smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	ZINC000443406782	1075791547	/nfs/dbraw/zinc/79/15/47/1075791547.db2.gz	FRBVHMPPMBTGHY-UHFFFAOYSA-N	-2	0	420.363	0.848	20	5		HCBDRL
COCCNC(=O)Cn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1	ZINC000499282477	1079132073	/nfs/dbraw/zinc/13/20/73/1079132073.db2.gz	UWBMJSSSZSBLQO-UHFFFAOYSA-N	-2	0	413.412	0.369	20	5		HCBDRL
CNC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-]	ZINC000535019900	1074747564	/nfs/dbraw/zinc/74/75/64/1074747564.db2.gz	YTZUAVNQWUCMFR-SNVBAGLBSA-N	-2	0	422.419	0.966	20	5		HCBDRL
Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)c1=O	ZINC000539942958	1075517234	/nfs/dbraw/zinc/51/72/34/1075517234.db2.gz	SJPBJDZGDRPPDK-UHFFFAOYSA-N	-2	0	419.375	0.978	20	5		HCBDRL
O=C(Cn1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1)N1CCOCC1	ZINC000609761421	1078537148	/nfs/dbraw/zinc/53/71/48/1078537148.db2.gz	MZFOCARZXQELMF-UHFFFAOYSA-N	-2	0	411.396	0.157	20	5		HCBDRL
C[C@@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000916104359	1078063770	/nfs/dbraw/zinc/06/37/70/1078063770.db2.gz	YKNDVGDUYBUTQV-INIZCTEOSA-N	-2	0	406.376	0.961	20	5		HCBDRL
C[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000916104360	1078063859	/nfs/dbraw/zinc/06/38/59/1078063859.db2.gz	YKNDVGDUYBUTQV-MRXNPFEDSA-N	-2	0	406.376	0.961	20	5		HCBDRL