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)OCCN(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCCNC(=O)c1cccnc1	ZINC000038154207	562067859	/nfs/dbraw/zinc/06/78/59/562067859.db2.gz	LLSCGYJBRFPVJX-BSSRNLCFSA-N	1	3	537.573	3.143	1	5		KGBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCCNC(=O)c1cccnc1	ZINC000038154208	562067854	/nfs/dbraw/zinc/06/78/54/562067854.db2.gz	LLSCGYJBRFPVJX-GUNDDFSMSA-N	1	3	537.573	3.143	1	5		KGBFHO
COc1ccccc1CNCCCn1c(=O)c2ccc3c(=O)n(CCC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34	ZINC000049723161	562672990	/nfs/dbraw/zinc/67/29/90/562672990.db2.gz	VZNYTHOXJDQFEC-UHFFFAOYSA-N	1	3	620.706	3.443	1	5		KGBFHO
C[NH+](C)CCCNc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc(NCCc2ccc([N+](=O)[O-])cc2)n1	ZINC000073200556	562736174	/nfs/dbraw/zinc/73/61/74/562736174.db2.gz	XJQCPLPOXZGDEB-UHFFFAOYSA-N	1	3	509.571	3.361	1	5		KGBFHO