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-])c1ccc(NCCCCCNc2ccc(C(=O)[O-])cc2)cc1	ZINC000065748383	258011719	/nfs/dbraw/zinc/01/17/19/258011719.db2.gz	AFESDWYVUOFGGR-UHFFFAOYSA-N	-2	0	342.395	3.777	40	0	in-vitro	EHABRL
CC(C)(SCC(=O)[O-])c1ccc(C(C)(C)SCC(=O)[O-])cc1	ZINC000255190723	535334096	/nfs/dbraw/zinc/33/40/96/535334096.db2.gz	YZRZNTCKIZCZRX-UHFFFAOYSA-N	-2	0	342.482	3.792	40	0		EHABRL
CC(=O)C=C([O-])c1ccc(Oc2ccc(C([O-])=CC(C)=O)cc2)cc1	ZINC000100713911	563982712	/nfs/dbraw/zinc/98/27/12/563982712.db2.gz	LQCBWQIFSZYJNU-UHFFFAOYSA-N	-2	0	338.359	3.803	40	0		EHABRL
COc1ccc2cc([C@@H](CCC(=O)[O-])C(C)(C)C(=O)[O-])ccc2c1	ZINC000003850207	563489787	/nfs/dbraw/zinc/48/97/87/563489787.db2.gz	XDAAGTWTOCZCGX-MRXNPFEDSA-N	-2	0	330.380	3.908	40	0		EHABRL
O=C([O-])C(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)[O-]	ZINC000004953527	564005544	/nfs/dbraw/zinc/00/55/44/564005544.db2.gz	MCAULKHIXAMDFI-UHFFFAOYSA-N	-2	0	327.119	3.806	40	0		EHABRL
O=C([O-])[C@@H](c1ccccc1)c1cccc([C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000001611963	563396426	/nfs/dbraw/zinc/39/64/26/563396426.db2.gz	YDGHOXRKCRMYPC-OALUTQOASA-N	-2	0	347.370	3.515	40	0		EHABRL
Cc1nnc(S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)[O-])o1	ZINC000007603494	564126757	/nfs/dbraw/zinc/12/67/57/564126757.db2.gz	GZAHJCBTGOIQNK-OQFOIZHKSA-N	-2	0	347.179	3.608	40	0		EHABRL
COc1ccc2cc([C@H](CCC(=O)[O-])C(C)(C)C(=O)[O-])ccc2c1	ZINC000003850205	210080830	/nfs/dbraw/zinc/08/08/30/210080830.db2.gz	XDAAGTWTOCZCGX-INIZCTEOSA-N	-2	0	330.380	3.908	40	0		EHABRL
O=C([O-])c1ccc(COc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1	ZINC000007604110	563994730	/nfs/dbraw/zinc/99/47/30/563994730.db2.gz	UXJBSUAKRYLOKA-UHFFFAOYSA-N	-2	0	341.146	3.969	40	0		EHABRL
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2CCC(=O)[O-])cc1	ZINC000062702316	257691009	/nfs/dbraw/zinc/69/10/09/257691009.db2.gz	AQXNUNYFKGPANS-UHFFFAOYSA-N	-2	0	335.359	3.926	40	0		EHABRL
O=C([O-])C(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-]	ZINC000004953530	210338631	/nfs/dbraw/zinc/33/86/31/210338631.db2.gz	HFIQYPSNXUPNCA-UHFFFAOYSA-N	-2	0	326.226	3.518	40	0		EHABRL
O=C([O-])/C(=C/c1ccc(C(=O)[O-])cc1)Sc1nc2ccccc2o1	ZINC000211507253	564128863	/nfs/dbraw/zinc/12/88/63/564128863.db2.gz	BCMPMIZNLFZSIT-ZROIWOOFSA-N	-2	0	341.344	3.744	40	0		EHABRL
CCCOc1ccc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc1	ZINC000007342365	563994447	/nfs/dbraw/zinc/99/44/47/563994447.db2.gz	VWLNMTJRVLANCI-SDNWHVSQSA-N	-2	0	347.440	3.764	40	0		EHABRL
O=C([O-])[C@H](c1ccccc1)c1cccc([C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000001611961	563396472	/nfs/dbraw/zinc/39/64/72/563396472.db2.gz	YDGHOXRKCRMYPC-KDURUIRLSA-N	-2	0	347.370	3.515	40	0		EHABRL
Nc1ccc(-c2c(C(=O)[O-])ccc(C(=O)[O-])c2-c2ccc(N)cc2)cc1	ZINC000055162016	214282022	/nfs/dbraw/zinc/28/20/22/214282022.db2.gz	KXDJBERINGUHGB-UHFFFAOYSA-N	-2	0	348.358	3.581	40	0		EHABRL
O=C([O-])c1ccccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-]	ZINC000016526031	563814530	/nfs/dbraw/zinc/81/45/30/563814530.db2.gz	CBXNSHMJUARJPY-UHFFFAOYSA-N	-2	0	343.360	3.528	40	0		EHABRL
O=C([O-])[C@H](c1ccccc1)c1cccc([C@H](C(=O)[O-])c2ccccc2)n1	ZINC000001611962	563396422	/nfs/dbraw/zinc/39/64/22/563396422.db2.gz	YDGHOXRKCRMYPC-RTBURBONSA-N	-2	0	347.370	3.515	40	0		EHABRL
O=C(C=C([O-])c1ccccc1)C=C([O-])c1ccccc1Br	ZINC000100478327	219100763	/nfs/dbraw/zinc/10/07/63/219100763.db2.gz	CUFSGLPMXNBLTM-UHFFFAOYSA-N	-2	0	345.192	3.864	40	0		EHABRL
CCC[C@H]1O[C@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-]	ZINC000257297432	564054992	/nfs/dbraw/zinc/05/49/92/564054992.db2.gz	RHFSGNKMJLIHOU-KQTLUZQSSA-N	-2	0	348.395	3.503	40	0		EHABRL
O=C([O-])CSC(SCC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000001736470	563408567	/nfs/dbraw/zinc/40/85/67/563408567.db2.gz	YFNWOEYZLJOARY-UHFFFAOYSA-N	-2	0	341.237	3.628	40	0		EHABRL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1	ZINC000314938783	1031208028	/nfs/dbraw/zinc/20/80/28/1031208028.db2.gz	OPUGNTNDVFRTDQ-UHFFFAOYSA-N	-2	0	345.829	3.517	40	0		EHABRL
O=C([O-])CSC(SCC(=O)[O-])(c1ccccc1)c1ccccc1	ZINC000001732669	563408356	/nfs/dbraw/zinc/40/83/56/563408356.db2.gz	ACQKMIBIYKMABI-UHFFFAOYSA-N	-2	0	348.445	3.523	40	0		EHABRL
O=C([O-])c1cc(-c2ccccc2)oc1COc1ccc(C(=O)[O-])cc1	ZINC000005604478	563542571	/nfs/dbraw/zinc/54/25/71/563542571.db2.gz	NGBHFIGRYSNWQN-UHFFFAOYSA-N	-2	0	338.315	3.922	40	0		EHABRL