smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\[O-])c1ccccc1OCc1ccccc1Br	ZINC000019809261	182152961	/nfs/dbraw/zinc/15/29/61/182152961.db2.gz	TTWLFZQBHYFVCQ-GZTJUZNOSA-N	-1	1	320.186	4.226	10	30		DIEEMM
CC(C)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000584598899	337370651	/nfs/dbraw/zinc/37/06/51/337370651.db2.gz	NICUYWDXRIEXCX-WEVVVXLNSA-N	-1	1	310.349	4.110	10	30		DIEEMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1cc(Cl)cc(Cl)c1	ZINC000072238407	191081737	/nfs/dbraw/zinc/08/17/37/191081737.db2.gz	VFLVZDKVJUXIPK-XGICHPGQSA-N	-1	1	323.131	4.021	10	30		DIEEMM
C/C(=N\[O-])c1ccccc1OCc1cccc(Br)c1	ZINC000019809235	182152875	/nfs/dbraw/zinc/15/28/75/182152875.db2.gz	LUNYBOQPCJCPBN-GZTJUZNOSA-N	-1	1	320.186	4.226	10	30		DIEEMM
O=C1c2ccc([O-])c(O)c2O/C1=C\c1cccc(Cl)c1Cl	ZINC000033978455	527123267	/nfs/dbraw/zinc/12/32/67/527123267.db2.gz	HFZSDRFLOLOUDJ-WDZFZDKYSA-N	-1	1	323.131	4.021	10	30		DIEEMM
C=CCn1c(COc2ccccc2C(C)(C)C)n[n-]c1=S	ZINC000064871726	184305182	/nfs/dbraw/zinc/30/51/82/184305182.db2.gz	OLEPQWRACIFSEZ-UHFFFAOYSA-N	-1	1	303.431	4.003	10	30		DIEEMM
CC(C)C[C@@H]1CC(=O)C(C(=S)Nc2ccccc2)=C([O-])C1	ZINC000584616388	337372921	/nfs/dbraw/zinc/37/29/21/337372921.db2.gz	CTNPBLOLWJMISE-LBPRGKRZSA-N	-1	1	303.427	4.263	10	30		DIEEMM
C/C(=N\[O-])c1ccccc1OCc1ccc(Br)cc1	ZINC000019809284	182152908	/nfs/dbraw/zinc/15/29/08/182152908.db2.gz	MPXKDMOGMMEYPJ-GZTJUZNOSA-N	-1	1	320.186	4.226	10	30		DIEEMM
C=CCn1c(COc2ccc(-c3ccccc3)cc2)n[n-]c1=S	ZINC000064871782	184305092	/nfs/dbraw/zinc/30/50/92/184305092.db2.gz	NFRYXXQHRUSEER-UHFFFAOYSA-N	-1	1	323.421	4.373	10	30		DIEEMM
C=CCn1c(COc2ccc(C)cc2C(C)(C)C)n[n-]c1=S	ZINC000064871710	184305457	/nfs/dbraw/zinc/30/54/57/184305457.db2.gz	FJAFCCHNOWGRKZ-UHFFFAOYSA-N	-1	1	317.458	4.312	10	30		DIEEMM
C=CCn1c(=S)[n-]nc1CSCc1ccccc1Cl	ZINC000038536760	183001814	/nfs/dbraw/zinc/00/18/14/183001814.db2.gz	DIKKZARZNSHDDJ-UHFFFAOYSA-N	-1	1	311.863	4.213	10	30		DIEEMM
C/C(=N\[O-])c1cccc(OCc2ccccc2Br)c1	ZINC000019809361	182152752	/nfs/dbraw/zinc/15/27/52/182152752.db2.gz	HPQVUHNUZRWAEC-GZTJUZNOSA-N	-1	1	320.186	4.226	10	30		DIEEMM
C/C(=N\[O-])c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1	ZINC000020012743	182177636	/nfs/dbraw/zinc/17/76/36/182177636.db2.gz	QMCMHQQZJLEGMG-DJKKODMXSA-N	-1	1	323.179	4.444	10	30		DIEEMM
C/C(=N\[O-])c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1	ZINC000020023556	182179544	/nfs/dbraw/zinc/17/95/44/182179544.db2.gz	FBTVWFJYBNEDIO-DJKKODMXSA-N	-1	1	323.179	4.444	10	30		DIEEMM
Cc1n[n-]c(=S)n1N=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000033289504	526481035	/nfs/dbraw/zinc/48/10/35/526481035.db2.gz	RLJNZUGJKSSECY-CPSFFCFKSA-N	-1	1	321.620	4.092	10	30		DIEEMM
CC(C)C[C@H]1CC(=O)C(C(=S)Nc2ccccc2)=C([O-])C1	ZINC000584616387	337372878	/nfs/dbraw/zinc/37/28/78/337372878.db2.gz	CTNPBLOLWJMISE-GFCCVEGCSA-N	-1	1	303.427	4.263	10	30		DIEEMM
Cc1cc(Br)c([O-])c(/C=N/c2c(C)cccc2O)c1	ZINC000000224257	563579560	/nfs/dbraw/zinc/57/95/60/563579560.db2.gz	MGIJEMGDIMZNEO-CAOOACKPSA-N	-1	1	320.186	4.228	10	30		DIEEMM
CC1(C)CCc2c([O-])c(C(=O)/C=C/c3ccc(O)cc3)ccc2O1	ZINC000005963645	181301323	/nfs/dbraw/zinc/30/13/23/181301323.db2.gz	UDSAJERKQRQHJR-WEVVVXLNSA-N	-1	1	324.376	4.098	10	30	biogenic,in-vitro	DIEEMM
N#Cc1cc(-c2cc([O-])cc(Br)c2)ccc1Cl	ZINC000065343881	184325677	/nfs/dbraw/zinc/32/56/77/184325677.db2.gz	BZIHHYWXNJHIKR-UHFFFAOYSA-N	-1	1	308.562	4.347	10	30		DIEEMM
CC(C)c1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2[nH]1	ZINC000005911470	181295775	/nfs/dbraw/zinc/29/57/75/181295775.db2.gz	FBHDLSCQTPOLKJ-GIJQJNRQSA-N	-1	1	324.340	4.051	10	30		DIEEMM