smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C1/C/C(=N\O)c2ccccc21	104375423	169313504	/nfs/dbraw/zinc/31/35/04/169313504.db2.gz	VPQPJUDANCCIRW-PNQPDEHRSA-N	-2	0	176.175	1.447	40	30		ADEBRL
[O-]c1c(Cl)cc(F)cc1/C=N/O	100473061	169313956	/nfs/dbraw/zinc/31/39/56/169313956.db2.gz	IHSVAIULSXAZKD-XCVCLJGOSA-N	-2	0	189.573	1.993	40	30		ADEBRL
O=C([O-])CCC(=NO)c1ccccc1	263605786	171188417	/nfs/dbraw/zinc/18/84/17/171188417.db2.gz	QEBFDSLTQPOGBG-UHFFFAOYSA-N	-2	0	193.202	1.730	40	30		ADEBRL
C=CCC(/C=C\CC)(C(=O)[O-])C(=O)[O-]	5082760	171204890	/nfs/dbraw/zinc/20/48/90/171204890.db2.gz	CPVNSIXHGLVYQN-ALCCZGGFSA-N	-2	0	198.218	1.684	40	30		ADEBRL
C=CCC(/C=C/CC)(C(=O)[O-])C(=O)[O-]	5459405	171205152	/nfs/dbraw/zinc/20/51/52/171205152.db2.gz	CPVNSIXHGLVYQN-FNORWQNLSA-N	-2	0	198.218	1.684	40	30		ADEBRL
O=[N+]([O-])c1cccc(C=N[O-])c1[O-]	254295244	351847115	/nfs/dbraw/zinc/84/71/15/351847115.db2.gz	MTLXRYAXTYRUHQ-UHFFFAOYSA-N	-2	0	182.135	1.109	40	30		ADEBRL