smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000102878332	557407074	/nfs/dbraw/zinc/40/70/74/557407074.db2.gz	ZHRNKKDBIKBEBO-SJNBJEQYSA-N	-1	2	443.430	4.706	50	30		IJEALM
CCC(CC)[N@H+]1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1	ZINC000058263986	521563050	/nfs/dbraw/zinc/56/30/50/521563050.db2.gz	DWLYMSCBAXNXNK-VOKWCDJLSA-N	-1	2	433.504	4.623	50	30		IJEALM
CCC(CC)[N@@H+]1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1	ZINC000058263986	521563057	/nfs/dbraw/zinc/56/30/57/521563057.db2.gz	DWLYMSCBAXNXNK-VOKWCDJLSA-N	-1	2	433.504	4.623	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1	ZINC000102871431	526391248	/nfs/dbraw/zinc/39/12/48/526391248.db2.gz	QSQYGJQYAYILDM-MDLVTALHSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(F)c2)c1	ZINC000102876437	557395878	/nfs/dbraw/zinc/39/58/78/557395878.db2.gz	VUAKDQORFMJGKF-JNSWZRPYSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000013617264	526391403	/nfs/dbraw/zinc/39/14/03/526391403.db2.gz	BJLLZWPJIUJHLI-ZVQQDINOSA-N	-1	2	443.430	4.706	50	30		IJEALM
Cc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000020358446	557011693	/nfs/dbraw/zinc/01/16/93/557011693.db2.gz	NMIGIRWMBHLPAF-YIUOCOAMSA-N	-1	2	439.467	4.876	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000102878334	557407106	/nfs/dbraw/zinc/40/71/06/557407106.db2.gz	ZHRNKKDBIKBEBO-XRNAITRYSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(F)c2)c1	ZINC000015769241	556549930	/nfs/dbraw/zinc/54/99/30/556549930.db2.gz	FNJIMCGDEZLMLF-OTOIZHKDSA-N	-1	2	443.430	4.706	50	30		IJEALM
Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000020358444	557011781	/nfs/dbraw/zinc/01/17/81/557011781.db2.gz	NMIGIRWMBHLPAF-BKJJUGQFSA-N	-1	2	439.467	4.876	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(F)c2)c1	ZINC000016944702	556649563	/nfs/dbraw/zinc/64/95/63/556649563.db2.gz	FNJIMCGDEZLMLF-MDRMPYQZSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)c1	ZINC000008694898	569470119	/nfs/dbraw/zinc/47/01/19/569470119.db2.gz	SUZNQNRXMHUOAS-NSFRLNINSA-N	-1	2	425.440	4.567	50	30		IJEALM
Cc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000100136403	557332868	/nfs/dbraw/zinc/33/28/68/557332868.db2.gz	WQPLAGZZCCFATH-AIIPKAINSA-N	-1	2	439.467	4.876	50	30		IJEALM
Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000100136400	557332843	/nfs/dbraw/zinc/33/28/43/557332843.db2.gz	WQPLAGZZCCFATH-ZHSJKAEUSA-N	-1	2	439.467	4.876	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(F)c2)c1	ZINC000020029574	569332443	/nfs/dbraw/zinc/33/24/43/569332443.db2.gz	FNJIMCGDEZLMLF-FRHQNKJESA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)c1	ZINC000008694897	569470151	/nfs/dbraw/zinc/47/01/51/569470151.db2.gz	SUZNQNRXMHUOAS-WOOPDLCSSA-N	-1	2	425.440	4.567	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1	ZINC000009192243	569510763	/nfs/dbraw/zinc/51/07/63/569510763.db2.gz	MAVKOCWDHSUHCJ-VTJDKEBTSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1	ZINC000102871427	557395868	/nfs/dbraw/zinc/39/58/68/557395868.db2.gz	QSQYGJQYAYILDM-NDNCKPOYSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(F)c2)c1	ZINC000020029575	569332458	/nfs/dbraw/zinc/33/24/58/569332458.db2.gz	FNJIMCGDEZLMLF-WHIOSMTNSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000013617265	526390450	/nfs/dbraw/zinc/39/04/50/526390450.db2.gz	BJLLZWPJIUJHLI-YAOQVBECSA-N	-1	2	443.430	4.706	50	30		IJEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1	ZINC000009192244	569510771	/nfs/dbraw/zinc/51/07/71/569510771.db2.gz	MAVKOCWDHSUHCJ-PZVJUEDKSA-N	-1	2	443.430	4.706	50	30		IJEALM