smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CCC(=O)[O-])(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1	ZINC000001640026	569287862	/nfs/dbraw/zinc/28/78/62/569287862.db2.gz	RXARJPRVMJJOJO-UHFFFAOYSA-N	-1	2	424.107	5.882	50	0		HKAALM
O=C(Nc1cc(Cl)cc(Cl)c1O)c1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000002038733	557300059	/nfs/dbraw/zinc/30/00/59/557300059.db2.gz	JYWIYHUXVMAGLG-UHFFFAOYSA-N	-1	2	401.460	5.617	50	0	in-man	HKAALM
O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000005059802	557632388	/nfs/dbraw/zinc/63/23/88/557632388.db2.gz	ZLNFWMOTYBDNLO-UHFFFAOYSA-N	-1	2	402.233	5.317	50	0		HKAALM
C[N@H+](Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1	ZINC000007900915	569320163	/nfs/dbraw/zinc/32/01/63/569320163.db2.gz	LWRJAADQIUPAGK-UHFFFAOYSA-N	-1	2	413.905	5.076	50	0		HKAALM
CCc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000008595555	571087491	/nfs/dbraw/zinc/08/74/91/571087491.db2.gz	MKTGXEHXRMZICT-XMMPIXPASA-N	-1	2	423.472	5.087	50	0		HKAALM
CCc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000008595556	571087442	/nfs/dbraw/zinc/08/74/42/571087442.db2.gz	MKTGXEHXRMZICT-DEOSSOPVSA-N	-1	2	423.472	5.087	50	0		HKAALM
CCCc1cc2c(cc1O)oc(CCCC(=O)[O-])c(-c1nc3ccccc3s1)c2=O	ZINC000011867633	569399066	/nfs/dbraw/zinc/39/90/66/569399066.db2.gz	HZSKDUYSPWWEQO-UHFFFAOYSA-N	-1	2	423.490	5.135	50	0		HKAALM
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO[P@@](=O)([O-])O	ZINC000096024603	568685937	/nfs/dbraw/zinc/68/59/37/568685937.db2.gz	LXYBOYDBLJXOBR-HZJYTTRNSA-N	-1	2	403.500	5.025	50	0	in-vitro	HKAALM
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO[P@](=O)([O-])O	ZINC000096024603	568685938	/nfs/dbraw/zinc/68/59/38/568685938.db2.gz	LXYBOYDBLJXOBR-HZJYTTRNSA-N	-1	2	403.500	5.025	50	0	in-vitro	HKAALM