smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc2c(cnc3ccc(C)cc23)c1O	ZINC000026508022	368861554	/nfs/dbraw/zinc/86/15/54/368861554.db2.gz	TXDJQSFEVOXSLT-UHFFFAOYSA-N	0	2	273.313	3.250	10	10		CGCELN
COC(=O)c1sc2c(cnc3c(C)cccc23)c1O	ZINC000045928508	292040986	/nfs/dbraw/zinc/04/09/86/292040986.db2.gz	WPRFLQMCDSWXLT-UHFFFAOYSA-N	0	2	273.313	3.250	10	10		CGCELN
COc1cc(C)c([N@H+](C)CCC(=O)[O-])cc1C(C)C	ZINC000076372182	177008463	/nfs/dbraw/zinc/00/84/63/177008463.db2.gz	SABQBRSJPBZJPA-UHFFFAOYSA-N	0	2	265.353	3.038	10	10		CGCELN
COc1cc(C)c([N@@H+](C)CCC(=O)[O-])cc1C(C)C	ZINC000076372182	177008465	/nfs/dbraw/zinc/00/84/65/177008465.db2.gz	SABQBRSJPBZJPA-UHFFFAOYSA-N	0	2	265.353	3.038	10	10		CGCELN
Cc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O	ZINC000179986686	373951241	/nfs/dbraw/zinc/95/12/41/373951241.db2.gz	ZGSFCWDVCOQWTA-HNNXBMFYSA-N	0	2	297.402	3.030	10	10		CGCELN
Cc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O	ZINC000179986686	373951247	/nfs/dbraw/zinc/95/12/47/373951247.db2.gz	ZGSFCWDVCOQWTA-HNNXBMFYSA-N	0	2	297.402	3.030	10	10		CGCELN
COC(=O)c1sc2c(cnc3c(F)cccc23)c1O	ZINC000026508045	368861460	/nfs/dbraw/zinc/86/14/60/368861460.db2.gz	YBXYPAWXPNVNSN-UHFFFAOYSA-N	0	2	277.276	3.081	10	10		CGCELN
ON[C@H](c1cc(Cl)cc(Cl)c1O)C(F)(F)F	ZINC000309208906	346468525	/nfs/dbraw/zinc/46/85/25/346468525.db2.gz	FBWZVHCLACHEBA-SSDOTTSWSA-N	0	2	276.041	3.281	10	10		CGCELN
COC(=O)c1sc2c(cnc3ccc(F)cc23)c1O	ZINC000026508050	368861412	/nfs/dbraw/zinc/86/14/12/368861412.db2.gz	OMROYLPEVFAZRI-UHFFFAOYSA-N	0	2	277.276	3.081	10	10		CGCELN
ON[C@@H](c1cc(Cl)cc(Cl)c1O)C(F)(F)F	ZINC000309182229	346468757	/nfs/dbraw/zinc/46/87/57/346468757.db2.gz	FBWZVHCLACHEBA-ZETCQYMHSA-N	0	2	276.041	3.281	10	10		CGCELN
O=c1cc(-c2ccccc2)sc2cc(O)c(O)cc12	ZINC000013604210	368659131	/nfs/dbraw/zinc/65/91/31/368659131.db2.gz	BHHOFNJMOMYBMU-UHFFFAOYSA-N	0	2	270.309	3.340	10	10		CGCELN
Cc1c2c(cc(O)c1Cl)C(=O)C1(CCCC1)C2=O	ZINC000584651619	346704959	/nfs/dbraw/zinc/70/49/59/346704959.db2.gz	GCQQHCJINIJWRT-UHFFFAOYSA-N	0	2	264.708	3.293	10	10		CGCELN