smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=C(C(=O)[O-])[C@H](C)[C@@]23O[C@]24c2cc(O)c5c(c2N[C@H]3C#C/C=C\C#C[C@H]14)C(=O)c1c(O)ccc(O)c1C5=O	ZINC000003924672	561686272	/nfs/dbraw/zinc/68/62/72/561686272.db2.gz	AFMYMMXSQGUCBK-AKMKHHNQSA-N	-1	0	537.480	2.165	10	30		KEEERM
CC(=O)[C@@]1(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000077302011	553661366	/nfs/dbraw/zinc/66/13/66/553661366.db2.gz	YKJGKCXJQSKUKI-BLGPHPEZSA-N	-1	0	520.619	2.001	10	30	in-vitro	KEEERM
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(=O)C(=C2[O-])C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O	ZINC000107428836	562825458	/nfs/dbraw/zinc/82/54/58/562825458.db2.gz	KKZJVQQMUCBLHR-LVBRMASUSA-N	-1	0	546.617	2.320	10	30		KEEERM
COc1ccc(S(=O)(=O)OCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)cc1C(=O)[O-]	ZINC000226856927	572143971	/nfs/dbraw/zinc/14/39/71/572143971.db2.gz	CMMDFUCJHVXAML-UHFFFAOYSA-N	-1	0	500.441	2.456	10	30		KEEERM