smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3[O-])CC2)cc1	ZINC000053230247	563141385	/nfs/dbraw/zinc/14/13/85/563141385.db2.gz	OYHOETVIOGVJPP-UHFFFAOYSA-N	-1	3	428.470	2.355	1	10		IECFHM
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3[O-])CC2)cc1OC	ZINC000053242963	563141480	/nfs/dbraw/zinc/14/14/80/563141480.db2.gz	UMQNQYUOUMUWRJ-UHFFFAOYSA-N	-1	3	443.525	2.464	1	10		IECFHM
COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)c1[O-]	ZINC000035174215	524131590	/nfs/dbraw/zinc/13/15/90/524131590.db2.gz	PFTNSCOIHWRMNH-VCAMNPENSA-N	-1	3	430.844	2.348	2	10		IECFHM
CO[C@]12[C@H]3N[C@H]3CN1c1c(c([O-])c(/N=N/C(=O)OC(C)(C)C)c(C)c1O)[C@H]2COC(N)=O	ZINC000053127904	563141035	/nfs/dbraw/zinc/14/10/35/563141035.db2.gz	FGMWSXRMSSZPHX-HPGZDJNISA-N	-1	3	449.464	2.121	1	10		IECFHM
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3cccnc3c2[O-])CC1	ZINC000053314291	563142097	/nfs/dbraw/zinc/14/20/97/563142097.db2.gz	IFPYFCNTTMUOMY-UHFFFAOYSA-N	-1	3	428.470	2.355	1	10		IECFHM
COC(=O)NCCc1n[n-]c2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O	ZINC000045338516	563131773	/nfs/dbraw/zinc/13/17/73/563131773.db2.gz	JPZQPQKEEWNUEC-UHFFFAOYSA-N	-1	3	428.228	2.408	1	10		IECFHM
COC(=O)NCCc1[n-]nc2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O	ZINC000045338516	563131774	/nfs/dbraw/zinc/13/17/74/563131774.db2.gz	JPZQPQKEEWNUEC-UHFFFAOYSA-N	-1	3	428.228	2.408	1	10		IECFHM
Cc1ccc(/C=C/C(=O)N2CCN(CCCNC(=O)c3cc(O)c([O-])c(O)c3)CC2)cc1	ZINC000058590522	563145344	/nfs/dbraw/zinc/14/53/44/563145344.db2.gz	RTPNTKLGUUHIBG-BQYQJAHWSA-N	-1	3	439.512	2.089	1	10		IECFHM