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]([NH3+])C(=O)N[C@@H](Cc1ccc(I)cc1)C([O-])=C[N+]#N	ZINC000040405789	205064225	/nfs/dbraw/zinc/06/42/25/205064225.db2.gz	UFLVBAHRXSEHDC-KWQFWETISA-N	1	0	386.193	0.535	1	10		GCCFRO
O[C@H]1C[N@@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1N1CCOCC1	ZINC000020202893	136202674	/nfs/dbraw/zinc/20/26/74/136202674.db2.gz	ZUEGHKWTEFHPMY-ROUUACIJSA-N	1	0	375.469	0.761	1	10		GCCFRO
COC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1[NH2+][C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(C)C	ZINC000096933363	211353268	/nfs/dbraw/zinc/35/32/68/211353268.db2.gz	FOXTURWICNFWCC-URBCHYCLSA-N	1	0	395.424	0.384	1	10		GCCFRO
COC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1[NH2+][C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(C)C	ZINC000096933362	208330289	/nfs/dbraw/zinc/33/02/89/208330289.db2.gz	FOXTURWICNFWCC-JULQROHOSA-N	1	0	395.424	0.384	1	10		GCCFRO
CC(C)C[C@H](NC(=O)[C@@H]1[NH2+][C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	ZINC000096933360	208329538	/nfs/dbraw/zinc/32/95/38/208329538.db2.gz	MNSKYKFWLSTIJP-SRRSOLGSSA-N	1	0	394.440	0.086	1	10		GCCFRO
CC(C)C[C@H](NC(=O)[C@H]1[NH2+][C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	ZINC000096933361	208329433	/nfs/dbraw/zinc/32/94/33/208329433.db2.gz	MNSKYKFWLSTIJP-BLFANLJRSA-N	1	0	394.440	0.086	1	10		GCCFRO