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(c1cccc2c1nc1ccccc1c2NC1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1	ZINC000028571070	563070930	/nfs/dbraw/zinc/07/09/30/563070930.db2.gz	MJOHBXRYOBCFRN-UHFFFAOYSA-N	1	3	480.612	4.937	1	10		JJCFHO
CC(=O)Nc1ccc2c(c1)nc1ccccc1c2Nc1ccc(NS(=O)(=O)CCCC[NH3+])cc1	ZINC000026836948	563036673	/nfs/dbraw/zinc/03/66/73/563036673.db2.gz	KSYXWHMUUQUIFQ-UHFFFAOYSA-N	1	3	477.590	4.571	1	10		JJCFHO
CN1CCN(C(=O)c2ccc3c(c2)nc2ccccc2c3NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000028569650	563070596	/nfs/dbraw/zinc/07/05/96/563070596.db2.gz	OKHVQTVUXLMYTQ-UHFFFAOYSA-N	1	3	493.655	4.852	1	10		JJCFHO
CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000026958940	563038130	/nfs/dbraw/zinc/03/81/30/563038130.db2.gz	WDMNVEQVXDUFIS-UHFFFAOYSA-N	1	3	455.563	4.839	1	10		JJCFHO
CN1CCN(C(=O)c2cccc3c2nc2ccccc2c3NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000028572110	563071209	/nfs/dbraw/zinc/07/12/09/563071209.db2.gz	DEBBESMZTBVTSU-UHFFFAOYSA-N	1	3	493.655	4.852	1	10		JJCFHO