smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-]	ZINC000097002765	543001942	/nfs/dbraw/zinc/00/19/42/543001942.db2.gz	ACLJAOCVNHZPPD-WDEREUQCSA-N	-2	3	374.415	2.161	50	5		FEBAHL
O=c1c2ccccc2c([O-])c2sc3nnc(-c4ccccc4[O-])n3nc1-2	ZINC000261491957	549731263	/nfs/dbraw/zinc/73/12/63/549731263.db2.gz	MSKHBLLDTSUHHM-UHFFFAOYSA-N	-2	3	362.370	2.090	50	5		FEBAHL
CCOc1cc(Cl)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1[O-]	ZINC000009189661	204357329	/nfs/dbraw/zinc/35/73/29/204357329.db2.gz	OWVIPRPKTARGCM-ONEGZZNKSA-N	-3	3	353.718	2.312	50	5		FEBAHL
O=c1nc(C=Cc2ccc(OCc3ccccn3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009273861	207263991	/nfs/dbraw/zinc/26/39/91/207263991.db2.gz	GHAZFWIPPJPLRF-RMKNXTFCSA-N	-2	3	366.333	2.116	50	5		FEBAHL
Cc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000004173476	207004322	/nfs/dbraw/zinc/00/43/22/207004322.db2.gz	OJONMIMHCSATCE-NSCUHMNNSA-N	-2	3	368.143	2.331	50	5		FEBAHL
O=c1nc(C=Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840506	539892009	/nfs/dbraw/zinc/89/20/09/539892009.db2.gz	CCAODUBCHJOUIE-RQOWECAXSA-N	-2	3	356.107	2.043	50	5		FEBAHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000097002766	222148997	/nfs/dbraw/zinc/14/89/97/222148997.db2.gz	ACLJAOCVNHZPPD-GHMZBOCLSA-N	-2	3	374.415	2.161	50	5		FEBAHL
COc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-]	ZINC000019940217	539671965	/nfs/dbraw/zinc/67/19/65/539671965.db2.gz	AIFCWGQUUBJDDH-UHFFFAOYSA-N	-2	3	359.342	2.258	50	5		FEBAHL
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N-]c2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000100569073	209214684	/nfs/dbraw/zinc/21/46/84/209214684.db2.gz	RSJAVKJOYGIUHT-UHFFFAOYSA-N	-2	3	363.242	2.435	50	5		FEBAHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-]	ZINC000097002767	543002120	/nfs/dbraw/zinc/00/21/20/543002120.db2.gz	ACLJAOCVNHZPPD-QWRGUYRKSA-N	-2	3	374.415	2.161	50	5		FEBAHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)ccc1[O-]	ZINC000012521262	539562416	/nfs/dbraw/zinc/56/24/16/539562416.db2.gz	RPHVKBCKZWSVOK-UHFFFAOYSA-N	-2	3	366.351	2.263	50	5		FEBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2[O-])[nH]1	ZINC000003898358	539374476	/nfs/dbraw/zinc/37/44/76/539374476.db2.gz	DVPCHIHYYCWWSD-HNQUOIGGSA-N	-2	3	354.116	2.022	50	5		FEBAHL
COc1ccc([N-]C(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000015637172	211134099	/nfs/dbraw/zinc/13/40/99/211134099.db2.gz	LDVDNDWOKNWEDX-UHFFFAOYSA-N	-2	3	361.266	2.462	50	5		FEBAHL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1[O-]	ZINC000010079053	539512275	/nfs/dbraw/zinc/51/22/75/539512275.db2.gz	PHLIVUDQUAENOD-ONEGZZNKSA-N	-3	3	353.718	2.312	50	5		FEBAHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005756854	539415834	/nfs/dbraw/zinc/41/58/34/539415834.db2.gz	DUGCZLCWLWLCEF-UHFFFAOYSA-N	-2	3	350.780	2.172	50	5		FEBAHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-]	ZINC000097002768	222149725	/nfs/dbraw/zinc/14/97/25/222149725.db2.gz	ACLJAOCVNHZPPD-MNOVXSKESA-N	-2	3	374.415	2.161	50	5		FEBAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-]	ZINC000024432919	539731472	/nfs/dbraw/zinc/73/14/72/539731472.db2.gz	HNBNFVIQBRDWMQ-UHFFFAOYSA-N	-2	3	370.314	2.242	50	5		FEBAHL