smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCN(C)C2(CCN(c3nc(SC)nc(Cl)c3C=N[O-])CC2)C1=O	ZINC001164634694	719271146	/nfs/dbraw/zinc/27/11/46/719271146.db2.gz	LNYRVMPCQGVIGL-UHFFFAOYSA-N	-1	3	442.973	1.419	20	30		IDEDHM
CSc1nc(Cl)c(C=N[O-])c(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1	ZINC001164996068	722231116	/nfs/dbraw/zinc/23/11/16/722231116.db2.gz	CHXRHYPVVFFYDM-UHFFFAOYSA-N	-1	3	448.984	1.807	20	30		IDEDHM
CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(SC)nc(Cl)c3C=N[O-])C2)C1	ZINC001164717910	720230741	/nfs/dbraw/zinc/23/07/41/720230741.db2.gz	KWPDXKTVBUKYQO-SFHVURJKSA-N	-1	3	442.973	1.325	20	30		IDEDHM
CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(SC)nc(Cl)c3C=N[O-])C2)C1	ZINC001164717909	720230970	/nfs/dbraw/zinc/23/09/70/720230970.db2.gz	KWPDXKTVBUKYQO-GOSISDBHSA-N	-1	3	442.973	1.325	20	30		IDEDHM
CSc1nc(Cl)c(C=N[O-])c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1	ZINC001164794735	721510887	/nfs/dbraw/zinc/51/08/87/721510887.db2.gz	UZXIYLKMGAZQDC-UHFFFAOYSA-N	-1	3	436.973	1.624	20	30		IDEDHM
COc1cc(OC)nc(CN2CCN(c3nc(SC)nc(Cl)c3C=N[O-])CC2)n1	ZINC001165028852	721846699	/nfs/dbraw/zinc/84/66/99/721846699.db2.gz	DMJYFSSNVPTOQX-UHFFFAOYSA-N	-1	3	439.929	1.789	20	30		IDEDHM