smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2ncnc(NCCCC(=O)[O-])c2c1	ZINC000004294381	360464786	/nfs/dbraw/zinc/46/47/86/360464786.db2.gz	MYMRUKFEYTYIPG-UHFFFAOYSA-N	-1	0	245.282	2.215	30	0		BEACRM
COc1ccc(C(=O)[O-])cc1OCC(C)C	ZINC000019506722	175064418	/nfs/dbraw/zinc/06/44/18/175064418.db2.gz	KJSQGQJPEFWNIL-UHFFFAOYSA-N	-1	0	224.256	2.428	30	0		BEACRM
O=[S@]([O-])c1cc(F)c(Cl)cc1F	ZINC000095483757	398250053	/nfs/dbraw/zinc/25/00/53/398250053.db2.gz	XCBAQZDOQMXFJK-UHFFFAOYSA-N	-1	0	212.604	2.199	30	0		BEACRM
Cc1nn(Cc2ccccc2F)c(C)c1C(=O)[O-]	ZINC000036778147	343323969	/nfs/dbraw/zinc/32/39/69/343323969.db2.gz	MLCBBFGBOHULFG-UHFFFAOYSA-N	-1	0	248.257	2.386	30	0		BEACRM
Cc1cc(C(=O)[O-])n(Cc2ccccc2F)n1	ZINC000071543461	187615350	/nfs/dbraw/zinc/61/53/50/187615350.db2.gz	YTWRXPMYMSRVKP-UHFFFAOYSA-N	-1	0	234.230	2.077	30	0		BEACRM
Cc1nn(Cc2ccc(F)cc2)c(C)c1C(=O)[O-]	ZINC000011920470	187250801	/nfs/dbraw/zinc/25/08/01/187250801.db2.gz	HXVGYHOHYUZYEG-UHFFFAOYSA-N	-1	0	248.257	2.386	30	0		BEACRM
Cc1cc(C(=O)[O-])n(Cc2cccc(F)c2)n1	ZINC000077367945	191006435	/nfs/dbraw/zinc/00/64/35/191006435.db2.gz	KSQQJSFPTVWKJN-UHFFFAOYSA-N	-1	0	234.230	2.077	30	0		BEACRM
CC(C)[C@H](Nc1ccc(F)cc1)C(=O)[O-]	ZINC000036532691	187249251	/nfs/dbraw/zinc/24/92/51/187249251.db2.gz	GPMPXWHKXRHNEO-JTQLQIEISA-N	-1	0	211.236	2.347	30	0		BEACRM
Cc1cc(C(=O)[O-])nn1Cc1ccccc1F	ZINC000071543463	188306093	/nfs/dbraw/zinc/30/60/93/188306093.db2.gz	VNYJATHHZOWAMI-UHFFFAOYSA-N	-1	0	234.230	2.077	30	0		BEACRM
CC(C)[C@@H](Nc1ccc(F)cc1)C(=O)[O-]	ZINC000036532692	167435562	/nfs/dbraw/zinc/43/55/62/167435562.db2.gz	GPMPXWHKXRHNEO-SNVBAGLBSA-N	-1	0	211.236	2.347	30	0		BEACRM
Cc1ccc(C(F)(F)C(=O)[O-])cc1C	ZINC000031829526	385105606	/nfs/dbraw/zinc/10/56/06/385105606.db2.gz	SWSRHSCRJBEGER-UHFFFAOYSA-N	-1	0	200.184	2.480	30	0		BEACRM
O=c1[n-]c(-c2ccccc2)nn1-c1ccccc1	ZINC000015444208	344203713	/nfs/dbraw/zinc/20/37/13/344203713.db2.gz	QULVOSFFSAYNEF-UHFFFAOYSA-N	-1	0	237.262	2.228	30	0		BEACRM
COc1c(C)cc(C(F)(F)C(=O)[O-])cc1C	ZINC000031829514	342790364	/nfs/dbraw/zinc/79/03/64/342790364.db2.gz	PAMQQMYYJSIYRE-UHFFFAOYSA-N	-1	0	230.210	2.488	30	0		BEACRM
Cc1cc(C(=O)[O-])nn1Cc1cccc(F)c1	ZINC000077367943	188136420	/nfs/dbraw/zinc/13/64/20/188136420.db2.gz	STZARVUSRHTWPI-UHFFFAOYSA-N	-1	0	234.230	2.077	30	0		BEACRM
Cc1nn(Cc2cccc(F)c2)c(C)c1C(=O)[O-]	ZINC000011920469	384302276	/nfs/dbraw/zinc/30/22/76/384302276.db2.gz	KAXHWSLQSOSHNQ-UHFFFAOYSA-N	-1	0	248.257	2.386	30	0		BEACRM
O=C([O-])c1c(F)cc(F)c(Cl)c1F	ZINC000034431267	385283379	/nfs/dbraw/zinc/28/33/79/385283379.db2.gz	ZWHWHVAYBHJSBF-UHFFFAOYSA-N	-1	0	210.538	2.456	30	0		BEACRM
CCCCOc1ccc([S@](=O)[O-])cc1	ZINC000095483754	187872640	/nfs/dbraw/zinc/87/26/40/187872640.db2.gz	AQIOYPLGTVAZCJ-UHFFFAOYSA-N	-1	0	214.286	2.446	30	0		BEACRM
O=[S@@]([O-])c1ccc(F)cc1Br	ZINC000036533439	182965252	/nfs/dbraw/zinc/96/52/52/182965252.db2.gz	RUBDNVWETNDKIZ-UHFFFAOYSA-N	-1	0	239.065	2.169	30	0		BEACRM