smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000027524933	563045384	/nfs/dbraw/zinc/04/53/84/563045384.db2.gz	JKMMYHRKBNRZLP-ZZIWUOEGSA-N	2	1	479.533	4.518	1	5		JJBFMP
C=C1[NH2+]C(=C)C(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000022009607	563016729	/nfs/dbraw/zinc/01/67/29/563016729.db2.gz	XEMMMYRHLQVPBM-SOFPGWOFSA-N	2	1	491.544	4.661	1	5		JJBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000000601265	560178480	/nfs/dbraw/zinc/17/84/80/560178480.db2.gz	VYHIJYQMAJYKEO-UVDRRRQGSA-N	2	1	479.533	4.518	3	5	in-vitro	JJBFMP
C=C1[NH2+]C(=C)C(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000021297271	563016632	/nfs/dbraw/zinc/01/66/32/563016632.db2.gz	XEMMMYRHLQVPBM-ZSMKPUFPSA-N	2	1	491.544	4.661	1	5		JJBFMP
C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000027524934	563045464	/nfs/dbraw/zinc/04/54/64/563045464.db2.gz	JKMMYHRKBNRZLP-UVDRRRQGSA-N	2	1	479.533	4.518	1	5		JJBFMP