smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000035064890	563118677	/nfs/dbraw/zinc/11/86/77/563118677.db2.gz	DKUHWLNSNGEXFN-UHFFFAOYSA-N	0	2	451.961	2.533	1	10		JFCFLN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043017473	563164648	/nfs/dbraw/zinc/16/46/48/563164648.db2.gz	XKGBUNYEHBIEOX-KRWDZBQOSA-N	0	2	491.452	2.935	1	10		JFCFLN
CC(=O)N[C@@H](CC(C)C)C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043067935	563166156	/nfs/dbraw/zinc/16/61/56/563166156.db2.gz	ALSFDKWGHNLCFB-AWEZNQCLSA-N	0	2	457.435	2.739	1	10		JFCFLN
COc1cc(O)c(-c2c(CO)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O	ZINC000015249257	563011408	/nfs/dbraw/zinc/01/14/08/563011408.db2.gz	XBZFXAYXSQAPPD-UHFFFAOYSA-N	0	2	450.399	2.655	1	10		JFCFLN
COc1c(C(C)=O)c(O)cc(O)c1-c1c(CO)cc(O)c2c1C(=O)c1cccc(O)c1C2=O	ZINC000015249254	563011479	/nfs/dbraw/zinc/01/14/79/563011479.db2.gz	KUDYATBIEOTCGT-UHFFFAOYSA-N	0	2	450.399	2.655	1	10	in-vitro	JFCFLN
CC(C)(C)OC(=O)NCC(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000043077797	563166802	/nfs/dbraw/zinc/16/68/02/563166802.db2.gz	DNLICNRXPVSIFQ-UHFFFAOYSA-N	0	2	459.407	2.713	1	10		JFCFLN