smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cnc4cc5c(cc4c3n(CCNC(CO)CO)c(=O)c2cc1OC)OCO5	ZINC000043022406	563165126	/nfs/dbraw/zinc/16/51/26/563165126.db2.gz	WHCMCUYEHCTZJB-UHFFFAOYSA-N	0	3	467.478	1.392	1	5		JDBFHN
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc([N+](=O)[O-])cc54)CC3)nc2N1	ZINC000034843446	563116869	/nfs/dbraw/zinc/11/68/69/563116869.db2.gz	VEXIRMNIIKRZHJ-UHFFFAOYSA-N	0	3	482.497	1.300	1	5		JDBFHN
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3c(=O)n(CCN(C)C)c(=O)n2c31	ZINC000005581653	562934324	/nfs/dbraw/zinc/93/43/24/562934324.db2.gz	BUBDQXPKYYLUQB-UHFFFAOYSA-N	0	3	451.527	1.109	1	5		JDBFHN
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc([N+](=O)[O-])cc4c(=O)c1c23	ZINC000005582480	562934358	/nfs/dbraw/zinc/93/43/58/562934358.db2.gz	UAPCXYAZNSSWPA-UHFFFAOYSA-N	0	3	466.498	1.009	1	5		JDBFHN