smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CS(=O)(=O)c1ccccc1)c1sc2ccccc2c1[O-]	ZINC000009614849	453257454	/nfs/dbraw/zinc/25/74/54/453257454.db2.gz	RVDJUAONJMIERH-UHFFFAOYSA-N	-1	2	332.402	3.264	50	10		EGCALM
CC(C)=CCc1c(=O)cc(O)c2c(O)c3ccc([O-])c(O)c3oc1-2	ZINC000014763050	453543571	/nfs/dbraw/zinc/54/35/71/453543571.db2.gz	ZZUFNBISWJNCEE-UHFFFAOYSA-N	-1	2	328.320	3.277	50	10	endogenous,in-man	EGCALM
CC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1ccccc1C(=O)[O-]	ZINC000015930686	453589580	/nfs/dbraw/zinc/58/95/80/453589580.db2.gz	FKRRHOOTCPNQDI-GDNBJRDFSA-N	-1	2	339.326	3.242	50	10		EGCALM
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000000185536	304679854	/nfs/dbraw/zinc/67/98/54/304679854.db2.gz	HZKYZJVWCQCBIB-IZZDOVSWSA-N	-1	2	349.173	3.160	50	10		EGCALM
CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccccc1C(=O)[O-]	ZINC000018996589	453653685	/nfs/dbraw/zinc/65/36/85/453653685.db2.gz	QGDMQNWVATZLIT-WJDWOHSUSA-N	-1	2	335.363	3.412	50	10		EGCALM
CC1=NN(c2ccccc2C)C(=O)C1C=Nc1ccccc1C(=O)[O-]	ZINC000004179583	210140044	/nfs/dbraw/zinc/14/00/44/210140044.db2.gz	GPDVZCLWJLZFGG-RVDMUPIBSA-N	-1	2	335.363	3.412	50	10		EGCALM
Cc1nn2c([nH]c(C)c(Cc3c(F)cccc3Cl)c2=O)c1C(=O)[O-]	ZINC000103795316	219324801	/nfs/dbraw/zinc/32/48/01/219324801.db2.gz	OJRZTNQOPDOFHS-UHFFFAOYSA-N	-1	2	349.749	3.133	50	10		EGCALM