smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c(CN2CCSCC2)cc(-c2ccccc2F)n1-c1ccccc1F	ZINC000045253370	205093563	/nfs/dbraw/zinc/09/35/63/205093563.db2.gz	FQMHVKAKHSWHFG-UHFFFAOYSA-N	0	1	398.522	5.534	1	10		GKCFMN
CC(C)(C)c1cc(-c2cc(-c3ccc(O)c(O)c3)n[nH]2)cc(C(C)(C)C)c1O	ZINC000026657675	207317429	/nfs/dbraw/zinc/31/74/29/207317429.db2.gz	WOKZVQDMGCDCRO-UHFFFAOYSA-N	0	1	380.488	5.456	1	10		GKCFMN
COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(NC(C)=O)c3)c2c1	ZINC000072107778	222205759	/nfs/dbraw/zinc/20/57/59/222205759.db2.gz	VNOFLJCOOOXXLT-UHFFFAOYSA-N	0	1	391.858	5.752	1	10		GKCFMN
COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)[N@H+](C)[C@H](C)C4)c(C)cc(OC)c12	ZINC000005849387	209191098	/nfs/dbraw/zinc/19/10/98/209191098.db2.gz	ZSYADESMHZOJRK-HZPDHXFCSA-N	0	1	391.511	5.475	1	10		GKCFMN
COc1cccc2c(-c3ccc4c(c3[O-])[C@@H](C)[N@@H+](C)[C@H](C)C4)c(C)cc(OC)c12	ZINC000005849387	209191103	/nfs/dbraw/zinc/19/11/03/209191103.db2.gz	ZSYADESMHZOJRK-HZPDHXFCSA-N	0	1	391.511	5.475	1	10		GKCFMN
COc1cccc2c(-c3ccc4c(c3[O-])[C@@H](C)[N@H+](C)[C@H](C)C4)c(C)cc(OC)c12	ZINC000005849387	209191105	/nfs/dbraw/zinc/19/11/05/209191105.db2.gz	ZSYADESMHZOJRK-HZPDHXFCSA-N	0	1	391.511	5.475	1	10		GKCFMN
CC[NH+](CC)Cc1c([O-])c(OC)cc2nc3c(cc21)CSc1ccccc1-3	ZINC000043065955	221947204	/nfs/dbraw/zinc/94/72/04/221947204.db2.gz	UKPCHMJOFSEKSF-UHFFFAOYSA-N	0	1	380.513	5.064	1	10		GKCFMN
Cc1cc(=O)c2ccc([O-])c(C[NH+](Cc3ccccc3)Cc3ccccc3)c2o1	ZINC000064503664	222072818	/nfs/dbraw/zinc/07/28/18/222072818.db2.gz	DFCZWSVERKMCIP-UHFFFAOYSA-N	0	1	385.463	5.009	1	10		GKCFMN
CCOc1ccccc1Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000072107223	222206119	/nfs/dbraw/zinc/20/61/19/222206119.db2.gz	YDUKPOBQKGVCTO-UHFFFAOYSA-N	0	1	378.859	6.192	1	10		GKCFMN
Cc1c(CN2CCSCC2)cc(-c2ccccc2F)n1-c1ccc(F)cc1	ZINC000036471842	205017788	/nfs/dbraw/zinc/01/77/88/205017788.db2.gz	YROLPKQXEBZIOC-UHFFFAOYSA-N	0	1	384.495	5.280	1	10		GKCFMN
Cc1cc(=O)c2ccc([O-])c(C[N@@H+](CCc3ccccc3)Cc3ccccc3)c2o1	ZINC000064516726	205190553	/nfs/dbraw/zinc/19/05/53/205190553.db2.gz	BIGYFFNTWRBEOK-UHFFFAOYSA-N	0	1	399.490	5.052	1	10		GKCFMN
CCOc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc32)cc1	ZINC000072106135	205303437	/nfs/dbraw/zinc/30/34/37/205303437.db2.gz	LSPNSZBITYBDQU-UHFFFAOYSA-N	0	1	378.859	6.192	1	10		GKCFMN
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3N(C)C)c2c1	ZINC000053194075	205135392	/nfs/dbraw/zinc/13/53/92/205135392.db2.gz	MZVCZPBVKVTDHL-UHFFFAOYSA-N	0	1	377.875	5.860	1	10		GKCFMN
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[NH+]1CCC(c2ccccc2)CC1	ZINC000103262350	222493741	/nfs/dbraw/zinc/49/37/41/222493741.db2.gz	ATPQXVGCWQDZIF-UHFFFAOYSA-N	0	1	397.518	6.109	1	10		GKCFMN