smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](CC(N)=O)C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199215	382608685	/nfs/dbraw/zinc/60/86/85/382608685.db2.gz	HYKRTRLAIFBQOD-LLVKDONJSA-N	1	2	323.353	-0.201	50	5		DBBALO
C[N@H+](CC(N)=O)C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199215	382608688	/nfs/dbraw/zinc/60/86/88/382608688.db2.gz	HYKRTRLAIFBQOD-LLVKDONJSA-N	1	2	323.353	-0.201	50	5		DBBALO
NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1	ZINC000036038186	380516107	/nfs/dbraw/zinc/51/61/07/380516107.db2.gz	CGDLZTOFJDYXNT-UHFFFAOYSA-N	1	2	306.282	-0.262	50	5		DBBALO
CN1CCN(c2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])CC1	ZINC000005248201	290059498	/nfs/dbraw/zinc/05/94/98/290059498.db2.gz	JBWKSDUANUQBDV-UHFFFAOYSA-N	1	2	321.385	-0.112	50	5		DBBALO
O=C(Cn1nc([N+](=O)[O-])nc1-n1cc[nH+]c1)N1CCOCC1	ZINC000012360640	376669412	/nfs/dbraw/zinc/66/94/12/376669412.db2.gz	ALIQPOWZLXMBFJ-UHFFFAOYSA-N	1	2	307.270	-0.769	50	5		DBBALO
CNC(=O)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000026483572	379654773	/nfs/dbraw/zinc/65/47/73/379654773.db2.gz	MFDSFNUSVHRKKI-UHFFFAOYSA-N	1	2	322.325	-0.433	50	5		DBBALO
C[N@@H+](CC(N)=O)C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199220	282379239	/nfs/dbraw/zinc/37/92/39/282379239.db2.gz	HYKRTRLAIFBQOD-NSHDSACASA-N	1	2	323.353	-0.201	50	5		DBBALO
C[N@H+](CC(N)=O)C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199220	282379241	/nfs/dbraw/zinc/37/92/41/282379241.db2.gz	HYKRTRLAIFBQOD-NSHDSACASA-N	1	2	323.353	-0.201	50	5		DBBALO
Cc1nn(CC(=O)NCC[NH+]2CCOCC2)c(C)c1[N+](=O)[O-]	ZINC000019288318	182112572	/nfs/dbraw/zinc/11/25/72/182112572.db2.gz	RGELYJOQVZPREK-UHFFFAOYSA-N	1	2	311.342	-0.143	50	5		DBBALO
Cn1c(=O)[nH]c(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1=O	ZINC000019800878	182151851	/nfs/dbraw/zinc/15/18/51/182151851.db2.gz	ZGDJNGDVZOEARZ-UHFFFAOYSA-N	1	2	313.314	-0.884	50	5		DBBALO
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCC[NH+]1CCOCC1	ZINC000020608535	301014908	/nfs/dbraw/zinc/01/49/08/301014908.db2.gz	ZMFKZDMTAXDEPO-UHFFFAOYSA-N	1	2	311.342	-0.062	50	5		DBBALO