smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c([O-])cc3sc4ccccc4c3c21	ZINC000035323597	213022316	/nfs/dbraw/zinc/02/23/16/213022316.db2.gz	DUQRDBOFNUXCQS-UHFFFAOYSA-N	-1	1	330.364	4.536	40	10		EJCBMM
CCOC(=O)NC(=S)[N-]c1ccc(N=Nc2ccccc2)cc1	ZINC000100834541	563982777	/nfs/dbraw/zinc/98/27/77/563982777.db2.gz	LJSDARWRZBIXEY-VXPUYCOJSA-N	-1	1	328.397	4.545	40	10		EJCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000408807346	564007301	/nfs/dbraw/zinc/00/73/01/564007301.db2.gz	BWBWVZKFFMOXQR-YVLHZVERSA-N	-1	1	340.448	4.541	40	10		EJCBMM
CC(C)N1c2ccc(C=C3SC(=O)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000260565751	564019458	/nfs/dbraw/zinc/01/94/58/564019458.db2.gz	JVUAGQVIBKMEQO-GFQQVXNGSA-N	-1	1	344.480	4.511	40	10		EJCBMM
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(O)cc3)cc2)C=CC1=O	ZINC000004683277	210246586	/nfs/dbraw/zinc/24/65/86/210246586.db2.gz	AUJMZPGZDYABQC-QZQOTICOSA-N	-1	1	334.331	4.878	40	10		EJCBMM
CCc1ccccc1-n1c(C)cc(C=C2SC(=S)[N-]C2=O)c1C	ZINC000033316893	564050115	/nfs/dbraw/zinc/05/01/15/564050115.db2.gz	UKBMWAHBLJFZBJ-YBEGLDIGSA-N	-1	1	342.489	4.986	40	10		EJCBMM
CC1=C(C)C[C@@H]2C(=O)c3c(Cl)c4ccccc4c([O-])c3C(=O)[C@@H]2C1	ZINC000001585201	563394715	/nfs/dbraw/zinc/39/47/15/563394715.db2.gz	LCUHMZGUYAPOCX-UONOGXRCSA-N	-1	1	340.806	4.940	40	10		EJCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000016268507	563807534	/nfs/dbraw/zinc/80/75/34/563807534.db2.gz	ZWXSPSKRYAJYQU-WQRHYEAKSA-N	-1	1	348.427	4.571	40	10		EJCBMM
CC1=C(C)C[C@@H]2C(=O)c3c(Cl)c4ccccc4c([O-])c3C(=O)[C@H]2C1	ZINC000104234416	204101442	/nfs/dbraw/zinc/10/14/42/204101442.db2.gz	LCUHMZGUYAPOCX-KBPBESRZSA-N	-1	1	340.806	4.940	40	10		EJCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc2ccccc21	ZINC000007154827	564015370	/nfs/dbraw/zinc/01/53/70/564015370.db2.gz	OWIWVJSIDAWBAD-WQRHYEAKSA-N	-1	1	348.427	4.571	40	10		EJCBMM
CC1=C(C)C[C@@H]2C(=O)c3c([O-])c4ccccc4c(Cl)c3C(=O)[C@@H]2C1	ZINC000104234413	219363164	/nfs/dbraw/zinc/36/31/64/219363164.db2.gz	LCUHMZGUYAPOCX-KGLIPLIRSA-N	-1	1	340.806	4.940	40	10		EJCBMM
CC(C)N1c2ccc(C=C3SC(=O)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223550254	241663898	/nfs/dbraw/zinc/66/38/98/241663898.db2.gz	JVUAGQVIBKMEQO-RGZVIEDOSA-N	-1	1	344.480	4.511	40	10		EJCBMM
CC(=Nc1cccc2ccccc21)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112112441	564018148	/nfs/dbraw/zinc/01/81/48/564018148.db2.gz	GOISNNJKZVKBKJ-QNGOZBTKSA-N	-1	1	341.414	4.948	40	10		EJCBMM
Cc1nn(C(=O)c2ccc([O-])cc2)c(C)c1/N=N\c1cccc(C)c1	ZINC000104280379	219369118	/nfs/dbraw/zinc/36/91/18/219369118.db2.gz	LNAFQAIKISJKDO-MRCUWXFGSA-N	-1	1	334.379	4.618	40	10		EJCBMM
O=C([O-])C1=CC(=NNc2ccc(-c3ccc(O)cc3)cc2)C=CC1=O	ZINC000104221636	219361800	/nfs/dbraw/zinc/36/18/00/219361800.db2.gz	AUJMZPGZDYABQC-MRCUWXFGSA-N	-1	1	334.331	4.878	40	10		EJCBMM
O=c1c(C(=Nc2ccccc2)c2ccccc2)c[n-]n1-c1ccccc1	ZINC000016952846	563826770	/nfs/dbraw/zinc/82/67/70/563826770.db2.gz	DNNQINLTCAWLFZ-MRCUWXFGSA-N	-1	1	339.398	4.542	40	10		EJCBMM
CC(=Nc1ccc(Cl)c(F)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112113384	564018144	/nfs/dbraw/zinc/01/81/44/564018144.db2.gz	MAWMPFFMTYDYMK-BOPFTXTBSA-N	-1	1	343.789	4.588	40	10		EJCBMM
Cc1nn(C(=O)c2ccc([O-])cc2)c(C)c1/N=N/c1cccc(C)c1	ZINC000017192605	563839942	/nfs/dbraw/zinc/83/99/42/563839942.db2.gz	LNAFQAIKISJKDO-QZQOTICOSA-N	-1	1	334.379	4.618	40	10		EJCBMM
CC1=C(C)C[C@H]2C(=O)c3c(Cl)c4ccccc4c([O-])c3C(=O)[C@@H]2C1	ZINC000104234410	219362668	/nfs/dbraw/zinc/36/26/68/219362668.db2.gz	LCUHMZGUYAPOCX-ZIAGYGMSSA-N	-1	1	340.806	4.940	40	10		EJCBMM