smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000100910780	569775272	/nfs/dbraw/zinc/77/52/72/569775272.db2.gz	CJBHUVMMBVNRBZ-GRDNDAEWSA-N	-2	1	470.359	2.201	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000106336438	569854068	/nfs/dbraw/zinc/85/40/68/569854068.db2.gz	CJBHUVMMBVNRBZ-ZQIUZPCESA-N	-2	1	470.359	2.201	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000221543582	569883711	/nfs/dbraw/zinc/88/37/11/569883711.db2.gz	AJLCTKXPLXJYIC-CPUCHLNUSA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000100910782	569775257	/nfs/dbraw/zinc/77/52/57/569775257.db2.gz	CJBHUVMMBVNRBZ-JJRVBVJISA-N	-2	1	470.359	2.201	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000100910781	569775261	/nfs/dbraw/zinc/77/52/61/569775261.db2.gz	CJBHUVMMBVNRBZ-JKIFEVAISA-N	-2	1	470.359	2.201	50	30		JEEAML
N#Cc1cccnc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000031817807	556407639	/nfs/dbraw/zinc/40/76/39/556407639.db2.gz	OGZDWEKNBFZJFK-QFIPXVFZSA-N	-2	1	476.493	2.186	50	30		JEEAML
N#CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000032961976	569602711	/nfs/dbraw/zinc/60/27/11/569602711.db2.gz	HERDRZYVIIGUOX-UHFFFAOYSA-N	-2	1	450.467	2.499	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000106336445	569854051	/nfs/dbraw/zinc/85/40/51/569854051.db2.gz	AJLCTKXPLXJYIC-ZQIUZPCESA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000100910785	569775204	/nfs/dbraw/zinc/77/52/04/569775204.db2.gz	AJLCTKXPLXJYIC-GRDNDAEWSA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000100910787	569775239	/nfs/dbraw/zinc/77/52/39/569775239.db2.gz	AJLCTKXPLXJYIC-JKIFEVAISA-N	-2	1	471.252	2.489	50	30		JEEAML
C=CCc1c(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)[n-]c1=O	ZINC000018324704	556319613	/nfs/dbraw/zinc/31/96/13/556319613.db2.gz	DKTOJHBUEYXBNS-UHFFFAOYSA-N	-2	1	486.579	2.437	50	30		JEEAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1OC	ZINC000032961964	569602673	/nfs/dbraw/zinc/60/26/73/569602673.db2.gz	GFLPWGUOWMKYLF-UHFFFAOYSA-N	-2	1	474.539	2.238	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000106336441	569854045	/nfs/dbraw/zinc/85/40/45/569854045.db2.gz	CJBHUVMMBVNRBZ-KEYYUXOJSA-N	-2	1	470.359	2.201	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000136537842	569864701	/nfs/dbraw/zinc/86/47/01/569864701.db2.gz	AJLCTKXPLXJYIC-VBQJREDUSA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000002571535	554236785	/nfs/dbraw/zinc/23/67/85/554236785.db2.gz	AJLCTKXPLXJYIC-KEYYUXOJSA-N	-2	1	471.252	2.489	50	30		JEEAML
N#Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000031817801	556407835	/nfs/dbraw/zinc/40/78/35/556407835.db2.gz	OGZDWEKNBFZJFK-JOCHJYFZSA-N	-2	1	476.493	2.186	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000100910792	569775189	/nfs/dbraw/zinc/77/51/89/569775189.db2.gz	AJLCTKXPLXJYIC-CKEIUWERSA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000221543523	569883730	/nfs/dbraw/zinc/88/37/30/569883730.db2.gz	CJBHUVMMBVNRBZ-VBQJREDUSA-N	-2	1	470.359	2.201	50	30		JEEAML
CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC000033007059	569615159	/nfs/dbraw/zinc/61/51/59/569615159.db2.gz	IKHHFEXULYATIK-UHFFFAOYSA-N	-2	1	485.566	2.488	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21	ZINC000100910790	569775213	/nfs/dbraw/zinc/77/52/13/569775213.db2.gz	AJLCTKXPLXJYIC-JJRVBVJISA-N	-2	1	471.252	2.489	50	30		JEEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000221543458	569883691	/nfs/dbraw/zinc/88/36/91/569883691.db2.gz	CJBHUVMMBVNRBZ-CPUCHLNUSA-N	-2	1	470.359	2.201	50	30		JEEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C21	ZINC000100910784	569775192	/nfs/dbraw/zinc/77/51/92/569775192.db2.gz	CJBHUVMMBVNRBZ-CKEIUWERSA-N	-2	1	470.359	2.201	50	30		JEEAML