smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028087596	561899425	/nfs/dbraw/zinc/89/94/25/561899425.db2.gz	JFGLTJFEVVIJJN-CQJMVLFOSA-N	0	1	671.777	0.070	1	5		KCBFMN
NC(=[NH2+])N1CCN(c2ccc(C(=O)NC[C@H](NS(=O)(=O)c3c(O)ccc4ccccc43)C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000028526189	561931973	/nfs/dbraw/zinc/93/19/73/561931973.db2.gz	JQVNOQWITDASST-SFHVURJKSA-N	0	1	585.599	0.631	1	5		KCBFMN
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(C)(C)C)C(N)=O	ZINC000029215977	562006447	/nfs/dbraw/zinc/00/64/47/562006447.db2.gz	OYRPYPPYADAWGF-MGKKLRQFSA-N	0	1	641.726	0.315	1	5		KCBFMN
CCN(C(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000043322916	562647768	/nfs/dbraw/zinc/64/77/68/562647768.db2.gz	DYSJVAITJUIKQC-YTFSRNRJSA-N	0	1	588.687	0.469	1	5		KCBFMN
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)SCCOCCSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1	ZINC000096922004	562801615	/nfs/dbraw/zinc/80/16/15/562801615.db2.gz	RUZLHYIFKXZKEC-YNDHVOHUSA-N	0	1	779.013	0.753	1	5		KCBFMN
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)SCCOCCSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1	ZINC000096922005	562801628	/nfs/dbraw/zinc/80/16/28/562801628.db2.gz	RUZLHYIFKXZKEC-PBBKVYRLSA-N	0	1	779.013	0.753	1	5		KCBFMN