smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccccc1C[N@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[NH+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070046	/nfs/dbraw/zinc/07/00/46/519070046.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[NH+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070056	/nfs/dbraw/zinc/07/00/56/519070056.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[NH+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@H+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070059	/nfs/dbraw/zinc/07/00/59/519070059.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[NH+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070068	/nfs/dbraw/zinc/07/00/68/519070068.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[N@H+]1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[NH+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070430	/nfs/dbraw/zinc/07/04/30/519070430.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[NH+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070433	/nfs/dbraw/zinc/07/04/33/519070433.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[NH+]1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[N@H+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070435	/nfs/dbraw/zinc/07/04/35/519070435.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	2	1	495.620	2.979	10	30		JFEEMP
C=CCOc1ccccc1C[NH+]1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070439	/nfs/dbraw/zinc/07/04/39/519070439.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	2	1	495.620	2.979	10	30		JFEEMP