smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	5707200	168063807	/nfs/dbraw/zinc/06/38/07/168063807.db2.gz	IJFNNWYKLVJVLY-UHFFFAOYSA-N	0	2	186.127	-0.987	40	5		ABBBLN
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5511846	168209447	/nfs/dbraw/zinc/20/94/47/168209447.db2.gz	YFSHXZUPNJKBDS-CRCLSJGQSA-N	0	2	195.196	-0.925	40	5		ABBBLN
CO[C@@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5511849	168210814	/nfs/dbraw/zinc/21/08/14/168210814.db2.gz	YFSHXZUPNJKBDS-RFZPGFLSSA-N	0	2	195.196	-0.925	40	5		ABBBLN
CO[C@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5511884	168218412	/nfs/dbraw/zinc/21/84/12/168218412.db2.gz	YFSHXZUPNJKBDS-WHFBIAKZSA-N	0	2	195.196	-0.925	40	5		ABBBLN
CO[C@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5511886	168219320	/nfs/dbraw/zinc/21/93/20/168219320.db2.gz	YFSHXZUPNJKBDS-UHNVWZDZSA-N	0	2	195.196	-0.925	40	5		ABBBLN
COc1ncnc(NN)c1[N+](=O)[O-]	16194436	168288620	/nfs/dbraw/zinc/28/86/20/168288620.db2.gz	GUGYFWSUFJHVLF-UHFFFAOYSA-N	0	2	185.143	-0.321	40	5		ABBBLN
O=[N+]([O-])CC1(C[N+](=O)[O-])COC1	138469541	204020966	/nfs/dbraw/zinc/02/09/66/204020966.db2.gz	LTTOTAXINVWIBK-UHFFFAOYSA-N	0	2	176.128	-0.444	40	5		ABBBLN