smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CNC(=O)[C@@]2(CCCO2)C[NH2+]C(C)(C)CNC(=O)[C@@]2(CCCO2)C[NH2+]1	ZINC000005741503	204150789	/nfs/dbraw/zinc/15/07/89/204150789.db2.gz	YCZKKAACHGXNQZ-WOJBJXKFSA-N	2	2	396.532	0.067	1	0		GCAFLP
O=c1cc(N2CC[NH2+]CC2)nc2n(CC[NH+]3CCOCC3)c3ccccc3n21	ZINC000095591088	136182385	/nfs/dbraw/zinc/18/23/85/136182385.db2.gz	WKPGKQGFMCFOMH-UHFFFAOYSA-N	2	2	382.468	0.391	1	0		GCAFLP
O=C([C@@H]1C[C@H](N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C[NH2+]1)N1CCSC1	ZINC000084687265	211174138	/nfs/dbraw/zinc/17/41/38/211174138.db2.gz	TVLHLTARSTYOGC-YOEHRIQHSA-N	2	2	386.525	0.948	1	0		GCAFLP
CC1(C)CNC(=O)[C@]2(CCCO2)C[NH2+]C(C)(C)CNC(=O)[C@@]2(CCCO2)C[NH2+]1	ZINC000005741506	204150632	/nfs/dbraw/zinc/15/06/32/204150632.db2.gz	YCZKKAACHGXNQZ-BGYRXZFFSA-N	2	2	396.532	0.067	1	0		GCAFLP
[NH3+][C@H]1CN(c2cc(N3CCc4nocc4C3)[nH+]cn2)C[C@@H]1N1CCCCC1=O	ZINC000066078726	136164320	/nfs/dbraw/zinc/16/43/20/136164320.db2.gz	FMEOYYNNCIVCTM-HOCLYGCPSA-N	2	2	383.456	0.556	1	0		GCAFLP