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(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040764027	563148035	/nfs/dbraw/zinc/14/80/35/563148035.db2.gz	HWGKIGOABHBWIB-JOCHJYFZSA-N	1	2	472.452	1.810	1	5		JDBFLO
COc1ccccc1N1CC[NH+](CCNC(=O)c2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1	ZINC000045284121	563183551	/nfs/dbraw/zinc/18/35/51/563183551.db2.gz	JIMZYWHOJZKVBJ-UHFFFAOYSA-N	1	2	451.487	1.736	1	5		JDBFLO
NC(=S)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000006716473	562938080	/nfs/dbraw/zinc/93/80/80/562938080.db2.gz	ZEOBXUCIQPLIHF-HNNXBMFYSA-N	1	2	478.506	1.808	1	5		JDBFLO
COc1cc2c3cnc4cc5c(cc4c3n(CC[N@H+](C)CC(N)=O)c(=O)c2cc1OC)OCO5	ZINC000040420675	563141316	/nfs/dbraw/zinc/14/13/16/563141316.db2.gz	JKFCYKIUKIPBBM-UHFFFAOYSA-N	1	2	464.478	1.866	1	5		JDBFLO
COc1cc2c3cnc4cc5c(cc4c3n(CC[N@@H+](C)CC(N)=O)c(=O)c2cc1OC)OCO5	ZINC000040420675	563141317	/nfs/dbraw/zinc/14/13/17/563141317.db2.gz	JKFCYKIUKIPBBM-UHFFFAOYSA-N	1	2	464.478	1.866	1	5		JDBFLO
COCC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045256178	563182725	/nfs/dbraw/zinc/18/27/25/563182725.db2.gz	FPTUAPULFWEEAM-KRWDZBQOSA-N	1	2	491.476	1.737	1	5		JDBFLO
O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040764140	563148112	/nfs/dbraw/zinc/14/81/12/563148112.db2.gz	KMFYJQMJXRKBEM-JOCHJYFZSA-N	1	2	472.452	1.810	1	5		JDBFLO
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040764028	563148047	/nfs/dbraw/zinc/14/80/47/563148047.db2.gz	HWGKIGOABHBWIB-QFIPXVFZSA-N	1	2	472.452	1.810	1	5		JDBFLO
O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040764141	563148176	/nfs/dbraw/zinc/14/81/76/563148176.db2.gz	KMFYJQMJXRKBEM-QFIPXVFZSA-N	1	2	472.452	1.810	1	5		JDBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])n4C)CC3)c(F)c2)C(=O)O1	ZINC000028522987	563066723	/nfs/dbraw/zinc/06/67/23/563066723.db2.gz	KKQMJEATQYCSNO-SFHVURJKSA-N	1	2	474.493	1.856	1	5		JDBFLO
CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)[NH+]1CCOCC1	ZINC000013138311	562961649	/nfs/dbraw/zinc/96/16/49/562961649.db2.gz	LQFULJSNXDVJAL-UHFFFAOYSA-N	1	2	488.994	1.876	3	5		JDBFLO