smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(C(c2ccc(Br)cc2)c2c([O-])nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000008837590	553164065	/nfs/dbraw/zinc/16/40/65/553164065.db2.gz	NZPYQGKTXWDDFW-NSHDSACASA-N	-2	1	507.391	2.365	50	0		KEAAML
O=c1c(C(c2ccc(Br)cc2)c2c([O-])nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013635518	553478813	/nfs/dbraw/zinc/47/88/13/553478813.db2.gz	NZPYQGKTXWDDFW-LLVKDONJSA-N	-2	1	507.391	2.365	50	0		KEAAML
CC(C)NC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2)CC1	ZINC000033256334	553915272	/nfs/dbraw/zinc/91/52/72/553915272.db2.gz	HBZBOTVYLLDSTL-UHFFFAOYSA-N	-2	1	511.604	2.380	50	0		KEAAML
CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2)CC1	ZINC000033256336	553915119	/nfs/dbraw/zinc/91/51/19/553915119.db2.gz	SKLAYGXACSFMMO-UHFFFAOYSA-N	-2	1	511.604	2.382	50	0		KEAAML
O=C([O-])c1cc(N2CCN(CC(=O)N3CCCC3)CC2)nc2ccc([N-]S(=O)(=O)c3ccccc3)cc21	ZINC000033256337	553915177	/nfs/dbraw/zinc/91/51/77/553915177.db2.gz	YWTZQHKECSOFSE-UHFFFAOYSA-N	-2	1	523.615	2.478	50	0		KEAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCC(C(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)(c2ccccc2)CC1	ZINC000070705163	553624905	/nfs/dbraw/zinc/62/49/05/553624905.db2.gz	KXJLETZDFLFAJC-HHHXNRCGSA-N	-2	1	577.634	2.252	50	0	biogenic	KEAAML
O=c1c(C(c2ccc3c(c2)OCO3)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000102863754	555093506	/nfs/dbraw/zinc/09/35/06/555093506.db2.gz	OSVYAAHVMDRKNW-AWEZNQCLSA-N	-2	1	500.558	2.112	50	0		KEAAML
O=c1c(C(c2ccc3c(c2)OCO3)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000102863755	555093493	/nfs/dbraw/zinc/09/34/93/555093493.db2.gz	OSVYAAHVMDRKNW-CQSZACIVSA-N	-2	1	500.558	2.112	50	0		KEAAML