smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C	ZINC000008234241	552985260	/nfs/dbraw/zinc/98/52/60/552985260.db2.gz	JGUYJMIAKPTIAH-MTAILJIJSA-N	0	3	562.744	3.613	40	30	biogenic,in-vitro	KHEBHN
COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)Nc3cccc(C#N)c3)n(C)n2)cc1OC	ZINC000008635918	560210575	/nfs/dbraw/zinc/21/05/75/560210575.db2.gz	VSFQFXQXICUZBI-PMOQBDJRSA-N	0	3	500.603	3.975	40	30	biogenic,in-vitro	KHEBHN
CC(C)(C)OC(=O)N1CCCN(C(=O)OC(C)(C)C)CCN(OC(=O)C(C)(C)C)CCCNCC1	ZINC000012359279	553359269	/nfs/dbraw/zinc/35/92/69/553359269.db2.gz	LOURULBYLLGQAW-UHFFFAOYSA-N	0	3	500.681	3.650	40	30		KHEBHN
CCOC(=O)C(C#N)[C@H](c1ccc(OC)cc1)N1CCN([C@@H](c2ccc(OC)cc2)[C@@H](C#N)C(=O)OCC)CC1	ZINC000022584739	553747598	/nfs/dbraw/zinc/74/75/98/553747598.db2.gz	CCXFGEVSCVZDDA-VIJSPRBVSA-N	0	3	548.640	3.510	40	30		KHEBHN
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C	ZINC000100070324	554200964	/nfs/dbraw/zinc/20/09/64/554200964.db2.gz	JGUYJMIAKPTIAH-QRINDYATSA-N	0	3	562.744	3.613	40	30	biogenic,in-vitro	KHEBHN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CCN1[C@H]42	ZINC000169737646	571559931	/nfs/dbraw/zinc/55/99/31/571559931.db2.gz	QZRIMAMDGWAHPQ-WGOGSPBCSA-N	0	3	794.902	3.997	40	30		KHEBHN