smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)c1ccc([O-])cc1	ZINC000001696581	534982115	/nfs/dbraw/zinc/98/21/15/534982115.db2.gz	GPDYSJOGSNWMDZ-UHFFFAOYSA-N	-1	1	220.312	3.935	50	30		BHEAMM
Cc1ccc([O-])c(C(=O)/C=C/c2ccccc2)c1	ZINC000004252607	342745637	/nfs/dbraw/zinc/74/56/37/342745637.db2.gz	BPAVQKLQOSHOPN-CSKARUKUSA-N	-1	1	238.286	3.597	50	30	biogenic,in-vitro	BHEAMM
Cc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1	ZINC000005102183	178354493	/nfs/dbraw/zinc/35/44/93/178354493.db2.gz	WSNQCLMGWCDWPM-IZZDOVSWSA-N	-1	1	238.286	3.597	50	30		BHEAMM
Cc1ccccc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000005128108	344956946	/nfs/dbraw/zinc/95/69/46/344956946.db2.gz	CFCIAXFIRGJVBG-DHZHZOJOSA-N	-1	1	238.286	3.597	50	30		BHEAMM
CCCCC/C(=N\[O-])c1cc(Cl)ccc1O	ZINC000005417745	342763656	/nfs/dbraw/zinc/76/36/56/342763656.db2.gz	YVXVRVORXVRTNW-SDNWHVSQSA-N	-1	1	241.718	3.804	50	30		BHEAMM
COc1ccc(C)cc1/C(=N/[O-])C1CCCCC1	ZINC000005541877	175073295	/nfs/dbraw/zinc/07/32/95/175073295.db2.gz	CTBCNDWSGRYCSB-FOCLMDBBSA-N	-1	1	247.338	3.762	50	30		BHEAMM
Cc1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1	ZINC000007718010	179002846	/nfs/dbraw/zinc/00/28/46/179002846.db2.gz	XKVURECLLISBPN-BJMVGYQFSA-N	-1	1	238.286	3.597	50	30		BHEAMM
Cc1cc(C)cc(Oc2ccccc2/C=N/[O-])c1	ZINC000013396298	342866815	/nfs/dbraw/zinc/86/68/15/342866815.db2.gz	DQFGOUPURYYCII-MHWRWJLKSA-N	-1	1	241.290	3.904	50	30		BHEAMM
[O-]c1ccc(Cl)cc1/N=C/c1ccccc1O	ZINC000017424947	183300738	/nfs/dbraw/zinc/30/07/38/183300738.db2.gz	MECAZNFEEJTGNK-OVCLIPMQSA-N	-1	1	247.681	3.502	50	30		BHEAMM
Cc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1	ZINC000033414336	178358303	/nfs/dbraw/zinc/35/83/03/178358303.db2.gz	WSNQCLMGWCDWPM-WDZFZDKYSA-N	-1	1	238.286	3.597	50	30		BHEAMM
Cc1ccccc1/C=C\C(=O)c1ccc([O-])cc1	ZINC000033472148	179243961	/nfs/dbraw/zinc/24/39/61/179243961.db2.gz	CFCIAXFIRGJVBG-FLIBITNWSA-N	-1	1	238.286	3.597	50	30		BHEAMM
Cc1cccc(/C=C\C(=O)c2ccc([O-])cc2)c1	ZINC000033472150	188111170	/nfs/dbraw/zinc/11/11/70/188111170.db2.gz	XKVURECLLISBPN-YHYXMXQVSA-N	-1	1	238.286	3.597	50	30		BHEAMM
N#Cc1cccc(-c2cc([O-])cc(Cl)c2)c1F	ZINC000065343240	188129214	/nfs/dbraw/zinc/12/92/14/188129214.db2.gz	YNAZOQWGNKHNEE-UHFFFAOYSA-N	-1	1	247.656	3.723	50	30		BHEAMM
Cc1cc(C)cc(Oc2ccccc2/C=N\[O-])c1	ZINC000096190171	388811024	/nfs/dbraw/zinc/81/10/24/388811024.db2.gz	DQFGOUPURYYCII-YBEGLDIGSA-N	-1	1	241.290	3.904	50	30		BHEAMM
Cc1ccc(C=Nc2cc(Cl)ccc2[O-])o1	ZINC000254486011	388784360	/nfs/dbraw/zinc/78/43/60/388784360.db2.gz	QNEBFMHVIKQZMZ-UHFFFAOYSA-N	-1	1	235.670	3.698	50	30		BHEAMM