smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(-c2nn(C)c(C)c2[N+]([O-])=NC#N)nn1C	ZINC000071333112	176125911	/nfs/dbraw/zinc/12/59/11/176125911.db2.gz	JXZQWFIRJZPYAK-AQTBWJFISA-N	0	3	259.273	1.513	1	10		CDCFHN
[NH3+][C@@H](CCCC[NH2+]Cc1ccccc1[O-])C(=O)[O-]	ZINC000006513866	170208662	/nfs/dbraw/zinc/20/86/62/170208662.db2.gz	UMXGVURALLTGGD-NSHDSACASA-N	0	3	252.314	1.064	1	10		CDCFHN
CN(C)/[N+]([O-])=N\Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000040567300	174338089	/nfs/dbraw/zinc/33/80/89/174338089.db2.gz	HVQOQPVXEVXEAN-UKTHLTGXSA-N	0	3	271.189	1.236	1	10		CDCFHN
CN(C)/[N+]([O-])=N\Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000040566884	174338029	/nfs/dbraw/zinc/33/80/29/174338029.db2.gz	MVJLIJLGZJUMSZ-GXDHUFHOSA-N	0	3	289.179	1.375	1	10		CDCFHN
C[NH2+]Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1[O-]	ZINC000045366456	175363073	/nfs/dbraw/zinc/36/30/73/175363073.db2.gz	ZQZSVSDOTRUFQP-UHFFFAOYSA-N	0	3	296.330	1.549	1	10		CDCFHN
CN(C)CCCc1c[nH]c2c1C(=O)c1ccncc1C2=O	ZINC000071341694	176130482	/nfs/dbraw/zinc/13/04/82/176130482.db2.gz	LNYZTFOGOFMYKF-UHFFFAOYSA-N	0	3	283.331	1.679	1	10		CDCFHN