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-])c1ccc(F)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000223369406	464142203	/nfs/dbraw/zinc/14/22/03/464142203.db2.gz	LSQFCJJRIUVTJX-UHFFFAOYSA-N	-1	2	340.288	2.233	40	5		EEBBLM
O=C([O-])/C=C/c1cc([N+](=O)[O-])cc(I)c1O	ZINC000083324671	463544846	/nfs/dbraw/zinc/54/48/46/463544846.db2.gz	DBPHNDKXDHZSJF-OWOJBTEDSA-N	-1	2	335.053	2.003	40	5		EEBBLM
Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000065844568	462833439	/nfs/dbraw/zinc/83/34/39/462833439.db2.gz	HFONDTILMSNODA-UHFFFAOYSA-N	-1	2	336.325	2.402	40	5		EEBBLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000223370749	464141637	/nfs/dbraw/zinc/14/16/37/464141637.db2.gz	ANCHSWYUBDMOQG-UHFFFAOYSA-N	-1	2	340.288	2.233	40	5		EEBBLM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)cc(Cl)c2O)[nH]1	ZINC000006452809	462686802	/nfs/dbraw/zinc/68/68/02/462686802.db2.gz	OEHPQNDZBHJRBE-OWOJBTEDSA-N	-1	2	344.110	2.154	40	5		EEBBLM
CN(C)c1ccc(C(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(O)c1	ZINC000002387144	462592974	/nfs/dbraw/zinc/59/29/74/462592974.db2.gz	ISSFRVNVTUDNLA-UHFFFAOYSA-N	-1	2	330.296	2.296	40	5	in-vitro	EEBBLM
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000014097277	462909903	/nfs/dbraw/zinc/90/99/03/462909903.db2.gz	AXSPOSQNQCLQDP-UHFFFAOYSA-N	-1	2	336.325	2.402	40	5		EEBBLM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013059809	462883563	/nfs/dbraw/zinc/88/35/63/462883563.db2.gz	NORYCNFECIXCNN-UHFFFAOYSA-N	-1	2	336.325	2.402	40	5		EEBBLM