smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2c([O-])c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc(S(=O)(=O)c2ccccc2)cc1	ZINC000013737756	562986183	/nfs/dbraw/zinc/98/61/83/562986183.db2.gz	UWAISJOXEACFOV-UHFFFAOYSA-N	-1	1	489.505	3.858	1	10		JHCFMM
COc1c([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC2)c2oc(-c3ccccc3)cc(O)c-2c1=O	ZINC000029127742	563095835	/nfs/dbraw/zinc/09/58/35/563095835.db2.gz	LUCWALNMUSWJPG-UHFFFAOYSA-N	-1	1	482.533	3.933	1	10		JHCFMM
[O-]c1c(O)cc(Cc2c(Br)c(O)c(O)cc2CO)c(Br)c1Br	ZINC000013379251	562962217	/nfs/dbraw/zinc/96/22/17/562962217.db2.gz	FZJSRHWEUVKMLN-UHFFFAOYSA-N	-1	1	498.949	3.880	1	10		JHCFMM
CN(C)CCNC(=O)c1c2c(ccc1[O-])n(CCc1ccccc1)c1c2C(=O)c2ccccc2C1=O	ZINC000001663198	562923139	/nfs/dbraw/zinc/92/31/39/562923139.db2.gz	FGVQLZDPDNQNNR-UHFFFAOYSA-N	-1	1	481.552	3.656	1	10		JHCFMM
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000038488519	563134865	/nfs/dbraw/zinc/13/48/65/563134865.db2.gz	CRSCYOMRZYZFET-UHFFFAOYSA-N	-1	1	455.521	3.574	1	10		JHCFMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@H](c3ccccc3O)C2)cc1	ZINC000005579440	562934273	/nfs/dbraw/zinc/93/42/73/562934273.db2.gz	JIXJWDBBFBNYDM-FQEVSTJZSA-N	-1	1	452.492	3.848	1	10		JHCFMM
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Sc4nc[nH]n4)c([O-])c4ccccc34)ccc21	ZINC000038488523	563134875	/nfs/dbraw/zinc/13/48/75/563134875.db2.gz	NAVKTDFSZKJQOB-UHFFFAOYSA-N	-1	1	481.559	3.525	1	10		JHCFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(C4(O)CCCC4)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593573	560065191	/nfs/dbraw/zinc/06/51/91/560065191.db2.gz	AWHNDXJBXJXTNE-BWKNWUBXSA-N	-1	1	451.519	3.530	1	10	biogenic,in-vitro	JHCFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(C4(O)CCCC4)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593573	560065192	/nfs/dbraw/zinc/06/51/92/560065192.db2.gz	AWHNDXJBXJXTNE-BWKNWUBXSA-N	-1	1	451.519	3.530	1	10	biogenic,in-vitro	JHCFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1)c1cc(O)c(O)c(O)c1	ZINC000043019480	563164903	/nfs/dbraw/zinc/16/49/03/563164903.db2.gz	HVDNBLVCEAGNKG-UHFFFAOYSA-N	-1	1	479.308	3.619	1	10		JHCFMM
C/C(=C/Cc1c(=O)c2c([O-])cc3c(c2oc1-c1cc(O)c(O)cc1O)C=CC(C)(C)O3)CO	ZINC000013373235	562962148	/nfs/dbraw/zinc/96/21/48/562962148.db2.gz	UTYRRYOOGHLXNT-QCDXTXTGSA-N	-1	1	452.459	3.948	1	10	in-vitro	JHCFMM
C/C(=C/Cc1c([O-])c2c(=O)cc3c(c-2oc1-c1cc(O)c(O)cc1O)C=CC(C)(C)O3)CO	ZINC000013373235	562962151	/nfs/dbraw/zinc/96/21/51/562962151.db2.gz	UTYRRYOOGHLXNT-QCDXTXTGSA-N	-1	1	452.459	3.948	1	10	in-vitro	JHCFMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@@H](c3ccccc3O)C2)cc1	ZINC000031905901	563109053	/nfs/dbraw/zinc/10/90/53/563109053.db2.gz	JIXJWDBBFBNYDM-HXUWFJFHSA-N	-1	1	452.492	3.848	1	10		JHCFMM
Cc1nnc(-n2c(=O)cc([O-])n(-c3ccccc3)c2=S)nc1C=Cc1ccc(N(C)C)cc1	ZINC000008863579	562955268	/nfs/dbraw/zinc/95/52/68/562955268.db2.gz	JQBIFFJOXPOSFS-SDNWHVSQSA-N	-1	1	458.547	3.793	1	10		JHCFMM
O=c1ccnc(Sc2cccc3c2C(=O)c2cccc(Sc4nccc(=O)[nH]4)c2C3=O)[n-]1	ZINC000013558875	562974473	/nfs/dbraw/zinc/97/44/73/562974473.db2.gz	NPOPKVNGXHJLBI-UHFFFAOYSA-N	-1	1	460.496	3.756	1	10		JHCFMM