smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000032985239	569608290	/nfs/dbraw/zinc/60/82/90/569608290.db2.gz	RCTUOCPLTBJFAR-UHFFFAOYSA-N	-2	1	493.589	3.332	50	30		JGEAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985203	569608288	/nfs/dbraw/zinc/60/82/88/569608288.db2.gz	VLUYHVNOLZGWHM-UHFFFAOYSA-N	-2	1	493.589	3.386	50	30		JGEAML
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961970	569602669	/nfs/dbraw/zinc/60/26/69/569602669.db2.gz	PUDRJZFISJWZPY-UHFFFAOYSA-N	-2	1	470.595	3.420	50	30		JGEAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1C	ZINC000032961977	569602746	/nfs/dbraw/zinc/60/27/46/569602746.db2.gz	BWHWAWWMRVCXMB-UHFFFAOYSA-N	-2	1	456.568	3.147	50	30		JGEAML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cc1OC	ZINC000001119238	553911278	/nfs/dbraw/zinc/91/12/78/553911278.db2.gz	HIMNYPYYSIZUPJ-UHFFFAOYSA-N	-2	1	476.532	3.198	50	30		JGEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)nc1[O-]	ZINC000006996796	554563210	/nfs/dbraw/zinc/56/32/10/554563210.db2.gz	UPDBTCIHOCRTQM-PPAWOMOGSA-N	-2	1	462.325	3.424	50	30		JGEAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(N3CCN(CCC#N)CC3)cc(C(=O)[O-])c2c1	ZINC000032985263	569608480	/nfs/dbraw/zinc/60/84/80/569608480.db2.gz	SGWIEIYPXMHXFQ-UHFFFAOYSA-N	-2	1	497.552	3.217	50	30		JGEAML
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985291	569608489	/nfs/dbraw/zinc/60/84/89/569608489.db2.gz	CAACDAHFZKORKQ-UHFFFAOYSA-N	-2	1	493.589	3.386	50	30		JGEAML
Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985278	569608471	/nfs/dbraw/zinc/60/84/71/569608471.db2.gz	QGIKQUKWZGRWRA-UHFFFAOYSA-N	-2	1	479.562	3.078	50	30		JGEAML
N#CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c(C(=O)[O-])c2)CC1	ZINC000033007108	569615176	/nfs/dbraw/zinc/61/51/76/569615176.db2.gz	URXNBUCFROKPMZ-UHFFFAOYSA-N	-2	1	466.922	3.014	50	30		JGEAML
CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(C1=C([O-])COC1=O)C1=C([O-])COC1=O	ZINC000101368620	569794526	/nfs/dbraw/zinc/79/45/26/569794526.db2.gz	GRZQCUNXXLMZEI-LJQANCHMSA-N	-2	1	452.419	3.053	50	30		JGEAML
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000040129687	569817006	/nfs/dbraw/zinc/81/70/06/569817006.db2.gz	PNMNXYNKBGQCTB-UHFFFAOYSA-N	-2	1	487.559	3.448	50	30		JGEAML
O=C([O-])Cc1sc(NN=Cc2cccc(OCc3ccc(Br)cc3)c2)nc1[O-]	ZINC000006974588	554562992	/nfs/dbraw/zinc/56/29/92/554562992.db2.gz	XVTHQBIOHKUHPS-CTJICSLTSA-N	-2	1	462.325	3.424	50	30		JGEAML
Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(N3CCN(CCC#N)CC3)cc(C(=O)[O-])c2c1	ZINC000032985251	569608263	/nfs/dbraw/zinc/60/82/63/569608263.db2.gz	YRBUXUDIZMPNNY-UHFFFAOYSA-N	-2	1	479.562	3.078	50	30		JGEAML
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000002995608	554421327	/nfs/dbraw/zinc/42/13/27/554421327.db2.gz	SDEOQUKZPZVBRT-MHWRWJLKSA-N	-2	1	456.907	3.430	50	30		JGEAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961967	569602753	/nfs/dbraw/zinc/60/27/53/569602753.db2.gz	SONRLEXJPSGQQU-UHFFFAOYSA-N	-2	1	456.568	3.345	50	30		JGEAML
Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)cc1C	ZINC000032985225	569608330	/nfs/dbraw/zinc/60/83/30/569608330.db2.gz	XMPDKJWRNIGHNM-UHFFFAOYSA-N	-2	1	493.589	3.386	50	30		JGEAML
CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(C1=C([O-])COC1=O)C1=C([O-])COC1=O	ZINC000101368616	569794553	/nfs/dbraw/zinc/79/45/53/569794553.db2.gz	GRZQCUNXXLMZEI-IBGZPJMESA-N	-2	1	452.419	3.053	50	30		JGEAML