smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C(=O)N(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(C)C	ZINC000105050674	557474711	/nfs/dbraw/zinc/47/47/11/557474711.db2.gz	OJTVGHIOIAPTKF-GGAORHGYSA-N	0	3	441.547	4.843	10	5		IJBEHN
CC(C)C(=O)N(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(C)C	ZINC000245328426	569503915	/nfs/dbraw/zinc/50/39/15/569503915.db2.gz	OJTVGHIOIAPTKF-GMAHTHKFSA-N	0	3	441.547	4.843	10	5		IJBEHN
CC(C)C(=O)N(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740811	568737779	/nfs/dbraw/zinc/73/77/79/568737779.db2.gz	OJTVGHIOIAPTKF-JTHBVZDNSA-N	0	3	441.547	4.843	10	5		IJBEHN
CC(C)C(=O)N(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(C)C	ZINC000034740812	568824476	/nfs/dbraw/zinc/82/44/76/568824476.db2.gz	OJTVGHIOIAPTKF-FYYLOGMGSA-N	0	3	441.547	4.843	10	5		IJBEHN