smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)c(=O)n(C)c1=O	ZINC000009253365	553227796	/nfs/dbraw/zinc/22/77/96/553227796.db2.gz	AKXRJEAGCDCREO-XSFOEPMVSA-N	0	2	521.530	0.247	50	30		KCEALN
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)c(=O)n(C)c1=O	ZINC000009253368	553227781	/nfs/dbraw/zinc/22/77/81/553227781.db2.gz	AKXRJEAGCDCREO-LNENJAERSA-N	0	2	521.530	0.247	50	30		KCEALN
CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCN(C)CC4)ccc2-3)CC1	ZINC000019287610	553613105	/nfs/dbraw/zinc/61/31/05/553613105.db2.gz	IDKUGTHARHYDKV-UHFFFAOYSA-N	0	2	519.649	0.766	50	30		KCEALN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)C[NH+]5CCCC5)cc(F)c4C[C@H]3C[C@@H]12	ZINC000068246816	562716172	/nfs/dbraw/zinc/71/61/72/562716172.db2.gz	HLFSMUUOKPBTSM-ISIOAQNYSA-N	0	2	558.563	0.294	50	30	investigational	KCEALN