smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](NC(=O)c1cccc(OC)c1O)c1ccccc1	ZINC000217029212	333118926	/nfs/dbraw/zinc/11/89/26/333118926.db2.gz	PXWVLTXWEVZRMQ-OAHLLOKOSA-N	-1	0	299.370	3.672	20	70		CHIDRM
CC(C)CONC(=O)Nc1cccc(CC(F)(F)F)c1	ZINC000160631584	261220568	/nfs/dbraw/zinc/22/05/68/261220568.db2.gz	NKEYWOJXMCSNBH-UHFFFAOYSA-N	-1	0	290.285	3.501	20	70		CHIDRM
CC(C)CCN(CCC(C)C)C(=O)c1cccc(O)c1	ZINC000218095632	328192659	/nfs/dbraw/zinc/19/26/59/328192659.db2.gz	OPGBOFVDEXGULH-UHFFFAOYSA-N	-1	0	277.408	3.927	20	70		CHIDRM
CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CCCC1	ZINC000159569986	261189017	/nfs/dbraw/zinc/18/90/17/261189017.db2.gz	GOOOGNSKZQZLQS-UHFFFAOYSA-N	-1	0	285.746	3.589	20	70		CHIDRM
CCCC[C@H](CC)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000218085295	333126740	/nfs/dbraw/zinc/12/67/40/333126740.db2.gz	KDKOSAYUMNKEFI-NSHDSACASA-N	-1	0	283.799	3.992	20	70		CHIDRM
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000218010730	328166295	/nfs/dbraw/zinc/16/62/95/328166295.db2.gz	BNVAXEXPZAXCIQ-GHMZBOCLSA-N	-1	0	281.783	3.602	20	70		CHIDRM
Cc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)[nH]1	ZINC000160942781	264267608	/nfs/dbraw/zinc/26/76/08/264267608.db2.gz	WZQFGJIMKPLTNG-UHFFFAOYSA-N	-1	0	286.375	3.887	20	70		CHIDRM