smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C	ZINC000291625054	474634699	/nfs/dbraw/zinc/63/46/99/474634699.db2.gz	HFTLQSAPBVTYGP-LRDDRELGSA-N	-1	2	343.383	2.722	10	5		EFBELM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c(O)cc2Cl)[nH]1	ZINC000352028724	146269695	/nfs/dbraw/zinc/26/96/95/146269695.db2.gz	VHGDCFWDQMRIKB-UPHRSURJSA-N	-1	2	344.110	2.979	10	5		EFBELM
O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc(O)c1[N+](=O)[O-]	ZINC000774065565	581481281	/nfs/dbraw/zinc/48/12/81/581481281.db2.gz	ICKBVNXNWWBXFV-UHFFFAOYSA-N	-1	2	331.309	2.983	10	5		EFBELM
CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1	ZINC001638881010	1100894128	/nfs/dbraw/zinc/89/41/28/1100894128.db2.gz	KGOHIDQYBNYHRN-UHFFFAOYSA-N	-1	2	334.259	2.600	10	5		EFBELM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000339059449	474891072	/nfs/dbraw/zinc/89/10/72/474891072.db2.gz	KOZKQFUHSAIURL-LBPRGKRZSA-N	-1	2	343.387	2.676	10	5		EFBELM
O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000339059449	474891078	/nfs/dbraw/zinc/89/10/78/474891078.db2.gz	KOZKQFUHSAIURL-LBPRGKRZSA-N	-1	2	343.387	2.676	10	5		EFBELM
O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436974152	477653715	/nfs/dbraw/zinc/65/37/15/477653715.db2.gz	WSYLCQLRBXRLJM-UHFFFAOYSA-N	-1	2	348.365	2.555	10	5		EFBELM
CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1	ZINC001303884233	1324625096	/nfs/dbraw/zinc/62/50/96/1324625096.db2.gz	KLUKSXSCBCNHGD-UHFFFAOYSA-N	-1	2	334.259	2.600	10	5		EFBELM
C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C	ZINC000291625058	474634248	/nfs/dbraw/zinc/63/42/48/474634248.db2.gz	HFTLQSAPBVTYGP-MLGOLLRUSA-N	-1	2	343.383	2.722	10	5		EFBELM
C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C	ZINC000291625068	474634846	/nfs/dbraw/zinc/63/48/46/474634846.db2.gz	HFTLQSAPBVTYGP-WBMJQRKESA-N	-1	2	343.383	2.722	10	5		EFBELM
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2oc(=S)[n-]c2c1	ZINC001610895263	1098960864	/nfs/dbraw/zinc/96/08/64/1098960864.db2.gz	HUDCZUXNGXRATJ-UHFFFAOYSA-N	-1	2	331.309	2.983	10	5		EFBELM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c(O)cc2Cl)[nH]1	ZINC000352028723	146270213	/nfs/dbraw/zinc/27/02/13/146270213.db2.gz	VHGDCFWDQMRIKB-OWOJBTEDSA-N	-1	2	344.110	2.979	10	5		EFBELM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000339059447	474890950	/nfs/dbraw/zinc/89/09/50/474890950.db2.gz	KOZKQFUHSAIURL-GFCCVEGCSA-N	-1	2	343.387	2.676	10	5		EFBELM
O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000339059447	474890957	/nfs/dbraw/zinc/89/09/57/474890957.db2.gz	KOZKQFUHSAIURL-GFCCVEGCSA-N	-1	2	343.387	2.676	10	5		EFBELM
O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000368221017	150069390	/nfs/dbraw/zinc/06/93/90/150069390.db2.gz	NCKLRSGXLYXGGQ-UHFFFAOYSA-N	-1	2	348.365	2.555	10	5		EFBELM
CCC(=O)c1ccc(O)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1	ZINC000436833600	477606566	/nfs/dbraw/zinc/60/65/66/477606566.db2.gz	KHMCRSYYQXLETO-UHFFFAOYSA-N	-1	2	330.296	2.851	10	5		EFBELM
O=C(Nc1cccc([O-])c1Br)c1ccc([N+](=O)[O-])[nH]1	ZINC001298220438	1323460609	/nfs/dbraw/zinc/46/06/09/1323460609.db2.gz	YWBMRRDVGWFQIM-UHFFFAOYSA-N	-1	2	326.106	2.643	10	5		EFBELM
C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C	ZINC000291625051	474634759	/nfs/dbraw/zinc/63/47/59/474634759.db2.gz	HFTLQSAPBVTYGP-BLLLJJGKSA-N	-1	2	343.383	2.722	10	5		EFBELM
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000338999682	474819727	/nfs/dbraw/zinc/81/97/27/474819727.db2.gz	IZXPMFYTDUXCSC-LQDVMPOASA-N	-1	2	342.399	2.945	10	5		EFBELM
CCC(=O)c1ccc(O)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000436656147	477547556	/nfs/dbraw/zinc/54/75/56/477547556.db2.gz	IEQRQPCFFDBFST-UHFFFAOYSA-N	-1	2	330.296	2.851	10	5		EFBELM
Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000354523453	476705503	/nfs/dbraw/zinc/70/55/03/476705503.db2.gz	UQXLHVWRDKUZCG-UHFFFAOYSA-N	-1	2	329.356	2.923	10	5		EFBELM