smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(O)c2c(O)cc(-c3ccccc3)oc-2c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=O	ZINC000029127742	563095836	/nfs/dbraw/zinc/09/58/36/563095836.db2.gz	LUCWALNMUSWJPG-UHFFFAOYSA-N	0	2	482.533	3.933	1	10		JHCFLN
COc1c(O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c2oc(-c3ccccc3)cc(O)c-2c1=O	ZINC000029127742	563095837	/nfs/dbraw/zinc/09/58/37/563095837.db2.gz	LUCWALNMUSWJPG-UHFFFAOYSA-N	0	2	482.533	3.933	1	10		JHCFLN
Nc1ccc(Cn2c[nH+]c3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1	ZINC000013446849	562964347	/nfs/dbraw/zinc/96/43/47/562964347.db2.gz	DKOFQNXPRMRHCU-VWLOTQADSA-N	0	2	466.541	3.684	1	10		JHCFLN
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1	ZINC000038488519	563134866	/nfs/dbraw/zinc/13/48/66/563134866.db2.gz	CRSCYOMRZYZFET-UHFFFAOYSA-N	0	2	455.521	3.574	1	10		JHCFLN
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Sc4nc[nH]n4)c(O)c4ccccc34)ccc21	ZINC000038488523	563134876	/nfs/dbraw/zinc/13/48/76/563134876.db2.gz	NAVKTDFSZKJQOB-UHFFFAOYSA-N	0	2	481.559	3.525	1	10		JHCFLN
C/C(=C/Cc1c(O)c2c(=O)cc3c(c-2oc1-c1cc(O)c(O)cc1O)C=CC(C)(C)O3)CO	ZINC000013373235	562962153	/nfs/dbraw/zinc/96/21/53/562962153.db2.gz	UTYRRYOOGHLXNT-QCDXTXTGSA-N	0	2	452.459	3.948	1	10	in-vitro	JHCFLN
COc1ccc2[nH+]c3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)c2c1	ZINC000005581255	562934348	/nfs/dbraw/zinc/93/43/48/562934348.db2.gz	FCDOZTMGFLZKEZ-UHFFFAOYSA-N	0	2	466.475	3.873	1	10		JHCFLN
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043011061	563164065	/nfs/dbraw/zinc/16/40/65/563164065.db2.gz	HSRGVLUTAQAIBI-AWEZNQCLSA-N	0	2	499.472	3.587	1	10		JHCFLN