smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(Cc2ccc(O)c(O)c2)C3=O)cc1	ZINC000095601788	563192987	/nfs/dbraw/zinc/19/29/87/563192987.db2.gz	AJGBLFFSLGNZHK-UHFFFAOYSA-N	-1	1	438.461	3.003	1	10		IGCFMM
O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c(O)c1[N+](=O)[O-]	ZINC000013677691	563000602	/nfs/dbraw/zinc/00/06/02/563000602.db2.gz	YJBRODWYBBJIOI-UHFFFAOYSA-N	-1	1	439.390	3.420	1	10		IGCFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1)c1cc(O)c(O)c(O)c1	ZINC000043017238	563116973	/nfs/dbraw/zinc/11/69/73/563116973.db2.gz	FTOBXSMPDATVNH-UHFFFAOYSA-N	-1	1	436.392	3.135	1	10		IGCFMM
COc1cc2cc(C(=O)[O-])nc(C(=O)c3ccc(O)c(O)c3)c2c(Br)c1O	ZINC000013470140	562987677	/nfs/dbraw/zinc/98/76/77/562987677.db2.gz	IJKZXTUQQILWMJ-UHFFFAOYSA-N	-1	1	434.198	3.052	1	10		IGCFMM
Cc1cc(O)c2c(c1)C(=O)c1c(Br)c([O-])c(Br)c(O)c1C2=O	ZINC000038428321	563097707	/nfs/dbraw/zinc/09/77/07/563097707.db2.gz	GPTMXAZKVCUZCW-UHFFFAOYSA-N	-1	1	428.032	3.412	1	10		IGCFMM
O=C(c1cccc2ccccc21)n1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000095585485	563188950	/nfs/dbraw/zinc/18/89/50/563188950.db2.gz	RWECERWMOSPKHW-UHFFFAOYSA-N	-1	1	425.469	3.397	1	10		IGCFMM
CC[C@@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(CCc1ccc(N)cc1)[C@H](O)C3	ZINC000085593571	291355650	/nfs/dbraw/zinc/35/56/50/291355650.db2.gz	FHWCTILCEHKHSJ-WONHAXNMSA-N	-1	1	425.481	3.212	1	10	biogenic,in-vitro	IGCFMM
CC[C@@H](O)c1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@](C)(CCc1ccc(N)cc1)[C@H](O)C3	ZINC000085593571	291355652	/nfs/dbraw/zinc/35/56/52/291355652.db2.gz	FHWCTILCEHKHSJ-WONHAXNMSA-N	-1	1	425.481	3.212	1	10	biogenic,in-vitro	IGCFMM