smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1c([S-])n(-c2ccccc2)n(-c2ccccc2)c1=S	ZINC000001584870	563394634	/nfs/dbraw/zinc/39/46/34/563394634.db2.gz	OPCRSWDCMZJUBB-UHFFFAOYSA-N	-1	1	340.517	5.389	40	0		EKABMM
CCCCCCc1cc2cc(-c3nc(C)cs3)c(=O)oc2cc1[O-]	ZINC000003108091	564155179	/nfs/dbraw/zinc/15/51/79/564155179.db2.gz	IVFMNRPWSSLYHN-UHFFFAOYSA-N	-1	1	343.448	5.053	40	0		EKABMM
CCCCCCc1ccc2c(C(=O)CCCCC)ccc([O-])c2n1	ZINC000005393194	563530675	/nfs/dbraw/zinc/53/06/75/563530675.db2.gz	FOWFPSRKRQOJAK-UHFFFAOYSA-N	-1	1	327.468	5.826	40	0		EKABMM
COc1ccccc1C1=Nc2ccccc2N=C(c2ccccc2[O-])C1	ZINC000005758958	563549506	/nfs/dbraw/zinc/54/95/06/563549506.db2.gz	LECPLPRIFMXKDQ-UHFFFAOYSA-N	-1	1	342.398	5.046	40	0		EKABMM
S=c1[n-]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1	ZINC000008628060	563633656	/nfs/dbraw/zinc/63/36/56/563633656.db2.gz	LBLGDKGQEWIDHT-UHFFFAOYSA-N	-1	1	340.451	6.140	40	0		EKABMM
CCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000020158450	212107319	/nfs/dbraw/zinc/10/73/19/212107319.db2.gz	KMCBAZAVZVPFHB-UHFFFAOYSA-N	-1	1	340.448	5.188	40	0		EKABMM
O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1	ZINC000041091130	563924164	/nfs/dbraw/zinc/92/41/64/563924164.db2.gz	CUKQHMINGWDQMM-UHFFFAOYSA-N	-1	1	349.883	5.189	40	0		EKABMM
CCCC(=O)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1	ZINC000070462017	564063597	/nfs/dbraw/zinc/06/35/97/564063597.db2.gz	RWQLXAQUVXAQLX-UHFFFAOYSA-N	-1	1	338.407	5.062	40	0		EKABMM
CCCCCC(=O)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1	ZINC000070462024	564063639	/nfs/dbraw/zinc/06/36/39/564063639.db2.gz	GZLUECGMDLNSFZ-UHFFFAOYSA-N	-1	1	338.407	5.028	40	0		EKABMM
CCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1	ZINC000070462040	564063617	/nfs/dbraw/zinc/06/36/17/564063617.db2.gz	VWWWCFZVEPBQCK-UHFFFAOYSA-N	-1	1	338.407	5.062	40	0		EKABMM
CCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c([O-])c1	ZINC000070462047	564063624	/nfs/dbraw/zinc/06/36/24/564063624.db2.gz	UBAPAZSCLDCFAO-UHFFFAOYSA-N	-1	1	338.407	5.028	40	0		EKABMM
[O-]c1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl	ZINC000076272412	563921546	/nfs/dbraw/zinc/92/15/46/563921546.db2.gz	FLFYDMYJIJYBHX-UHFFFAOYSA-N	-1	1	325.795	5.450	40	0		EKABMM