smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000005579706	562934240	/nfs/dbraw/zinc/93/42/40/562934240.db2.gz	SNPCXTCFGZFRLT-HKWRFOASSA-N	0	2	476.539	4.371	1	10		JICFLN
Cc1oc2c(ccc3c2C(=O)c2c(O)c(Br)ccc2C3=O)c(=O)c1Br	ZINC000029038299	563090734	/nfs/dbraw/zinc/09/07/34/563090734.db2.gz	LWLNENVJPZQTDS-UHFFFAOYSA-N	0	2	464.065	4.107	1	10		JICFLN
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1O)[N@@H+](CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029467966	563104364	/nfs/dbraw/zinc/10/43/64/563104364.db2.gz	LDZGAMNZMSXJDP-FTJBHMTQSA-N	0	2	463.486	4.107	1	10		JICFLN
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1O)[N@H+](CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029467966	563104366	/nfs/dbraw/zinc/10/43/66/563104366.db2.gz	LDZGAMNZMSXJDP-FTJBHMTQSA-N	0	2	463.486	4.107	1	10		JICFLN
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1O)[N@@H+](CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029468454	563104339	/nfs/dbraw/zinc/10/43/39/563104339.db2.gz	LDZGAMNZMSXJDP-CLJLJLNGSA-N	0	2	463.486	4.107	1	10		JICFLN
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1O)[N@H+](CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029468454	563104341	/nfs/dbraw/zinc/10/43/41/563104341.db2.gz	LDZGAMNZMSXJDP-CLJLJLNGSA-N	0	2	463.486	4.107	1	10		JICFLN
Oc1cc(Cc2c(O)cc(O)c(Br)c2O)c(Br)c(Br)c1O	ZINC000014829006	563006454	/nfs/dbraw/zinc/00/64/54/563006454.db2.gz	ILWIINNNOSHNIH-UHFFFAOYSA-N	0	2	484.922	4.093	1	10		JICFLN
Cc1c(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)c(C(F)(F)F)cc(-c2ccccc2)[n+]1[O-]	ZINC000034892874	563117459	/nfs/dbraw/zinc/11/74/59/563117459.db2.gz	ZGFBHWLVMLOEPQ-UHFFFAOYSA-N	0	2	474.351	4.351	1	10		JICFLN
COc1cc([C@H]2CC(=O)Cc3c(O)c4c(O)c5ccccc5c(O)c4c(O)c32)cc(OC)c1OC	ZINC000026752360	563035340	/nfs/dbraw/zinc/03/53/40/563035340.db2.gz	VLQWOHNGEHGWDJ-HLIPFELVSA-N	0	2	476.481	4.035	1	10		JICFLN
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3F)cc2)c(F)c1	ZINC000040412600	563140969	/nfs/dbraw/zinc/14/09/69/563140969.db2.gz	YIRXVKNEOCVYNQ-UHFFFAOYSA-N	0	2	452.504	4.183	1	10		JICFLN