smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCN1CCCCC1)c1ccc(NCC[NH+]2CCCCC2)c2cc3ccccc3nc12	ZINC000027527186	563045716	/nfs/dbraw/zinc/04/57/16/563045716.db2.gz	CKVXICKPXKRPHH-UHFFFAOYSA-N	1	3	459.638	4.502	1	5		JJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000027524933	563045385	/nfs/dbraw/zinc/04/53/85/563045385.db2.gz	JKMMYHRKBNRZLP-ZZIWUOEGSA-N	1	3	479.533	4.518	1	5		JJBFHO
C=C1[NH2+]C(=C)C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000022009607	563016730	/nfs/dbraw/zinc/01/67/30/563016730.db2.gz	XEMMMYRHLQVPBM-SOFPGWOFSA-N	1	3	491.544	4.661	1	5		JJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000000601265	560178481	/nfs/dbraw/zinc/17/84/81/560178481.db2.gz	VYHIJYQMAJYKEO-UVDRRRQGSA-N	1	3	479.533	4.518	3	5	in-vitro	JJBFHO
C=C1[NH2+]C(=C)C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000021297271	563016635	/nfs/dbraw/zinc/01/66/35/563016635.db2.gz	XEMMMYRHLQVPBM-ZSMKPUFPSA-N	1	3	491.544	4.661	1	5		JJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OC	ZINC000027524934	563045466	/nfs/dbraw/zinc/04/54/66/563045466.db2.gz	JKMMYHRKBNRZLP-UVDRRRQGSA-N	1	3	479.533	4.518	1	5		JJBFHO