smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000033253929	556894310	/nfs/dbraw/zinc/89/43/10/556894310.db2.gz	XGZPDEVUAYUDSU-UHFFFAOYSA-N	-2	1	432.586	5.011	50	0		IKAAML
Cc1ccc(C)c(Sc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)c1	ZINC000012631495	524201483	/nfs/dbraw/zinc/20/14/83/524201483.db2.gz	UFXSUOCCYHTMSA-UHFFFAOYSA-N	-2	1	427.547	5.262	50	0		IKAAML
O=C(C(=C([O-])c1ccccc1)C(C(=O)c1ccccc1)=C([O-])c1ccccc1)c1ccccc1	ZINC000100697887	557270514	/nfs/dbraw/zinc/27/05/14/557270514.db2.gz	QPKVOOSJCFCEGP-UHFFFAOYSA-N	-2	1	446.502	5.750	50	0		IKAAML
COc1cccc(-c2oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c3c2CC(=O)[O-])c1	ZINC000524731220	557369411	/nfs/dbraw/zinc/36/94/11/557369411.db2.gz	ONCNBRXDVDDOOS-UHFFFAOYSA-N	-2	1	442.423	5.215	50	0	biogenic	IKAAML
O=C([O-])c1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000009426716	569533300	/nfs/dbraw/zinc/53/33/00/569533300.db2.gz	QOKOLHHFGUZGAW-UHFFFAOYSA-N	-2	1	438.288	5.285	50	0		IKAAML
COc1ccc(-c2oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c3c2CC(=O)[O-])cc1	ZINC000524730533	557369183	/nfs/dbraw/zinc/36/91/83/557369183.db2.gz	MLLZGUNBEYFVQT-UHFFFAOYSA-N	-2	1	442.423	5.215	50	0	biogenic	IKAAML
CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C1	ZINC000006025476	562945957	/nfs/dbraw/zinc/94/59/57/562945957.db2.gz	DYLVBTQTDUBMIS-HNNXBMFYSA-N	-2	1	427.522	5.083	50	0		IKAAML
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000095951758	569376719	/nfs/dbraw/zinc/37/67/19/569376719.db2.gz	XYJFWERQHSAMNY-UHFFFAOYSA-N	-2	1	429.460	5.119	50	0		IKAAML
O=C([O-])c1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)o2)ccc1Cl	ZINC000008711271	569471008	/nfs/dbraw/zinc/47/10/08/569471008.db2.gz	DWSYSDJQRZHAOO-UHFFFAOYSA-N	-2	1	426.881	5.554	50	0		IKAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc23)c1C(=O)[O-]	ZINC000008834634	569477946	/nfs/dbraw/zinc/47/79/46/569477946.db2.gz	MYYYBCPHNGXWGJ-UHFFFAOYSA-N	-2	1	437.517	5.691	50	0		IKAAML
O=C([O-])c1ccc2ncc(C(=O)[O-])c(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1	ZINC000009006235	569496110	/nfs/dbraw/zinc/49/61/10/569496110.db2.gz	UYSOPUWLADOYIS-UHFFFAOYSA-N	-2	1	448.862	5.607	50	0		IKAAML
CCC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C1	ZINC000008439336	556175551	/nfs/dbraw/zinc/17/55/51/556175551.db2.gz	ZYJBKPQFTOMOSE-INIZCTEOSA-N	-2	1	441.549	5.473	50	0		IKAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000033254007	556894250	/nfs/dbraw/zinc/89/42/50/556894250.db2.gz	SMAWHTLDYRDOOM-UHFFFAOYSA-N	-2	1	432.586	5.011	50	0		IKAAML
Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc2)c(C)c1	ZINC000006144369	557146101	/nfs/dbraw/zinc/14/61/01/557146101.db2.gz	PJCWINWIXOHTOB-MKMNVTDBSA-N	-2	1	439.558	5.353	50	0		IKAAML
Cc1ccc(-c2oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c3c2CC(=O)[O-])c(C)c1	ZINC000524732085	557370151	/nfs/dbraw/zinc/37/01/51/557370151.db2.gz	WOCAOWCABUJZMF-UHFFFAOYSA-N	-2	1	440.451	5.823	50	0	biogenic	IKAAML
CC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C1	ZINC000006025474	562945955	/nfs/dbraw/zinc/94/59/55/562945955.db2.gz	DYLVBTQTDUBMIS-OAHLLOKOSA-N	-2	1	427.522	5.083	50	0		IKAAML
CCC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C1	ZINC000008439335	556175556	/nfs/dbraw/zinc/17/55/56/556175556.db2.gz	ZYJBKPQFTOMOSE-MRXNPFEDSA-N	-2	1	441.549	5.473	50	0		IKAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000032971189	557319464	/nfs/dbraw/zinc/31/94/64/557319464.db2.gz	LLQUCFTXCGNGFU-UHFFFAOYSA-N	-2	1	445.368	5.119	50	0		IKAAML
O=C([O-])Cc1c(-c2ccc(F)cc2)oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000524729550	557368759	/nfs/dbraw/zinc/36/87/59/557368759.db2.gz	YFOGRJDBHUIBSD-UHFFFAOYSA-N	-2	1	430.387	5.345	50	0	biogenic	IKAAML