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](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040459797	174269811	/nfs/dbraw/zinc/26/98/11/174269811.db2.gz	FKWKTIQFLAXRHJ-CBAPKCEASA-N	0	3	254.286	-0.535	10	10		CBCEHN
CS(=O)(=O)NCC[NH2+]Cc1ccc(O)cc1[O-]	ZINC000020203081	171067507	/nfs/dbraw/zinc/06/75/07/171067507.db2.gz	WEXNIOPFJUIYOV-UHFFFAOYSA-N	0	3	260.315	-0.263	10	10		CBCEHN
COC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040464095	174273358	/nfs/dbraw/zinc/27/33/58/174273358.db2.gz	XYSHRTVTLSBBLU-QMMMGPOBSA-N	0	3	268.269	-0.743	10	10		CBCEHN
CS(=O)(=O)NCCNCc1cc2c(cc1O)OCO2	ZINC000042879591	351439618	/nfs/dbraw/zinc/43/96/18/351439618.db2.gz	AJKHLKBXRGBOSI-UHFFFAOYSA-N	0	3	288.325	-0.240	10	10		CBCEHN
COCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040457777	174267948	/nfs/dbraw/zinc/26/79/48/174267948.db2.gz	YREDXNRUDXMJHM-VIFPVBQESA-N	0	3	254.286	-0.270	10	10		CBCEHN
CN(CC(=O)N1CCNCC1)Cc1ccc(O)cc1O	ZINC000038031079	174024487	/nfs/dbraw/zinc/02/44/87/174024487.db2.gz	VTOYKUFOXURQIG-UHFFFAOYSA-N	0	3	279.340	-0.039	10	10		CBCEHN
C[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040459799	174269724	/nfs/dbraw/zinc/26/97/24/174269724.db2.gz	FKWKTIQFLAXRHJ-APPZFPTMSA-N	0	3	254.286	-0.535	10	10		CBCEHN