smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c2ccccc2ccc1[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000001754415	563295366	/nfs/dbraw/zinc/29/53/66/563295366.db2.gz	BHQMZYFPNOMHJJ-OAQYLSRUSA-N	0	1	317.432	5.121	40	10		DKCBMN
CCN(CC)c1ccc(C=C(C)c2nc3ccc(C)cc3[nH]2)cc1	ZINC000004824581	181157315	/nfs/dbraw/zinc/15/73/15/181157315.db2.gz	UNUMDGCGPLBVCE-PEZBUJJGSA-N	0	1	319.452	5.278	40	10		DKCBMN
[O-]c1c2ccccc2ccc1[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000016973264	182066892	/nfs/dbraw/zinc/06/68/92/182066892.db2.gz	BHQMZYFPNOMHJJ-NRFANRHFSA-N	0	1	317.432	5.121	40	10		DKCBMN
CCN(CC)c1ccc(C=C(C)c2nc3ccc(C)cc3[nH]2)cc1	ZINC000017014659	563413595	/nfs/dbraw/zinc/41/35/95/563413595.db2.gz	UNUMDGCGPLBVCE-JQIJEIRASA-N	0	1	319.452	5.278	40	10		DKCBMN
Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1O	ZINC000019998362	182176019	/nfs/dbraw/zinc/17/60/19/182176019.db2.gz	NNCJCMFZQKUHOF-UHFFFAOYSA-N	0	1	316.615	5.273	40	10		DKCBMN
Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1O	ZINC000020004200	563678293	/nfs/dbraw/zinc/67/82/93/563678293.db2.gz	RTHJUTLKQOABLA-UHFFFAOYSA-N	0	1	316.615	5.273	40	10		DKCBMN
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1Cl	ZINC000021508796	256529709	/nfs/dbraw/zinc/52/97/09/256529709.db2.gz	LCYHLRCUDPOQAB-UHFFFAOYSA-N	0	1	316.615	5.273	40	10		DKCBMN
Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c([N+](=O)[O-])c1	ZINC000254861054	563418364	/nfs/dbraw/zinc/41/83/64/563418364.db2.gz	ZLFVRXUOSPRRKQ-UHFFFAOYSA-N	0	1	307.309	5.177	40	10		DKCBMN