15/63/43/204156343.db2.gz	JIHZZXGMRJVDPB-CXUHLZMHSA-N	-1	2	363.351	1.876	50	30		FDEALM
Cc1ccccc1S(=O)(=O)[N-]C(=O)NS(=O)(=O)c1ccccc1C	ZINC000005815875	204225896	/nfs/dbraw/zinc/22/58/96/204225896.db2.gz	ZRIXMRNZDNXRIH-UHFFFAOYSA-N	-1	2	368.436	1.885	50	30		FDEALM
O=C1NC(=O)C(=NNc2ccc3ccccc3c2S(=O)(=O)[O-])C(=O)N1	ZINC000013941873	518669752	/nfs/dbraw/zinc/66/97/52/518669752.db2.gz	KRGVLUFQTSDTCZ-UHFFFAOYSA-N	-1	2	362.323	1.061	50	30		FDEALM
O=C(NCc1ccccc1)c1ccccc1N/N=C1/C(=O)[N-]C(=O)NC1=O	ZINC000006885189	526738651	/nfs/dbraw/zinc/73/86/51/526738651.db2.gz	BIWIQDJJJXDUAJ-UHFFFAOYSA-N	-1	2	365.349	1.591	50	30		FDEALM
O=C(NCc1ccccc1)c1ccccc1N/N=C1\C(=O)[N-]C(=O)NC1=O	ZINC000006885189	526738656	/nfs/dbraw/zinc/73/86/56/526738656.db2.gz	BIWIQDJJJXDUAJ-UHFFFAOYSA-N	-1	2	365.349	1.591	50	30		FDEALM
O=C([O-])CCNC(=O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304712	527590585	/nfs/dbraw/zinc/59/05/85/527590585.db2.gz	RHFIQFYSCHARNQ-WCRDLVAASA-N	-1	2	374.422	1.254	50	30		FDEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304712	527590588	/nfs/dbraw/zinc/59/05/88/527590588.db2.gz	RHFIQFYSCHARNQ-WCRDLVAASA-N	-1	2	374.422	1.254	50	30		FDEALM
O=c1nc2nc(NN=Cc3ccc(Cl)cc3Cl)[n-]nc-2c(=O)[nH]1	ZINC000003909449	204115870	/nfs/dbraw/zinc/11/58/70/204115870.db2.gz	CEGROQMNTDDAII-SYZQJQIISA-N	-1	2	352.141	1.154	50	30		FDEALM
O=c1nc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[n-]nc1Cc1ccccc1	ZINC000006663978	207153297	/nfs/dbraw/zinc/15/32/97/207153297.db2.gz	NPZKVQFWWSUGFO-VCHYOVAHSA-N	-1	2	366.337	1.816	50	30		FDEALM
O=C([O-])CCNC(=O)C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304701	527589770	/nfs/dbraw/zinc/58/97/70/527589770.db2.gz	RHFIQFYSCHARNQ-GNHDWXELSA-N	-1	2	374.422	1.254	50	30		FDEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004304701	527589779	/nfs/dbraw/zinc/58/97/79/527589779.db2.gz	RHFIQFYSCHARNQ-GNHDWXELSA-N	-1	2	374.422	1.254	50	30		FDEALM
O=C([O-])c1cc(Br)ccc1NN=C1C(=O)NC(=O)NC1=O	ZINC000002222353	263145078	/nfs/dbraw/zinc/14/50/78/263145078.db2.gz	YJXNWFNVXFGCLI-UHFFFAOYSA-N	-1	2	355.104	1.122	50	30		FDEALM