smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccccc2[N+](=O)[O-])(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO	ZINC000004557176	556456960	/nfs/dbraw/zinc/45/69/60/556456960.db2.gz	HWBGFIGDTJBVQD-UKGLLXJRSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO	ZINC000004557184	556456993	/nfs/dbraw/zinc/45/69/93/556456993.db2.gz	OICUZSPXIJAAEA-SDMOBSHPSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000247653940	557193568	/nfs/dbraw/zinc/19/35/68/557193568.db2.gz	OICUZSPXIJAAEA-RURKYGKJSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccccc2[N+](=O)[O-])(C(=O)[O-])O[C@@H]1[C@H](O)[C@@H](O)CO	ZINC000247923461	556643527	/nfs/dbraw/zinc/64/35/27/556643527.db2.gz	HWBGFIGDTJBVQD-KMJZIOSZSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccccc2[N+](=O)[O-])(C(=O)[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000247923466	556643457	/nfs/dbraw/zinc/64/34/57/556643457.db2.gz	HWBGFIGDTJBVQD-QCAZCHCXSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccccc2[N+](=O)[O-])(C(=O)[O-])O[C@@H]1[C@@H](O)[C@H](O)CO	ZINC000247923470	556643542	/nfs/dbraw/zinc/64/35/42/556643542.db2.gz	HWBGFIGDTJBVQD-ZXOPOMJSSA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])O[C@@H]1[C@@H](O)[C@H](O)CO	ZINC000247944131	556648284	/nfs/dbraw/zinc/64/82/84/556648284.db2.gz	OICUZSPXIJAAEA-FWIYDHSISA-N	-1	0	430.366	-1.877	50	5		IABARM
CC(=O)N[C@@H]1[C@H](O)C[C@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])O[C@@H]1[C@H](O)[C@@H](O)CO	ZINC000247944135	556648256	/nfs/dbraw/zinc/64/82/56/556648256.db2.gz	OICUZSPXIJAAEA-XHOLNKINSA-N	-1	0	430.366	-1.877	50	5		IABARM