smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-]	ZINC001200046200	1067421911	/nfs/dbraw/zinc/42/19/11/1067421911.db2.gz	LGBWOILFEXAYAB-UHFFFAOYSA-N	2	0	459.594	4.400	20	5		JIBDRP
C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	ZINC001200680388	1069263758	/nfs/dbraw/zinc/26/37/58/1069263758.db2.gz	ALXUWJSRDHCPFK-UHFFFAOYSA-N	2	0	456.930	4.089	20	5		JIBDRP
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1	ZINC001338751762	1066570371	/nfs/dbraw/zinc/57/03/71/1066570371.db2.gz	QNHPZIBSHVNOTN-UHFFFAOYSA-N	2	0	455.946	4.205	20	5		JIBDRP
C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c2)CC1	ZINC001318348642	1067028035	/nfs/dbraw/zinc/02/80/35/1067028035.db2.gz	PBXOOLXIVNRMLV-UHFFFAOYSA-N	2	0	496.615	4.485	20	5		JIBDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cn2)CC1	ZINC001318346524	1067026626	/nfs/dbraw/zinc/02/66/26/1067026626.db2.gz	LKDSKNBDRWFMTJ-UHFFFAOYSA-N	2	0	455.946	4.335	20	5		JIBDRP