smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc([N+](=O)[O-])nc-2c([O-])[nH]c1=O	ZINC000002273129	342718038	/nfs/dbraw/zinc/71/80/38/342718038.db2.gz	CUKVQGUXYGJJJX-UHFFFAOYSA-N	-1	1	211.137	-1.142	50	5		BABAMM
Cn1c(=O)[n-]c(NN)c([N+](=O)[O-])c1=O	ZINC000004085843	372130906	/nfs/dbraw/zinc/13/09/06/372130906.db2.gz	BCJGIQAKIWGFKN-UHFFFAOYSA-N	-1	1	201.142	-1.733	50	5		BABAMM
Cn1c(=O)[n-]c(NCCCO)c([N+](=O)[O-])c1=O	ZINC000036406050	368376220	/nfs/dbraw/zinc/37/62/20/368376220.db2.gz	SNFFCFYGCZVKME-UHFFFAOYSA-N	-1	1	244.207	-1.224	50	5		BABAMM
Cn1c([O-])c([N+](=O)[O-])c(NCCCO)nc1=O	ZINC000036406050	368376218	/nfs/dbraw/zinc/37/62/18/368376218.db2.gz	SNFFCFYGCZVKME-UHFFFAOYSA-N	-1	1	244.207	-1.224	50	5		BABAMM
Cn1c(=O)[n-]c(NCCO)c([N+](=O)[O-])c1=O	ZINC000048546555	348685359	/nfs/dbraw/zinc/68/53/59/348685359.db2.gz	UZERYYSRYVDDKD-UHFFFAOYSA-N	-1	1	230.180	-1.614	50	5		BABAMM
Cn1c([O-])c([N+](=O)[O-])c(NCCO)nc1=O	ZINC000048546555	348685352	/nfs/dbraw/zinc/68/53/52/348685352.db2.gz	UZERYYSRYVDDKD-UHFFFAOYSA-N	-1	1	230.180	-1.614	50	5		BABAMM
Cn1c2[n-]c([N+](=O)[O-])nc2c(=O)n(C)c1=O	ZINC000100042632	384613332	/nfs/dbraw/zinc/61/33/32/384613332.db2.gz	ZWBASWPKNUWUSZ-UHFFFAOYSA-N	-1	1	225.164	-1.132	50	5	in-vitro	BABAMM
Cn1c2nc([N+](=O)[O-])nc-2c([O-])n(C)c1=O	ZINC000100042632	384613329	/nfs/dbraw/zinc/61/33/29/384613329.db2.gz	ZWBASWPKNUWUSZ-UHFFFAOYSA-N	-1	1	225.164	-1.132	50	5	in-vitro	BABAMM