smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc13	ZINC000005732905	181278288	/nfs/dbraw/zinc/27/82/88/181278288.db2.gz	VCUAYSCBVGFEMN-UHFFFAOYSA-N	0	3	307.357	1.807	1	5		DDBFHN
O=C(CN1CCNCC1)Nc1nc2cc([N+](=O)[O-])ccc2s1	ZINC000073155955	191285700	/nfs/dbraw/zinc/28/57/00/191285700.db2.gz	BOOUZPPSRNFCNR-UHFFFAOYSA-N	0	3	321.362	1.048	1	5		DDBFHN
COC[C@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000028713290	536592571	/nfs/dbraw/zinc/59/25/71/536592571.db2.gz	BJHIWGNEPRZKSQ-CYBMUJFWSA-N	0	3	302.334	1.568	1	5	in-vitro	DDBFHN
COc1nn(CCOCCN(C)C)c2ccc([N+](=O)[O-])cc12	ZINC000040939831	183150130	/nfs/dbraw/zinc/15/01/30/183150130.db2.gz	VACYULGTAAVLDV-UHFFFAOYSA-N	0	3	308.338	1.531	1	5		DDBFHN