smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000001856866	206393623	/nfs/dbraw/zinc/39/36/23/206393623.db2.gz	MCZOQAVTLSACNL-KRWDZBQOSA-N	0	2	399.468	3.462	1	10		GGCFLN
CSCC[C@@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000017257070	207088017	/nfs/dbraw/zinc/08/80/17/207088017.db2.gz	MCZOQAVTLSACNL-QGZVFWFLSA-N	0	2	399.468	3.462	1	10		GGCFLN
C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@@H](OC(C)C)O2	ZINC000028652543	210530086	/nfs/dbraw/zinc/53/00/86/210530086.db2.gz	BNFPYGWOFGPTQR-XJDXJNMNSA-N	0	2	388.372	3.388	1	10	in-vitro	GGCFLN
CCc1cc(O)c2c(O)c3c(cc2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000013369107	212116446	/nfs/dbraw/zinc/11/64/46/212116446.db2.gz	SNPUAXHAZYUTDJ-UHFFFAOYSA-N	0	2	392.363	3.081	1	10		GGCFLN
O=C([O-])c1cc2cc(O)c(O)cc2c([C@H](O)c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000013490163	221270364	/nfs/dbraw/zinc/27/03/64/221270364.db2.gz	LVSILPXOGLUNCT-MRXNPFEDSA-N	0	2	379.290	3.445	1	10		GGCFLN
CC(C)C(=O)OCOC(=O)c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl	ZINC000049068036	221996272	/nfs/dbraw/zinc/99/62/72/221996272.db2.gz	NUZAARCKGCFLIV-UHFFFAOYSA-N	0	2	389.769	3.188	1	10		GGCFLN
COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1	ZINC000040894874	205073624	/nfs/dbraw/zinc/07/36/24/205073624.db2.gz	KDDXZFUQNCRZCD-VGOFMYFVSA-N	0	2	393.226	3.472	1	10		GGCFLN
COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1CN1CCOCC1	ZINC000049112295	205126560	/nfs/dbraw/zinc/12/65/60/205126560.db2.gz	KLFRQQKLDHGYOA-UHFFFAOYSA-N	0	2	391.851	3.126	1	10		GGCFLN
C[NH+](C)Cc1cc(C(=O)c2ccc(OCC(=O)[O-])c(Cl)c2Cl)ccc1O	ZINC000029342803	207360906	/nfs/dbraw/zinc/36/09/06/207360906.db2.gz	YNVJVHHYTUTYNU-UHFFFAOYSA-N	0	2	398.242	3.455	1	10		GGCFLN
CCCC(=O)OCOC(=O)c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl	ZINC000049114066	210861996	/nfs/dbraw/zinc/86/19/96/210861996.db2.gz	NNPPCROKHWSYCR-UHFFFAOYSA-N	0	2	389.769	3.332	1	10		GGCFLN