smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1)cc1c(c2O)C(=O)c2c(O)cc3c(c2C1=O)O[C@@H]1O[C@@]3(C)[C@H](O)[C@@H]([NH+](C)C)[C@H]1O	ZINC000011592971	562957371	/nfs/dbraw/zinc/95/73/71/562957371.db2.gz	HQNMNCHWQYMBPJ-LZNULQBSSA-N	1	2	491.496	1.951	1	10		JDCFLO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc(O)c3CN3CC[NH+](C)CC3)nc2-1	ZINC000022442740	563016953	/nfs/dbraw/zinc/01/69/53/563016953.db2.gz	KWZZLDXIKMLRPZ-SANMLTNESA-N	1	2	476.533	1.533	1	10		JDCFLO
CC[C@@]1(C(=O)NCC[NH+]2CCOCC2)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000040897289	563154185	/nfs/dbraw/zinc/15/41/85/563154185.db2.gz	KHPPRSXVWKGVNO-AREMUKBSSA-N	1	2	474.517	1.649	1	10		JDCFLO
Cc1ccc2c(c1)cc1c(c2O)C(=O)c2c(O)cc3c(c2C1=O)O[C@@H]1O[C@@]3(C)[C@@H](O)[C@@H]([NH+](C)C)[C@H]1O	ZINC000005440133	562933998	/nfs/dbraw/zinc/93/39/98/562933998.db2.gz	HQNMNCHWQYMBPJ-OUDJFBKESA-N	1	2	491.496	1.951	1	10		JDCFLO
Cc1ccc2c(c1)cc1c(c2O)C(=O)c2c(O)cc3c(c2C1=O)O[C@@H]1O[C@@]3(C)[C@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC000011592970	562957384	/nfs/dbraw/zinc/95/73/84/562957384.db2.gz	HQNMNCHWQYMBPJ-PDNMKEEMSA-N	1	2	491.496	1.951	1	10		JDCFLO
Cc1ccc2c(c1)cc1c(c2O)C(=O)c2c(O)cc3c(c2C1=O)O[C@@H]1O[C@@]3(C)[C@H](O)[C@@H]([NH+](C)C)[C@@H]1O	ZINC000011592973	562957405	/nfs/dbraw/zinc/95/74/05/562957405.db2.gz	HQNMNCHWQYMBPJ-UHJJGBGMSA-N	1	2	491.496	1.951	1	10		JDCFLO