smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C=C(C(=O)NCC[NH2+]Cc2ccccc2[O-])C(C)(C)[NH2+]1	ZINC000040466963	183072886	/nfs/dbraw/zinc/07/28/86/183072886.db2.gz	YMXYGMCPLBITHQ-UHFFFAOYSA-N	1	3	317.433	1.685	10	10		DDCEHO
COc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000180094141	524735128	/nfs/dbraw/zinc/73/51/28/524735128.db2.gz	JKVDQUKDLRLOFE-AWEZNQCLSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000180094141	524735136	/nfs/dbraw/zinc/73/51/36/524735136.db2.gz	JKVDQUKDLRLOFE-AWEZNQCLSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000121135500	408157880	/nfs/dbraw/zinc/15/78/80/408157880.db2.gz	ZHYSJTCLSRORKC-AWEZNQCLSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000121135500	408157884	/nfs/dbraw/zinc/15/78/84/408157884.db2.gz	ZHYSJTCLSRORKC-AWEZNQCLSA-N	1	3	322.449	1.925	10	10		DDCEHO
Nc1c2ccccc2nc2c(C(=O)NCC[NH2+]CCO)cccc12	ZINC000006117626	181313964	/nfs/dbraw/zinc/31/39/64/181313964.db2.gz	LGDNJXAZBBKQQZ-UHFFFAOYSA-N	1	3	324.384	1.282	10	10		DDCEHO
COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000121135678	408158581	/nfs/dbraw/zinc/15/85/81/408158581.db2.gz	ZHYSJTCLSRORKC-CQSZACIVSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000121135678	408158586	/nfs/dbraw/zinc/15/85/86/408158586.db2.gz	ZHYSJTCLSRORKC-CQSZACIVSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000180094159	524734260	/nfs/dbraw/zinc/73/42/60/524734260.db2.gz	JKVDQUKDLRLOFE-CQSZACIVSA-N	1	3	322.449	1.925	10	10		DDCEHO
COc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000180094159	524734271	/nfs/dbraw/zinc/73/42/71/524734271.db2.gz	JKVDQUKDLRLOFE-CQSZACIVSA-N	1	3	322.449	1.925	10	10		DDCEHO