smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1c(CNC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)nc2ccccc21	ZINC000217935895	569455048	/nfs/dbraw/zinc/45/50/48/569455048.db2.gz	QZWCIIQKRIDHNY-UHFFFAOYSA-N	-1	3	437.496	3.762	50	70	biogenic	IHIAHM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccccc1[O-]	ZINC000218091529	569456239	/nfs/dbraw/zinc/45/62/39/569456239.db2.gz	JWCFXTLLEXUECF-QHCPKHFHSA-N	-1	3	427.460	3.926	50	70	biogenic	IHIAHM
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccccc1[O-]	ZINC000218091455	569456260	/nfs/dbraw/zinc/45/62/60/569456260.db2.gz	JWCFXTLLEXUECF-HSZRJFAPSA-N	-1	3	427.460	3.926	50	70	biogenic	IHIAHM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCCCC2)c(OC)c1OC	ZINC000218420698	557198344	/nfs/dbraw/zinc/19/83/44/557198344.db2.gz	NHBMXBWRXOTTGG-INIZCTEOSA-N	-1	3	432.546	3.796	50	70		IHIAHM
CC(C)(C)OC(=O)NC1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000218516465	557204897	/nfs/dbraw/zinc/20/48/97/557204897.db2.gz	IMXDYYMHTQBKQV-INIZCTEOSA-N	-1	3	447.536	3.714	50	70		IHIAHM
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218286350	557187909	/nfs/dbraw/zinc/18/79/09/557187909.db2.gz	VIBCNWRHNKWSSN-KRWDZBQOSA-N	-1	3	437.439	3.628	50	70		IHIAHM
CC(C)(C)OC(=O)NC1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000218516384	557204405	/nfs/dbraw/zinc/20/44/05/557204405.db2.gz	IMXDYYMHTQBKQV-MRXNPFEDSA-N	-1	3	447.536	3.714	50	70		IHIAHM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCCCC2)c(OC)c1OC	ZINC000218420782	557198357	/nfs/dbraw/zinc/19/83/57/557198357.db2.gz	NHBMXBWRXOTTGG-MRXNPFEDSA-N	-1	3	432.546	3.796	50	70		IHIAHM
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1[O-]	ZINC000218286286	557187823	/nfs/dbraw/zinc/18/78/23/557187823.db2.gz	VIBCNWRHNKWSSN-QGZVFWFLSA-N	-1	3	437.439	3.628	50	70		IHIAHM
COCc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1	ZINC000217810716	569453568	/nfs/dbraw/zinc/45/35/68/569453568.db2.gz	JEVAVQBTTKOBIB-SFHVURJKSA-N	-1	3	448.475	3.673	50	70	biogenic	IHIAHM
COCc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1	ZINC000217810636	569453538	/nfs/dbraw/zinc/45/35/38/569453538.db2.gz	JEVAVQBTTKOBIB-GOSISDBHSA-N	-1	3	448.475	3.673	50	70	biogenic	IHIAHM