smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/C=C(\c2ccccc2)[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000001621319	563288097	/nfs/dbraw/zinc/28/80/97/563288097.db2.gz	ZRVAPWLEIGHBCB-ABPVARSCSA-N	-2	0	310.349	3.711	40	0		DHABRL
Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccccc2[O-])n1	ZINC000003139905	563942361	/nfs/dbraw/zinc/94/23/61/563942361.db2.gz	HWJJBGPUJFCJOS-UHFFFAOYSA-N	-2	0	322.320	3.648	40	0		DHABRL
O=C([O-])CCCCCCCCCCC(=O)CCCC(=O)[O-]	ZINC000005287105	181226210	/nfs/dbraw/zinc/22/62/10/181226210.db2.gz	CAJLFVYRMXXDCV-UHFFFAOYSA-N	-2	0	300.395	3.796	40	0		DHABRL
Cc1ccc([C@@H](c2ccccc2)C(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000017014756	190642719	/nfs/dbraw/zinc/64/27/19/190642719.db2.gz	ZRZLIGARUAPHMR-LJQANCHMSA-N	-2	0	312.365	3.693	40	0		DHABRL
Cn1c(-c2ccccc2)c(C(=O)[O-])c(C(=O)[O-])c1-c1ccccc1	ZINC000001557250	563284738	/nfs/dbraw/zinc/28/47/38/563284738.db2.gz	LAYQNJYPHWXZSY-UHFFFAOYSA-N	-2	0	321.332	3.756	40	0		DHABRL
Cc1ccc(/C=C(\c2ccccc2)[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000001621321	563288083	/nfs/dbraw/zinc/28/80/83/563288083.db2.gz	ZRVAPWLEIGHBCB-YTBHAWNYSA-N	-2	0	310.349	3.711	40	0		DHABRL
CCC(=C([O-])c1cccs1)C(O)(C(F)(F)F)C(F)(F)F	ZINC000001623621	563288239	/nfs/dbraw/zinc/28/82/39/563288239.db2.gz	NYGZGAZDWNXLMT-ZCFIWIBFSA-N	-2	0	320.254	3.813	40	0	in-vitro	DHABRL
O=C([O-])c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000001648153	563289330	/nfs/dbraw/zinc/28/93/30/563289330.db2.gz	PNPYWVGAHRIADP-UHFFFAOYSA-N	-2	0	311.120	3.628	40	0		DHABRL
O=C([O-])CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)[O-]	ZINC000062702312	257128880	/nfs/dbraw/zinc/12/88/80/257128880.db2.gz	WQDVGYCEBWCUAP-UHFFFAOYSA-N	-2	0	321.332	3.617	40	0		DHABRL
O=C([O-])[C@@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)[O-]	ZINC000004831809	181158742	/nfs/dbraw/zinc/15/87/42/181158742.db2.gz	PHJIZAYKVVVWIS-TVFCKZIOSA-N	-2	0	322.360	3.525	40	0		DHABRL
O=C([O-])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-]	ZINC000005749598	181280434	/nfs/dbraw/zinc/28/04/34/181280434.db2.gz	MQEWUDJBRRDNJA-UHFFFAOYSA-N	-2	0	300.354	3.551	40	0		DHABRL
O=C([O-])[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000001731612	563293925	/nfs/dbraw/zinc/29/39/25/563293925.db2.gz	ZQKNZDZRSDGSBU-HDICACEKSA-N	-2	0	322.360	3.793	40	0		DHABRL
O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c([O-])cc1[O-]	ZINC000002507941	563305302	/nfs/dbraw/zinc/30/53/02/563305302.db2.gz	GOZHNJTXLALKRL-UHFFFAOYSA-N	-2	0	318.328	3.560	40	0		DHABRL
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(C(=O)[O-])c1Cl	ZINC000001670165	563634047	/nfs/dbraw/zinc/63/40/47/563634047.db2.gz	UVGODUOYFYEIGZ-UHFFFAOYSA-N	-2	0	303.912	3.697	40	0		DHABRL
Cc1ccccc1[C@H](c1ccccc1)C(CC(=O)[O-])CC(=O)[O-]	ZINC000001600922	563287587	/nfs/dbraw/zinc/28/75/87/563287587.db2.gz	GBYTTYQAWXIDLQ-LJQANCHMSA-N	-2	0	312.365	3.693	40	0		DHABRL
O=C([O-])[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000001731614	563293837	/nfs/dbraw/zinc/29/38/37/563293837.db2.gz	ZQKNZDZRSDGSBU-ROUUACIJSA-N	-2	0	322.360	3.793	40	0		DHABRL
O=C([O-])c1ccc(-c2ccc(-c3ccc(C(=O)[O-])cc3)nc2)cc1	ZINC000199904674	1019348616	/nfs/dbraw/zinc/34/86/16/1019348616.db2.gz	UOAKBLHTDRACTP-UHFFFAOYSA-N	-2	0	319.316	3.812	40	0		DHABRL
Cc1ccc([C@H](c2ccccc2)C(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000001632907	180881779	/nfs/dbraw/zinc/88/17/79/180881779.db2.gz	ZRZLIGARUAPHMR-IBGZPJMESA-N	-2	0	312.365	3.693	40	0		DHABRL
O=S(c1cc(Cl)ccc1[O-])c1cc(Cl)ccc1[O-]	ZINC000001608799	563287484	/nfs/dbraw/zinc/28/74/84/563287484.db2.gz	RTKDHPNYIPCHSF-UHFFFAOYSA-N	-2	0	303.166	3.571	40	0		DHABRL
O=C(C=C([O-])c1ccccc1)C=C([O-])c1ccccc1Cl	ZINC000100478329	563550960	/nfs/dbraw/zinc/55/09/60/563550960.db2.gz	NECJZFQJCVKVEE-UHFFFAOYSA-N	-2	0	300.741	3.755	40	0		DHABRL
CCCCn1c2ccc(C(=O)[O-])cc2c2cc(C(=O)[O-])ccc21	ZINC000073634135	191333341	/nfs/dbraw/zinc/33/33/41/191333341.db2.gz	OOMSQLIQOAEEQL-UHFFFAOYSA-N	-2	0	311.337	3.991	40	0		DHABRL
O=C(C=C([O-])c1ccccc1)C=C([O-])c1cccc(Cl)c1	ZINC000100478301	563550950	/nfs/dbraw/zinc/55/09/50/563550950.db2.gz	WTFVUWNHNQDAHY-UHFFFAOYSA-N	-2	0	300.741	3.755	40	0		DHABRL
Cc1ccccc1[C@@H](c1ccccc1)C(CC(=O)[O-])CC(=O)[O-]	ZINC000006491577	181345575	/nfs/dbraw/zinc/34/55/75/181345575.db2.gz	GBYTTYQAWXIDLQ-IBGZPJMESA-N	-2	0	312.365	3.693	40	0		DHABRL
Cc1ccc(/C=C(/c2ccccc2)[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000017351880	182083838	/nfs/dbraw/zinc/08/38/38/182083838.db2.gz	ZRVAPWLEIGHBCB-NIFLVVHWSA-N	-2	0	310.349	3.711	40	0		DHABRL
O=C([O-])[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)[O-]	ZINC000001731613	563293824	/nfs/dbraw/zinc/29/38/24/563293824.db2.gz	ZQKNZDZRSDGSBU-QZTJIDSGSA-N	-2	0	322.360	3.793	40	0		DHABRL
O=C([O-])[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)[O-]	ZINC000004831811	181158866	/nfs/dbraw/zinc/15/88/66/181158866.db2.gz	PHJIZAYKVVVWIS-USTZCAOPSA-N	-2	0	322.360	3.525	40	0		DHABRL
Cc1ccc(/C=C(/c2ccccc2)[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000017003926	563412714	/nfs/dbraw/zinc/41/27/14/563412714.db2.gz	ZRVAPWLEIGHBCB-ZFOVBUMHSA-N	-2	0	310.349	3.711	40	0		DHABRL