smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)C(=O)[C@@H]([C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000038142504	717125640	/nfs/dbraw/zinc/12/56/40/717125640.db2.gz	IBATXZHEHNSLNL-ORNXHASESA-N	1	0	410.534	3.477	1	5		HGBFRO
O=[N+]([O-])c1cc2c(cc1N1CC[NH2+]CC1)ncnc2NCCc1ccc(Cl)cc1	ZINC000003994909	132269553	/nfs/dbraw/zinc/26/95/53/132269553.db2.gz	AZIYFYFVCLBQGM-UHFFFAOYSA-N	1	0	412.881	3.256	1	5		HGBFRO
CCCCCCOC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)c1ccccc1	ZINC000103227270	717146217	/nfs/dbraw/zinc/14/62/17/717146217.db2.gz	YZSQAUILEKBORC-KINXCBNHSA-N	1	0	416.538	3.194	1	5		HGBFRO
C[N@H+](Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Cc1ccccc1	ZINC000036338512	581099859	/nfs/dbraw/zinc/09/98/59/581099859.db2.gz	OOIMGNLMHOCHOG-UHFFFAOYSA-N	1	0	405.414	3.372	1	5		HGBFRO
CCCCCCOC(=O)[C@H](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C)c1ccccc1	ZINC000103227265	717146184	/nfs/dbraw/zinc/14/61/84/717146184.db2.gz	YZSQAUILEKBORC-MCSHHISBSA-N	1	0	416.538	3.194	1	5		HGBFRO
COc1cc2c(cc1OC)C(=O)[C@H]([C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000038142506	717125672	/nfs/dbraw/zinc/12/56/72/717125672.db2.gz	IBATXZHEHNSLNL-TUHBOQGPSA-N	1	0	410.534	3.477	1	5		HGBFRO
COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000038142507	717125605	/nfs/dbraw/zinc/12/56/05/717125605.db2.gz	IBATXZHEHNSLNL-LURNQLGZSA-N	1	0	410.534	3.477	1	5		HGBFRO
COc1cc2c(cc1OC)C(=O)[C@H]([C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2	ZINC000038142505	717125724	/nfs/dbraw/zinc/12/57/24/717125724.db2.gz	IBATXZHEHNSLNL-LGGNYIIDSA-N	1	0	410.534	3.477	1	5		HGBFRO
C[N+]1(CCCNC(=O)c2cnc3c4c2cccc4-c2ccccc2C3=O)CCOCC1	ZINC000043020000	717128466	/nfs/dbraw/zinc/12/84/66/717128466.db2.gz	XGJSXQCQULMBCN-UHFFFAOYSA-O	1	0	416.501	3.043	1	5		HGBFRO