smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102535104	130189737	/nfs/dbraw/zinc/18/97/37/130189737.db2.gz	AIOUCPAKLXVZIR-UGUGFTGJSA-N	0	3	468.550	3.476	10	30		JGEEHN
C=CCN1C[C@H](C(=O)N(CCC[N+](C)(C)[O-])C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000077285155	569705320	/nfs/dbraw/zinc/70/53/20/569705320.db2.gz	MWKMKARCRODSLP-KJXAQDMKSA-N	0	3	467.614	3.207	10	30	in-vitro	JGEEHN
C=CCN1C[C@H](C(=O)N(CCC[N+](C)(C)[O-])C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000575627208	717184174	/nfs/dbraw/zinc/18/41/74/717184174.db2.gz	PVSISCRNUVGVEK-UNWVZKJWSA-O	0	3	468.622	3.098	10	30		JGEEHN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102535097	130189874	/nfs/dbraw/zinc/18/98/74/130189874.db2.gz	AIOUCPAKLXVZIR-FEYWKWKCSA-N	0	3	468.550	3.476	10	30		JGEEHN