smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000020611638	568636964	/nfs/dbraw/zinc/63/69/64/568636964.db2.gz	ZUZXJAQVPBATTD-CARRXDPWSA-N	0	2	411.342	-2.318	50	10	biogenic	HACALN
O=C1N=C(S)NC(=O)C1=CNCCCCCCNC=C1C(=O)NC(=S)NC1=O	ZINC000020808101	558416218	/nfs/dbraw/zinc/41/62/18/558416218.db2.gz	KJOKNQTWEHYMMF-UHFFFAOYSA-N	0	2	424.508	-1.444	50	10		HACALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000026788997	569056683	/nfs/dbraw/zinc/05/66/83/569056683.db2.gz	ZUZXJAQVPBATTD-HGNHWWPRSA-N	0	2	411.342	-2.318	50	10		HACALN
O=C1NC(=O)C(=CNc2ccc(O)c(NC=C3C(=O)NC(=O)NC3=O)c2)C(=O)N1	ZINC000096576716	568761411	/nfs/dbraw/zinc/76/14/11/568761411.db2.gz	HJNYQVZDNHSCSA-UHFFFAOYSA-N	0	2	400.307	-1.284	50	10		HACALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000253488229	569381769	/nfs/dbraw/zinc/38/17/69/569381769.db2.gz	ZUZXJAQVPBATTD-MCNSBANFSA-N	0	2	411.342	-1.478	50	10		HACALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000253488230	569381795	/nfs/dbraw/zinc/38/17/95/569381795.db2.gz	ZUZXJAQVPBATTD-RHLSCYDESA-N	0	2	411.342	-1.478	50	10		HACALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CN[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000253488231	569381749	/nfs/dbraw/zinc/38/17/49/569381749.db2.gz	ZUZXJAQVPBATTD-XGIBVJRESA-N	0	2	411.342	-1.478	50	10		HACALN