smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccccc1)N1CCc2c(Cl)c([O-])c(O)c(Cl)c2C1	ZINC000058581081	205277455	/nfs/dbraw/zinc/27/74/55/205277455.db2.gz	KXGLHDWZJMCBPY-VOTSOKGWSA-N	-1	1	364.228	4.003	1	10		FICFMM
CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1[O-]	ZINC000036388632	205014422	/nfs/dbraw/zinc/01/44/22/205014422.db2.gz	JVJAWGCRXJZXIW-AWEZNQCLSA-N	-1	1	351.189	4.066	3	10		FICFMM
COc1cc([O-])c([C@@H]2CCCCN2C)c2oc(-c3ccccc3)cc(=O)c12	ZINC000005922310	207123235	/nfs/dbraw/zinc/12/32/35/207123235.db2.gz	XLJBNMLKEZOFPM-HNNXBMFYSA-N	-1	1	365.429	4.331	1	10		FICFMM
CC(C)Oc1ccc(-c2cc(=O)c3c([O-])c(O)c(OC(C)C)cc3o2)cc1	ZINC000103207992	209248370	/nfs/dbraw/zinc/24/83/70/209248370.db2.gz	OZLAQEFGBIKBQU-UHFFFAOYSA-N	-1	1	370.401	4.446	1	10		FICFMM
CC(C)Oc1ccc(-c2cc([O-])c3c(=O)c(O)c(OC(C)C)cc-3o2)cc1	ZINC000103207992	209248374	/nfs/dbraw/zinc/24/83/74/209248374.db2.gz	OZLAQEFGBIKBQU-UHFFFAOYSA-N	-1	1	370.401	4.446	1	10		FICFMM
CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1[O-]	ZINC000036380899	208159278	/nfs/dbraw/zinc/15/92/78/208159278.db2.gz	JVJAWGCRXJZXIW-CQSZACIVSA-N	-1	1	351.189	4.066	3	10		FICFMM
COc1c2c(=O)cc(-c3ccccc3)oc2cc([O-])c1[C@@H]1CCCCN1C	ZINC000069482464	291081534	/nfs/dbraw/zinc/08/15/34/291081534.db2.gz	RKSINLCJJKCDFI-HNNXBMFYSA-N	-1	1	365.429	4.331	1	10	biogenic,in-vitro	FICFMM
COc1cc([O-])c([C@H]2CCCCN2C)c2oc(-c3ccccc3)cc(=O)c12	ZINC000001653934	210179532	/nfs/dbraw/zinc/17/95/32/210179532.db2.gz	XLJBNMLKEZOFPM-OAHLLOKOSA-N	-1	1	365.429	4.331	1	10		FICFMM
CC(C)=CCCc1c(O)c2c(c([O-])c1Cl)C(=O)c1ccccc1C2=O	ZINC000014491143	291079839	/nfs/dbraw/zinc/07/98/39/291079839.db2.gz	OMNIOLUJTUKRAH-UHFFFAOYSA-N	-1	1	356.805	4.425	1	10	biogenic,in-vitro	FICFMM