smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@@H]([O-])c1cc2c3ccccc3ccc2c2ccccc21	ZINC000006576431	170214653	/nfs/dbraw/zinc/21/46/53/170214653.db2.gz	DCOUEHGTKFIGTP-UHFFFAOYSA-N	-1	0	292.274	4.239	40	5		CIBBRM
Cc1cc(C(=O)[O-])c2c3c(cc(C)c2n1)[nH]c1ccccc13	ZINC000001697057	567841844	/nfs/dbraw/zinc/84/18/44/567841844.db2.gz	YRXWHQLZFOFUQO-UHFFFAOYSA-N	-1	0	290.322	4.184	40	5		CIBBRM
COc1ccc2ccc3ccccc3c2c1/C=C\C(=O)[O-]	ZINC000017375699	567875822	/nfs/dbraw/zinc/87/58/22/567875822.db2.gz	KSSHFTRJEMEBCE-LUAWRHEFSA-N	-1	0	278.307	4.099	40	5		CIBBRM
O=C([O-])c1c2sc3ccccc3c2nc2ccccc21	ZINC000001593397	169720997	/nfs/dbraw/zinc/72/09/97/169720997.db2.gz	OLHMLDYNIPBLPS-UHFFFAOYSA-N	-1	0	279.320	4.301	40	5		CIBBRM
N=C1O[C@@H](c2c3ccccc3cc3ccccc32)C([O-])=C1O	ZINC000104239707	567916512	/nfs/dbraw/zinc/91/65/12/567916512.db2.gz	AUUQGHVKDWYAOE-KRWDZBQOSA-N	-1	0	291.306	4.369	40	5		CIBBRM
O=C([O-])c1ccc2cc(Cl)c3ccccc3c2c1	ZINC000001593460	567839066	/nfs/dbraw/zinc/83/90/66/567839066.db2.gz	JAIIDCPBHNDDLV-UHFFFAOYSA-N	-1	0	256.688	4.345	40	5		CIBBRM
Cc1c2ccccc2c(/C=C/C(=O)[O-])c2ccccc12	ZINC000044201176	175153969	/nfs/dbraw/zinc/15/39/69/175153969.db2.gz	ONUYVWHWEFRSHG-ZHACJKMWSA-N	-1	0	262.308	4.399	40	5		CIBBRM
O=C([O-])CCCc1ccc2ccc3ccccc3c2c1	ZINC000001598554	560182821	/nfs/dbraw/zinc/18/28/21/560182821.db2.gz	NYIVWTWKIQOBKO-UHFFFAOYSA-N	-1	0	264.324	4.400	40	5	in-vitro	CIBBRM
COc1ccc2ccc3ccccc3c2c1/C=C/C(=O)[O-]	ZINC000001569667	567838062	/nfs/dbraw/zinc/83/80/62/567838062.db2.gz	KSSHFTRJEMEBCE-PKNBQFBNSA-N	-1	0	278.307	4.099	40	5		CIBBRM
N=C1O[C@H](c2c3ccccc3cc3ccccc32)C([O-])=C1O	ZINC000104239702	567916611	/nfs/dbraw/zinc/91/66/11/567916611.db2.gz	AUUQGHVKDWYAOE-QGZVFWFLSA-N	-1	0	291.306	4.369	40	5		CIBBRM