smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C[N@H+](C)CC(N)=O)c(C)n1-c1ccc(F)cc1	ZINC000095614985	185016159	/nfs/dbraw/zinc/01/61/59/185016159.db2.gz	GTOBCWQFLJRCDF-UHFFFAOYSA-N	1	1	289.354	2.150	1	10		CECFMO
Cc1cc(C[N@@H+](C)CC(N)=O)c(C)n1-c1ccc(F)cc1	ZINC000095614985	185016160	/nfs/dbraw/zinc/01/61/60/185016160.db2.gz	GTOBCWQFLJRCDF-UHFFFAOYSA-N	1	1	289.354	2.150	1	10		CECFMO
Oc1cc2c(cc1O)[C@H]1Cc3cc4c(cc3[C@@H](C2)[NH2+]1)OCO4	ZINC000027865982	171534664	/nfs/dbraw/zinc/53/46/64/171534664.db2.gz	PKRCIVOCUNHSBA-CHWSQXEVSA-N	1	1	297.310	2.311	1	10		CECFMO
Cc1cc(C)c2c([nH+]1)N[C@@H](c1ccccc1O)NC2=O	ZINC000040408484	174253954	/nfs/dbraw/zinc/25/39/54/174253954.db2.gz	LSAIWXXDYBCVPM-CYBMUJFWSA-N	1	1	269.304	2.258	1	10		CECFMO
Cc1cc(C)c2c([nH+]1)N[C@H](c1ccccc1O)NC2=O	ZINC000040408488	174254201	/nfs/dbraw/zinc/25/42/01/174254201.db2.gz	LSAIWXXDYBCVPM-ZDUSSCGKSA-N	1	1	269.304	2.258	1	10		CECFMO
CO[C@@H]1C=CC2=CC[N@H+]3CCc4cc(O)c(O)cc4[C@]23C1	ZINC000015203705	571735249	/nfs/dbraw/zinc/73/52/49/571735249.db2.gz	GNBQGLMYBIWCOO-DYVFJYSZSA-N	1	1	285.343	2.066	1	10	endogenous,in-man	CECFMO
CCCC[N@H+]1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1	ZINC000045365864	175362706	/nfs/dbraw/zinc/36/27/06/175362706.db2.gz	HOVXXVQWWRCKLN-AWEZNQCLSA-N	1	1	276.380	2.113	1	10		CECFMO
CO[C@@H]1C=CC2=CC[N@H+]3CCc4cc(O)c(O)cc4[C@@]23C1	ZINC000015203708	571735093	/nfs/dbraw/zinc/73/50/93/571735093.db2.gz	GNBQGLMYBIWCOO-CXAGYDPISA-N	1	1	285.343	2.066	1	10	endogenous,in-man	CECFMO