smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000005998231	560109242	/nfs/dbraw/zinc/10/92/42/560109242.db2.gz	KGHSLXLLBHRMML-VKISENBKSA-N	-1	0	332.261	-1.628	10	10	biogenic,in-vitro	EACERM
CN1C(=O)[N-]C(=O)C(=CN[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O	ZINC000020611364	685099653	/nfs/dbraw/zinc/09/96/53/685099653.db2.gz	ULCSTDVDCYZFDI-UHLQNFSYSA-N	-1	0	331.281	-4.032	10	10		EACERM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000101144512	685056328	/nfs/dbraw/zinc/05/63/28/685056328.db2.gz	DDILESBJYNMTPU-WDZFZDKYSA-N	-1	0	335.316	-1.541	10	10		EACERM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)C1=O	ZINC000254874958	686428072	/nfs/dbraw/zinc/42/80/72/686428072.db2.gz	ULCSTDVDCYZFDI-LCIYQKCQSA-N	-1	0	331.281	-3.192	10	10		EACERM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C1=O	ZINC000254874960	686428064	/nfs/dbraw/zinc/42/80/64/686428064.db2.gz	ULCSTDVDCYZFDI-NSMJDHMESA-N	-1	0	331.281	-3.192	10	10		EACERM
Cn1c([O-])c(C=CC=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O	ZINC001082889403	686262869	/nfs/dbraw/zinc/26/28/69/686262869.db2.gz	VCGBVYZFGISYKK-WAYWQWQTSA-N	-1	0	347.307	-1.847	10	10		EACERM