smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c[nH+]1)C(=O)/C=C/c1ccccc1	ZINC000004098773	571686401	/nfs/dbraw/zinc/68/64/01/571686401.db2.gz	CSFQQZOIHVWGMN-BBAXEOEJSA-N	1	2	417.462	-0.430	10	0	endogenous,in-man	HBAELO
CC(C)CNC(=O)c1coc(CN2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)n1	ZINC000034677032	557364184	/nfs/dbraw/zinc/36/41/84/557364184.db2.gz	HYFWQISCKFNRQG-KRWDZBQOSA-N	1	2	409.531	-0.129	10	0		HBAELO
CC(C)CNC(=O)c1coc(CN2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)n1	ZINC000034677033	557364117	/nfs/dbraw/zinc/36/41/17/557364117.db2.gz	HYFWQISCKFNRQG-QGZVFWFLSA-N	1	2	409.531	-0.129	10	0		HBAELO
Cn1c2nc(Cc3ccccc3)n(C[C@H](O)C[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000048546341	569358701	/nfs/dbraw/zinc/35/87/01/569358701.db2.gz	SNJAAXZUILPKJJ-MRXNPFEDSA-N	1	2	413.478	-0.282	10	0		HBAELO
Cn1c2nc(Cc3ccccc3)n(C[C@@H](O)C[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000048546343	569358713	/nfs/dbraw/zinc/35/87/13/569358713.db2.gz	SNJAAXZUILPKJJ-INIZCTEOSA-N	1	2	413.478	-0.282	10	0		HBAELO
Cn1c(=O)n(CC(=O)NCC[NH+]2CCOCC2)c(=O)c2cnc(-c3ccccc3)nc21	ZINC000065057373	569162827	/nfs/dbraw/zinc/16/28/27/569162827.db2.gz	IZJSTAPNJISGHY-UHFFFAOYSA-N	1	2	424.461	-0.394	10	0		HBAELO
C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](O)[C@@H]2O)nn1	ZINC000225509830	291164952	/nfs/dbraw/zinc/16/49/52/291164952.db2.gz	UTYHGVIFJIEVHX-FOZNTRSISA-N	1	2	403.439	-0.391	10	0	biogenic	HBAELO