smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@H](O)CO)c2n1	ZINC000045324869	205095889	/nfs/dbraw/zinc/09/58/89/205095889.db2.gz	AOAIQIGKMPIJRP-LBPRGKRZSA-N	0	3	376.844	1.800	1	5		GDBFHN
COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@@H](O)CO)c2n1	ZINC000045324872	205095628	/nfs/dbraw/zinc/09/56/28/205095628.db2.gz	AOAIQIGKMPIJRP-GFCCVEGCSA-N	0	3	376.844	1.800	1	5		GDBFHN
[NH3+]CCCCNc1ccc2c(CNCCO)nn3c2c1c([O-])c1c(=O)cccc13	ZINC000101157092	208386833	/nfs/dbraw/zinc/38/68/33/208386833.db2.gz	MLALAUOKSFGZOH-UHFFFAOYSA-N	0	3	395.463	1.377	1	5		GDBFHN
CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4n(c23)c1=O	ZINC000100960277	208384861	/nfs/dbraw/zinc/38/48/61/208384861.db2.gz	NCPOKZLDLHZLFX-UHFFFAOYSA-N	0	3	392.459	1.949	1	5		GDBFHN
COc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000005423187	209230486	/nfs/dbraw/zinc/23/04/86/209230486.db2.gz	WUIJEMRFIZSWPL-ZDUSSCGKSA-N	0	3	378.429	1.559	1	5	in-man	GDBFHN