smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1cc(O)c2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000005648308	562944445	/nfs/dbraw/zinc/94/44/45/562944445.db2.gz	ZZNHIVUWFISETD-OAHLLOKOSA-N	0	3	438.524	3.042	10	10		IGCEHN
CN(C)CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000033556904	563084591	/nfs/dbraw/zinc/08/45/91/563084591.db2.gz	VHGWZOGCWPNMEG-SDNWHVSQSA-N	0	3	443.388	3.145	10	10		IGCEHN
CCN(CC)CCNc1ccc(NCCN(CC)CC)c2c1C(=O)c1cccnc1C2=O	ZINC000040465689	563103877	/nfs/dbraw/zinc/10/38/77/563103877.db2.gz	VMFVEAAEOCHMCA-UHFFFAOYSA-N	0	3	437.588	3.364	10	10		IGCEHN
CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1cc(O)c2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000017122101	563021384	/nfs/dbraw/zinc/02/13/84/563021384.db2.gz	ZZNHIVUWFISETD-HNNXBMFYSA-N	0	3	438.524	3.042	10	10		IGCEHN
CCN(CC)CCNc1ccc(NCCN(CC)CC)c2c1C(=O)c1ccncc1C2=O	ZINC000022040806	563025467	/nfs/dbraw/zinc/02/54/67/563025467.db2.gz	RYVCCAAEYHBAFO-UHFFFAOYSA-N	0	3	437.588	3.364	10	10		IGCEHN