smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(N2CCO[C@H](CN(C)C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000002004562	132248471	/nfs/dbraw/zinc/24/84/71/132248471.db2.gz	HPXHHPSHSQYSGC-CYBMUJFWSA-N	-1	1	419.453	1.949	1	0		HDAFMM
C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2O[C@@]1(C)CCO	ZINC000085595322	291187560	/nfs/dbraw/zinc/18/75/60/291187560.db2.gz	MKEYVPAWAVBPHB-SYOCAYEVSA-N	-1	1	404.415	1.945	1	0	biogenic,in-vitro	HDAFMM
CC[C@@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000085589339	571784902	/nfs/dbraw/zinc/78/49/02/571784902.db2.gz	HVPPEXXUDXAPOM-PILAGYSTSA-N	-1	1	407.511	1.408	1	0	endogenous,in-man	HDAFMM
O=C1[N-]C(=O)[C@@]2(CCS(=O)(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1	ZINC000028960229	581099555	/nfs/dbraw/zinc/09/95/55/581099555.db2.gz	GCZMDMHHGVIXIT-UHFFFAOYSA-N	-1	1	420.378	1.498	1	0		HDAFMM
COc1c(N2CCO[C@@H](CN(C)C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000003828789	132269034	/nfs/dbraw/zinc/26/90/34/132269034.db2.gz	HPXHHPSHSQYSGC-ZDUSSCGKSA-N	-1	1	419.453	1.949	1	0		HDAFMM
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000085589342	571784894	/nfs/dbraw/zinc/78/48/94/571784894.db2.gz	HVPPEXXUDXAPOM-LIRZEXBASA-N	-1	1	407.511	1.408	1	0	endogenous,in-man	HDAFMM
C[C@@H]1O[C@H](Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014854159	291197991	/nfs/dbraw/zinc/19/79/91/291197991.db2.gz	DCURCHSUQXPCGS-FKXPPBEWSA-N	-1	1	416.382	1.078	1	0	biogenic,in-vitro	HDAFMM
COc1cc(C(=O)[C@H](CO)Oc2ccc(CCCO)cc2OC)cc(OC)c1[O-]	ZINC000014515113	291195919	/nfs/dbraw/zinc/19/59/19/291195919.db2.gz	OBLZEQONZQCOAS-IBGZPJMESA-N	-1	1	406.431	1.966	1	0	biogenic,in-vitro	HDAFMM
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c([O-])cc2O)cc1	ZINC000014958419	581098933	/nfs/dbraw/zinc/09/89/33/581098933.db2.gz	OOHYJGNSESWEFT-UHFFFAOYSA-N	-1	1	422.850	1.719	1	0	in-vivo	HDAFMM
C[C@@H]1O[C@@H](Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013370550	291197985	/nfs/dbraw/zinc/19/79/85/291197985.db2.gz	DCURCHSUQXPCGS-COOCPZLMSA-N	-1	1	416.382	1.078	1	0	biogenic,in-vitro	HDAFMM
Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)cc2n(C)c1=O	ZINC000008594361	132330735	/nfs/dbraw/zinc/33/07/35/132330735.db2.gz	DUPNHJXCNUFQSS-UHFFFAOYSA-N	-1	1	420.466	1.654	1	0		HDAFMM