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(C(=O)c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000104280399	508331116	/nfs/dbraw/zinc/33/11/16/508331116.db2.gz	OINAKONFDMULMT-DNTCVELPSA-N	-2	0	350.334	2.896	40	10		FFCBRL
CCn1ncc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1F	ZINC000253401574	509877211	/nfs/dbraw/zinc/87/72/11/509877211.db2.gz	NHXFJAWONJZGTK-UHFFFAOYSA-N	-2	0	354.190	2.855	40	10		FFCBRL
O=c1[nH]cc(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1[O-]	ZINC000018267801	539649050	/nfs/dbraw/zinc/64/90/50/539649050.db2.gz	FDLLLPKSSLZELX-FMQUCBEESA-N	-2	0	371.378	2.692	40	10		FFCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1	ZINC000408942276	513095890	/nfs/dbraw/zinc/09/58/90/513095890.db2.gz	YUBALRZAPWZBNW-NTEUORMPSA-N	-2	0	370.748	2.705	40	10		FFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000408852816	513094999	/nfs/dbraw/zinc/09/49/99/513094999.db2.gz	IPMCQJMQWZHPIP-MHWRWJLKSA-N	-2	0	364.357	2.668	40	10		FFCBRL
O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000409340587	513100626	/nfs/dbraw/zinc/10/06/26/513100626.db2.gz	ZRYIKHQUQLFMRR-FPYGCLRLSA-N	-2	0	364.231	2.985	40	10		FFCBRL
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408813176	513093914	/nfs/dbraw/zinc/09/39/14/513093914.db2.gz	PUZVLFUBDOZJMV-MLPAPPSSSA-N	-2	0	359.769	2.626	40	10		FFCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000100077554	209208371	/nfs/dbraw/zinc/20/83/71/209208371.db2.gz	OILFJMYLWASPJD-ZDBRSUKYSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1cccc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000027530432	210163804	/nfs/dbraw/zinc/16/38/04/210163804.db2.gz	RVBBZYPHXKOEGM-SERMCNLOSA-N	-2	0	365.432	2.514	40	10		FFCBRL
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059247886	507495285	/nfs/dbraw/zinc/49/52/85/507495285.db2.gz	DPKMERYBURBBJK-MKMNVTDBSA-N	-2	0	359.769	2.626	40	10		FFCBRL
O=C([O-])CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409124059	263531472	/nfs/dbraw/zinc/53/14/72/263531472.db2.gz	GMQYGHWBRQJUEB-QPEQYQDCSA-N	-2	0	373.342	2.766	40	10		FFCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000033423993	506356457	/nfs/dbraw/zinc/35/64/57/506356457.db2.gz	HJARZQMBILNSLK-DHDCSXOGSA-N	-2	0	367.361	2.724	40	10		FFCBRL
O=c1[nH]cc(/N=N\c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1[O-]	ZINC000100486048	222245896	/nfs/dbraw/zinc/24/58/96/222245896.db2.gz	FDLLLPKSSLZELX-VXPUYCOJSA-N	-2	0	371.378	2.692	40	10		FFCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000255992208	222999179	/nfs/dbraw/zinc/99/91/79/222999179.db2.gz	OILFJMYLWASPJD-HNNXBMFYSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1S(=O)(=O)[O-]	ZINC000100244808	222239525	/nfs/dbraw/zinc/23/95/25/222239525.db2.gz	MPYKTAKYPNUACE-BQASMSSTSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000027530433	203868158	/nfs/dbraw/zinc/86/81/58/203868158.db2.gz	RVBBZYPHXKOEGM-OYGDSYQHSA-N	-2	0	365.432	2.514	40	10		FFCBRL
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)s1	ZINC000409192636	513100410	/nfs/dbraw/zinc/10/04/10/513100410.db2.gz	DBTZQIGAZLMWMI-MDWZMJQESA-N	-2	0	372.427	2.586	40	10		FFCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1S(=O)(=O)[O-]	ZINC000100244817	205941771	/nfs/dbraw/zinc/94/17/71/205941771.db2.gz	MPYKTAKYPNUACE-DVEDPGPFSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000013703887	506951796	/nfs/dbraw/zinc/95/17/96/506951796.db2.gz	OILFJMYLWASPJD-HEWTWTGNSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000102920094	209244398	/nfs/dbraw/zinc/24/43/98/209244398.db2.gz	OINAKONFDMULMT-CVTQAYBASA-N	-2	0	350.334	2.896	40	10		FFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408989960	513096438	/nfs/dbraw/zinc/09/64/38/513096438.db2.gz	VTGFXZHGHGBWIW-WJDWOHSUSA-N	-2	0	364.357	2.614	40	10		FFCBRL
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408817116	513094005	/nfs/dbraw/zinc/09/40/05/513094005.db2.gz	VFWDWHPKGCKSSK-NSIKDUERSA-N	-2	0	359.769	2.626	40	10		FFCBRL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1	ZINC000255992209	210217164	/nfs/dbraw/zinc/21/71/64/210217164.db2.gz	OILFJMYLWASPJD-OAHLLOKOSA-N	-2	0	358.379	2.808	40	10		FFCBRL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccccc1	ZINC000009234968	506687354	/nfs/dbraw/zinc/68/73/54/506687354.db2.gz	YETZHKJFQFHIOR-CMDGGOBGSA-N	-2	0	352.350	2.962	40	10		FFCBRL
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000073242064	507906176	/nfs/dbraw/zinc/90/61/76/507906176.db2.gz	OINAKONFDMULMT-FZFLATATSA-N	-2	0	350.334	2.896	40	10		FFCBRL
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000104280392	222353751	/nfs/dbraw/zinc/35/37/51/222353751.db2.gz	OINAKONFDMULMT-MVZUJROASA-N	-2	0	350.334	2.896	40	10		FFCBRL
O=C([O-])CCNC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000242522365	509846593	/nfs/dbraw/zinc/84/65/93/509846593.db2.gz	IPOKCKJONYRRHP-UHFFFAOYSA-N	-2	0	357.322	2.710	40	10	investigational	FFCBRL