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(O)cc(Cl)c(Cl)c1Cl	ZINC000000113800	183256843	/nfs/dbraw/zinc/25/68/43/183256843.db2.gz	FUTDYIMYZIMPBJ-UHFFFAOYSA-N	-1	0	213.447	3.058	40	10	in-vitro	BGCBRM
Nc1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004707411	181698830	/nfs/dbraw/zinc/69/88/30/181698830.db2.gz	KJNBDJZDRNLJJG-FOCLMDBBSA-N	-1	0	241.250	3.382	40	10		BGCBRM
Cc1noc(C)c1/N=N/c1ccccc1C(=O)[O-]	ZINC000004986495	385641261	/nfs/dbraw/zinc/64/12/61/385641261.db2.gz	QBXCMPGTAQFTFT-BUHFOSPRSA-N	-1	0	245.238	3.405	40	10		BGCBRM
O=C([O-])c1ccccc1NN=Nc1ccccc1	ZINC000005080965	342757645	/nfs/dbraw/zinc/75/76/45/342757645.db2.gz	JZFJTFXWDKRXKK-UHFFFAOYSA-N	-1	0	241.250	3.496	40	10		BGCBRM
O=C([O-])c1ccccc1/N=N/c1ccc[nH]1	ZINC000005583822	342766663	/nfs/dbraw/zinc/76/66/63/342766663.db2.gz	OPXFZKRNJNJOHF-BUHFOSPRSA-N	-1	0	215.212	3.128	40	10		BGCBRM
Cc1ccc(C)n1-c1cccc(C)c1C(=O)[O-]	ZINC000005740587	342769463	/nfs/dbraw/zinc/76/94/63/342769463.db2.gz	KYOFMYJSGMBJLD-UHFFFAOYSA-N	-1	0	229.279	3.101	40	10		BGCBRM
Cc1ccc(C)n1-c1ccc([S-])cc1	ZINC000008701910	346568323	/nfs/dbraw/zinc/56/83/23/346568323.db2.gz	XDTKHAYZAMOXJV-UHFFFAOYSA-N	-1	0	203.310	3.383	40	10		BGCBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccccc1Cl	ZINC000019949308	177821753	/nfs/dbraw/zinc/82/17/53/177821753.db2.gz	IYBIXVGYRZOSKF-UHFFFAOYSA-N	-1	0	249.697	3.446	40	10		BGCBRM
Cc1cc(CCC(=O)[O-])c(C)n1-c1ccccc1	ZINC000019949573	177961306	/nfs/dbraw/zinc/96/13/06/177961306.db2.gz	MOXPEFXLUYUMDG-UHFFFAOYSA-N	-1	0	243.306	3.111	40	10		BGCBRM
Cc1cc(C(=O)[O-])c(C)n1-c1c(C)cccc1C	ZINC000020008723	179029459	/nfs/dbraw/zinc/02/94/59/179029459.db2.gz	UWQLTYSOOZNZQM-UHFFFAOYSA-N	-1	0	243.306	3.409	40	10		BGCBRM
CN(C)c1ccc(/C=C/C(=O)[O-])c2ccccc21	ZINC000044201206	188258332	/nfs/dbraw/zinc/25/83/32/188258332.db2.gz	ZODXXCYTSLUQEQ-CSKARUKUSA-N	-1	0	241.290	3.004	40	10		BGCBRM