smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000013531432	201899201	/nfs/dbraw/zinc/89/92/01/201899201.db2.gz	HKTCWNTUEVRSHC-YUMQZZPRSA-N	1	1	332.365	-3.101	1	30		EAEFMO
NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000013799773	211640325	/nfs/dbraw/zinc/64/03/25/211640325.db2.gz	HKTCWNTUEVRSHC-JGVFFNPUSA-N	1	1	332.365	-3.101	1	30		EAEFMO
NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000027764384	202160094	/nfs/dbraw/zinc/16/00/94/202160094.db2.gz	QLHNGUCBVCLFHA-RNJXMRFFSA-N	1	1	330.349	-3.397	1	30		EAEFMO
CC[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=N)N)[C@H](O)[C@@H]1O	ZINC000029052415	202180737	/nfs/dbraw/zinc/18/07/37/202180737.db2.gz	UICFBMWXKSHXKU-WOUKDFQISA-N	1	1	336.356	-2.040	1	30		EAEFMO
NC(=O)[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-]	ZINC000040514651	213330555	/nfs/dbraw/zinc/33/05/55/213330555.db2.gz	QLHNGUCBVCLFHA-XLPZGREQSA-N	1	1	330.349	-3.397	1	30		EAEFMO
N#C[C@@H]1CSCN1C(=O)CN(N)C1CC[NH+](CC(N)=O)CC1	ZINC000049033725	213979941	/nfs/dbraw/zinc/97/99/41/213979941.db2.gz	JNWVMUITHOBBOL-LLVKDONJSA-N	1	1	326.426	-1.463	1	30		EAEFMO
NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H]1C[C@H](N)C[NH2+]1	ZINC000095539807	203761519	/nfs/dbraw/zinc/76/15/19/203761519.db2.gz	ZMBRPIKYQOGCJB-XLPZGREQSA-N	1	1	330.349	-3.478	1	30		EAEFMO