smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)c1	ZINC000045974725	524187146	/nfs/dbraw/zinc/18/71/46/524187146.db2.gz	VHNVZDZALBYMDY-UHFFFAOYSA-N	2	0	422.595	1.212	10	0		HDAERP
COc1ccc(C(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1OC	ZINC000015864152	569016348	/nfs/dbraw/zinc/01/63/48/569016348.db2.gz	QYRHIDPGCWDAKM-UHFFFAOYSA-N	2	0	418.538	1.064	10	0		HDAERP
CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCOc2nonc2C)ccc1OC	ZINC000012429248	568721869	/nfs/dbraw/zinc/72/18/69/568721869.db2.gz	WMMXDUSVPOOCKN-QGZVFWFLSA-N	2	0	408.499	1.637	10	0		HDAERP
CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCOc2nonc2C)ccc1OC	ZINC000012429249	568721880	/nfs/dbraw/zinc/72/18/80/568721880.db2.gz	WMMXDUSVPOOCKN-KRWDZBQOSA-N	2	0	408.499	1.637	10	0		HDAERP
CCOc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000033032707	571309004	/nfs/dbraw/zinc/30/90/04/571309004.db2.gz	AIROKJPROIFHRX-UHFFFAOYSA-N	2	0	416.566	1.835	10	0		HDAERP
CC[NH+](CC)CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1	ZINC000045974276	520642855	/nfs/dbraw/zinc/64/28/55/520642855.db2.gz	DBQFQAORQOFMBB-UHFFFAOYSA-N	2	0	410.584	1.068	10	0		HDAERP
C[NH+](C)CCNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000023359120	558551387	/nfs/dbraw/zinc/55/13/87/558551387.db2.gz	BCSCIFKEIHLIFM-XZOQPEGZSA-N	3	0	415.626	1.583	10	0		HDAERP
CC(C)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1	ZINC000012281022	558365229	/nfs/dbraw/zinc/36/52/29/558365229.db2.gz	FAJJFBTXYNKUGG-RBBKRZOGSA-N	2	0	408.631	1.998	10	0		HDAERP