smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]314	ZINC000077301343	556998737	/nfs/dbraw/zinc/99/87/37/556998737.db2.gz	WNGBGHMTWYQBSD-DYERIDCBSA-N	1	0	426.533	2.526	10	5	in-vitro	IFBERO
COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069431	717195019	/nfs/dbraw/zinc/19/50/19/717195019.db2.gz	UNFCTLFLKCGAOK-UCFCWBNQSA-O	1	0	428.461	3.000	10	5	in-vitro	IFBERO
COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(c(O)c3[C@@H]1[C@H]2OC(C)=O)OCO4	ZINC000936069432	717195167	/nfs/dbraw/zinc/19/51/67/717195167.db2.gz	UNFCTLFLKCGAOK-WNOPAQSVSA-O	1	0	428.461	3.000	10	5	in-vitro	IFBERO
O=[N+]([O-])c1c2c(c(N3CC[NH2+]CC3)c([N+](=O)[O-])c1N1CCOCC1)Oc1ccccc1O2	ZINC000020533745	527323061	/nfs/dbraw/zinc/32/30/61/527323061.db2.gz	HLJGOHSGRKDWOG-UHFFFAOYSA-N	1	0	443.416	2.647	10	5		IFBERO
CC[NH+](CC)CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000027618892	563044467	/nfs/dbraw/zinc/04/44/67/563044467.db2.gz	WBVCXCZYDJYUPR-UHFFFAOYSA-N	1	0	429.882	2.785	10	5		IFBERO
CC(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@+](C)(CC2CC2)CC[C@]314	ZINC000306122576	717181899	/nfs/dbraw/zinc/18/18/99/717181899.db2.gz	WNGBGHMTWYQBSD-PICYFVNZSA-N	1	0	426.533	2.526	10	5		IFBERO
CC(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@@+](C)(CC2CC2)CC[C@]314	ZINC000306122575	717182008	/nfs/dbraw/zinc/18/20/08/717182008.db2.gz	WNGBGHMTWYQBSD-BLFAISQYSA-N	1	0	426.533	2.526	10	5		IFBERO
C[NH+](C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1	ZINC000004217144	569155439	/nfs/dbraw/zinc/15/54/39/569155439.db2.gz	HXRSXEDVVARPHP-NDENLUEZSA-N	1	0	434.518	2.758	10	5	in-man	IFBERO