smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1N1CCN(c2ccccc2OC)CC1	ZINC000012159559	555929957	/nfs/dbraw/zinc/92/99/57/555929957.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	0	3	497.636	3.375	10	10		JGCEHN
COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1N1CCN(c2ccccc2OC)CC1	ZINC000012159559	555929961	/nfs/dbraw/zinc/92/99/61/555929961.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	0	3	497.636	3.375	10	10		JGCEHN
COc1ccc([O-])c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c1	ZINC000014989226	524736168	/nfs/dbraw/zinc/73/61/68/524736168.db2.gz	XYTRPQLVSLWGII-RPWUZVMVSA-N	0	3	456.608	3.484	10	10		JGCEHN
CCOC(=O)c1cnn2c1[nH]c(CN(C[C@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407065	195378828	/nfs/dbraw/zinc/37/88/28/195378828.db2.gz	NZHJFPOFSZRINQ-FQEVSTJZSA-N	0	3	478.549	3.415	10	10		JGCEHN
CCOC(=O)c1cnn2c1[nH]c(CN(C[C@@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407066	195378979	/nfs/dbraw/zinc/37/89/79/195378979.db2.gz	NZHJFPOFSZRINQ-HXUWFJFHSA-N	0	3	478.549	3.415	10	10		JGCEHN
COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c([O-])c1	ZINC000014884560	524025899	/nfs/dbraw/zinc/02/58/99/524025899.db2.gz	ZIJDETCRUOLWCT-RPWUZVMVSA-N	0	3	456.608	3.484	10	10		JGCEHN
COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC5)cc43)CC2)cc1	ZINC000065002090	524438859	/nfs/dbraw/zinc/43/88/59/524438859.db2.gz	MWXLRCNTCFTHDN-UHFFFAOYSA-N	0	3	459.594	3.396	10	10		JGCEHN