smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O	ZINC000218362920	241317773	/nfs/dbraw/zinc/31/77/73/241317773.db2.gz	QQTBLSHYUPPBRK-SECBINFHSA-N	-1	1	347.758	1.779	50	70		EDIAMM
O=C(Cn1cnc2ccsc2c1=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000218222805	241308925	/nfs/dbraw/zinc/30/89/25/241308925.db2.gz	WOGYBQPKWIGKCC-UHFFFAOYSA-N	-1	1	344.278	1.234	50	70		EDIAMM
Cc1cc(C)n([C@H]2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)C2)n1	ZINC000218077710	241296094	/nfs/dbraw/zinc/29/60/94/241296094.db2.gz	UOYZTOSQBGZGCW-ZDUSSCGKSA-N	-1	1	337.383	1.824	50	70		EDIAMM
O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1cccc(F)c1F	ZINC000159379703	534871455	/nfs/dbraw/zinc/87/14/55/534871455.db2.gz	BWYBMNFLEQFEOW-NSHDSACASA-N	-1	1	339.367	1.917	50	70		EDIAMM
COc1cc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218304988	241312428	/nfs/dbraw/zinc/31/24/28/241312428.db2.gz	WZFLCFBIYRFPPJ-SNVBAGLBSA-N	-1	1	335.360	1.045	50	70		EDIAMM
COc1ccc2occ([C@H](CC(N)=O)c3c(C)[n-][nH]c3=O)c(=O)c2c1	ZINC000218251248	241309146	/nfs/dbraw/zinc/30/91/46/241309146.db2.gz	LSYIDSGOLVIUNT-JTQLQIEISA-N	-1	1	343.339	1.134	50	70		EDIAMM
COc1ccc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)c(OC)c1OC	ZINC000218293252	536912435	/nfs/dbraw/zinc/91/24/35/536912435.db2.gz	QTHZUWXHJDQJHO-JTQLQIEISA-N	-1	1	335.360	1.045	50	70		EDIAMM
Cc1nn(-c2ccccn2)c(C)c1[C@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218178250	241304662	/nfs/dbraw/zinc/30/46/62/241304662.db2.gz	IGXYHQLDTLSAPN-LBPRGKRZSA-N	-1	1	340.387	1.216	50	70		EDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(Oc2ncccn2)c1	ZINC000218336210	241314826	/nfs/dbraw/zinc/31/48/26/241314826.db2.gz	DPWSQDXNQAUHEA-ZDUSSCGKSA-N	-1	1	339.355	1.601	50	70		EDIAMM
CCn1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)c1C	ZINC000217024187	241232957	/nfs/dbraw/zinc/23/29/57/241232957.db2.gz	AKTCVAQEJSEPKH-LBPRGKRZSA-N	-1	1	349.460	1.709	50	70		EDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1coc2ccc(Cl)cc2c1=O	ZINC000218362852	241317585	/nfs/dbraw/zinc/31/75/85/241317585.db2.gz	QQTBLSHYUPPBRK-VIFPVBQESA-N	-1	1	347.758	1.779	50	70		EDIAMM
COC[C@H]1[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]2CCO[C@H]12	ZINC000218145289	536612446	/nfs/dbraw/zinc/61/24/46/536612446.db2.gz	PZCFVUWLIORTPW-GREKMHCPSA-N	-1	1	325.792	1.754	50	70		EDIAMM
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1[O-]	ZINC000218439314	241320755	/nfs/dbraw/zinc/32/07/55/241320755.db2.gz	QZWPUYRTSXUSOF-GDBMZVCRSA-N	-1	1	347.371	1.496	50	70		EDIAMM
COc1cc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc(OC)c1OC	ZINC000218304958	536884244	/nfs/dbraw/zinc/88/42/44/536884244.db2.gz	WZFLCFBIYRFPPJ-JTQLQIEISA-N	-1	1	335.360	1.045	50	70		EDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2nc1N(C)C	ZINC000218181687	443057724	/nfs/dbraw/zinc/05/77/24/443057724.db2.gz	YALIVWJIOMWJQU-GFCCVEGCSA-N	-1	1	339.399	1.633	50	70		EDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	ZINC000218258500	241310152	/nfs/dbraw/zinc/31/01/52/241310152.db2.gz	ULVFDULICGHVBY-JTQLQIEISA-N	-1	1	329.278	1.917	50	70		EDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1c(Cl)nc2sccn21	ZINC000218221534	241306501	/nfs/dbraw/zinc/30/65/01/241306501.db2.gz	JXTVSCAWQYUMMA-LURJTMIESA-N	-1	1	325.781	1.381	50	70		EDIAMM
COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000217943959	536313145	/nfs/dbraw/zinc/31/31/45/536313145.db2.gz	SJCDOXXINQQFJU-NSHDSACASA-N	-1	1	347.323	1.268	50	70		EDIAMM