smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1[C@@H](O)[C@H]([NH3+])[C@@H](O[C@H]2CCC[C@H]([C@H](C)[NH3+])O2)[C@H](O)[C@@H]1N(C)C(=O)CN	ZINC000064548903	222073496	/nfs/dbraw/zinc/07/34/96/222073496.db2.gz	NFDZYFNCGOKALW-ARIWEMRGSA-N	2	3	390.481	-2.523	1	0		GAAFHP
NCCC[NH2+]CCCC[NH2+]C[C@H](O)NC(=O)C[C@@H](O)CCCCNC(N)=[NH2+]	ZINC000071341490	205283241	/nfs/dbraw/zinc/28/32/41/205283241.db2.gz	YZMBJIBYULJNRB-HOCLYGCPSA-N	3	3	389.545	-1.866	1	0		GAAFHP
CC(C)(C)OC(=O)NCCN(CCC(=O)NCC[NH3+])CCC(=O)NCC[NH3+]	ZINC000096928716	211352767	/nfs/dbraw/zinc/35/27/67/211352767.db2.gz	SSURCBKLMBDXDL-UHFFFAOYSA-N	2	3	388.513	-1.257	1	0		GAAFHP