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)CCCNC(=S)N/N=C1\C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3	ZINC000020608600	520623088	/nfs/dbraw/zinc/62/30/88/520623088.db2.gz	ZSKPETNMNRRBAG-NJNXFGOHSA-N	2	1	428.650	1.737	10	30		IDEEMP
C=CC[N@H+]1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2C(C)=C3C(=C)[NH2+]C=C3C[C@H]21	ZINC000100764489	568803546	/nfs/dbraw/zinc/80/35/46/568803546.db2.gz	MNDMRWBGBXWMDE-YPAWHYETSA-N	3	1	441.620	1.154	10	30	in-vitro	IDEEMP