smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004654836	560199288	/nfs/dbraw/zinc/19/92/88/560199288.db2.gz	RSHMQGIMHQPMEB-MGAJPHDKSA-N	1	2	408.484	-1.467	1	0	in-vitro	HAAFLO
C[C@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004654836	560199287	/nfs/dbraw/zinc/19/92/87/560199287.db2.gz	RSHMQGIMHQPMEB-MGAJPHDKSA-N	1	2	408.484	-1.467	1	0	in-vitro	HAAFLO
NC(=O)OC[C@@H]1[C@@H]2NC(=[NH2+])N[C@@]23N(C[C@@H](OS(=O)(=O)[O-])C3(O)O)C(=[NH2+])N1O	ZINC000014508345	291159683	/nfs/dbraw/zinc/15/96/83/291159683.db2.gz	CETRDCWBMBILAL-NUELXLSOSA-N	1	2	411.353	-4.533	1	0	endogenous,in-man	HAAFLO
NC(=O)OC[C@H]1[C@H]2NC(=[NH2+])N[C@@]23N(C[C@H](OS(=O)(=O)[O-])C3(O)O)C(=[NH2+])N1O	ZINC000138792825	560045379	/nfs/dbraw/zinc/04/53/79/560045379.db2.gz	CETRDCWBMBILAL-GNCACROUSA-N	1	2	411.353	-4.743	1	0	endogenous,in-man	HAAFLO
NC(=O)OC[C@H]1[C@H]2NC(=[NH2+])N[C@@]23N(C[C@@H](OS(=O)(=O)[O-])C3(O)O)C(=[NH2+])N1O	ZINC000138792959	560045357	/nfs/dbraw/zinc/04/53/57/560045357.db2.gz	CETRDCWBMBILAL-AFCWFEKTSA-N	1	2	411.353	-4.743	1	0	endogenous,in-man	HAAFLO
NC(=O)OC[C@H]1[C@H]2NC(=[NH2+])N[C@]23N(C[C@H](OS(=O)(=O)[O-])C3(O)O)C(=[NH2+])N1O	ZINC000138793099	560045372	/nfs/dbraw/zinc/04/53/72/560045372.db2.gz	CETRDCWBMBILAL-LUMVGBRKSA-N	1	2	411.353	-4.743	1	0	endogenous,in-man	HAAFLO
NC(=O)OC[C@H]1[C@H]2NC(=[NH2+])N[C@]23N(C[C@@H](OS(=O)(=O)[O-])C3(O)O)C(=[NH2+])N1O	ZINC000138793224	560045354	/nfs/dbraw/zinc/04/53/54/560045354.db2.gz	CETRDCWBMBILAL-JVJCOLAWSA-N	1	2	411.353	-4.743	1	0	endogenous,in-man	HAAFLO