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+]Cc2ccccc2O)C(C)(C)[NH2+]1	ZINC000040466963	183072883	/nfs/dbraw/zinc/07/28/83/183072883.db2.gz	YMXYGMCPLBITHQ-UHFFFAOYSA-N	2	0	317.433	1.685	10	10		DDCERP
COc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000180094141	524735109	/nfs/dbraw/zinc/73/51/09/524735109.db2.gz	JKVDQUKDLRLOFE-AWEZNQCLSA-N	2	0	322.449	1.925	10	10		DDCERP
COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000121135500	408157865	/nfs/dbraw/zinc/15/78/65/408157865.db2.gz	ZHYSJTCLSRORKC-AWEZNQCLSA-N	2	0	322.449	1.925	10	10		DDCERP
Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH2+]CCO)cccc12	ZINC000006117626	181313962	/nfs/dbraw/zinc/31/39/62/181313962.db2.gz	LGDNJXAZBBKQQZ-UHFFFAOYSA-N	2	0	324.384	1.282	10	10		DDCERP
COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000121135678	408158570	/nfs/dbraw/zinc/15/85/70/408158570.db2.gz	ZHYSJTCLSRORKC-CQSZACIVSA-N	2	0	322.449	1.925	10	10		DDCERP
[NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000005117467	181204962	/nfs/dbraw/zinc/20/49/62/181204962.db2.gz	XXOFSLDVRYQVSV-UHFFFAOYSA-N	2	0	324.384	1.203	10	10		DDCERP
COc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000180094159	524734234	/nfs/dbraw/zinc/73/42/34/524734234.db2.gz	JKVDQUKDLRLOFE-CQSZACIVSA-N	2	0	322.449	1.925	10	10		DDCERP