smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=CC[C@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@@]1([N+](=O)[O-])C2	ZINC000004367929	292150863	/nfs/dbraw/zinc/15/08/63/292150863.db2.gz	DUXWLOKOPWPSLE-MNOVXSKESA-N	0	1	301.255	-0.258	50	5		DBBAMN
COC1=CC[C@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@@]1([N+](=O)[O-])C2	ZINC000004367929	292150865	/nfs/dbraw/zinc/15/08/65/292150865.db2.gz	DUXWLOKOPWPSLE-MNOVXSKESA-N	0	1	301.255	-0.258	50	5		DBBAMN
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1	ZINC000725374211	664888850	/nfs/dbraw/zinc/88/88/50/664888850.db2.gz	KBIVODCBBZTGDW-MRVPVSSYSA-N	0	1	315.307	-0.358	50	5		DBBAMN
O=C([O-])[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000088664209	803799818	/nfs/dbraw/zinc/79/98/18/803799818.db2.gz	DDCZOIRHTJEQPT-VIFPVBQESA-N	0	1	315.307	-0.358	50	5		DBBAMN
COC1=CC[C@@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@]1([N+](=O)[O-])C2	ZINC000002186363	292150833	/nfs/dbraw/zinc/15/08/33/292150833.db2.gz	DUXWLOKOPWPSLE-WDEREUQCSA-N	0	1	301.255	-0.258	50	5		DBBAMN
COC1=CC[C@@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@]1([N+](=O)[O-])C2	ZINC000002186363	292150834	/nfs/dbraw/zinc/15/08/34/292150834.db2.gz	DUXWLOKOPWPSLE-WDEREUQCSA-N	0	1	301.255	-0.258	50	5		DBBAMN
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000002513747	382616593	/nfs/dbraw/zinc/61/65/93/382616593.db2.gz	GLNRBIKEUMLHLH-JTQLQIEISA-N	0	1	315.307	-0.358	50	5		DBBAMN
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1	ZINC000725374214	664888801	/nfs/dbraw/zinc/88/88/01/664888801.db2.gz	KBIVODCBBZTGDW-QMMMGPOBSA-N	0	1	315.307	-0.358	50	5		DBBAMN
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000021983351	182301753	/nfs/dbraw/zinc/30/17/53/182301753.db2.gz	GLNRBIKEUMLHLH-SNVBAGLBSA-N	0	1	315.307	-0.358	50	5		DBBAMN
O=C([O-])[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000088663810	803799068	/nfs/dbraw/zinc/79/90/68/803799068.db2.gz	RYNFTEIRDQFEQR-JTQLQIEISA-N	0	1	315.307	-0.358	50	5		DBBAMN
Cc1nc([N+](=O)[O-])c(N2CCN(C(=O)CN(C)C)CC2)n1C	ZINC000069325023	382679308	/nfs/dbraw/zinc/67/93/08/382679308.db2.gz	ONAJHTGNEHMGQZ-UHFFFAOYSA-N	0	1	310.358	-0.153	50	5		DBBAMN
O=C([O-])[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000088663808	803799202	/nfs/dbraw/zinc/79/92/02/803799202.db2.gz	RYNFTEIRDQFEQR-SNVBAGLBSA-N	0	1	315.307	-0.358	50	5		DBBAMN
O=C([O-])[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000088664207	803799760	/nfs/dbraw/zinc/79/97/60/803799760.db2.gz	DDCZOIRHTJEQPT-SECBINFHSA-N	0	1	315.307	-0.358	50	5		DBBAMN