smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNC(=O)[C@H]1CC1[N+](=O)[O-]	308402067	573580956	/nfs/dbraw/zinc/58/09/56/573580956.db2.gz	JATSWSNWJUFLGX-IUYQGCFVSA-N	-1	1	188.139	-1.148	10	5		AABEMM
O=C([O-])CNC(=O)[C@@H]1CC1[N+](=O)[O-]	308402068	573581569	/nfs/dbraw/zinc/58/15/69/573581569.db2.gz	JATSWSNWJUFLGX-QWWZWVQMSA-N	-1	1	188.139	-1.148	10	5		AABEMM
O=C([O-])CNC(=O)[C@@H]1CC1[N+](=O)[O-]	308402064	573582917	/nfs/dbraw/zinc/58/29/17/573582917.db2.gz	JATSWSNWJUFLGX-DMTCNVIQSA-N	-1	1	188.139	-1.148	10	5		AABEMM
O=C([O-])CNC(=O)[C@H]1CC1[N+](=O)[O-]	308402065	573583004	/nfs/dbraw/zinc/58/30/04/573583004.db2.gz	JATSWSNWJUFLGX-IMJSIDKUSA-N	-1	1	188.139	-1.148	10	5		AABEMM
NC(NC=O)=C(c1nn[n-]n1)[N+](=O)[O-]	687728447	1449676684	/nfs/dbraw/zinc/67/66/84/1449676684.db2.gz	ORMGPYBBSLTYTM-REOHCLBHSA-N	-1	1	199.130	-1.759	10	5		AABEMM
COC(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687728250	1449876340	/nfs/dbraw/zinc/87/63/40/1449876340.db2.gz	XRKDLJCNKATZAL-NSCUHMNNSA-N	-1	1	186.131	-1.292	10	5		AABEMM
O=c1[nH]c(CO)nc([O-])c1[N+](=O)[O-]	36466747	343146330	/nfs/dbraw/zinc/14/63/30/343146330.db2.gz	IXNDXPJDTJOVML-UHFFFAOYSA-N	-1	1	187.111	-1.124	10	5		AABEMM
NNc1nc[n-]c(=O)c1[N+](=O)[O-]	12654280	169239019	/nfs/dbraw/zinc/23/90/19/169239019.db2.gz	JMHQXDHUSORWFI-UHFFFAOYSA-N	-1	1	171.116	-1.036	10	5		AABEMM
NS(=O)(=O)c1nc[n-]c1[N+](=O)[O-]	8615693	169240850	/nfs/dbraw/zinc/24/08/50/169240850.db2.gz	XARPOFSVXQKPFU-UHFFFAOYSA-N	-1	1	192.156	-1.035	10	5		AABEMM
NC(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687808065	1423715611	/nfs/dbraw/zinc/71/56/11/1423715611.db2.gz	XSJAWKZAAVGAIO-PVQJCKRUSA-N	-1	1	171.120	-1.547	10	5		AABEMM
CN(C)C(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687728199	1425152005	/nfs/dbraw/zinc/15/20/05/1425152005.db2.gz	MSBJZEWGVAKTHC-ONEGZZNKSA-N	-1	1	199.174	-1.377	10	5		AABEMM
CN(C)C(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687728198	1426958155	/nfs/dbraw/zinc/95/81/55/1426958155.db2.gz	MSBJZEWGVAKTHC-ARJAWSKDSA-N	-1	1	199.174	-1.377	10	5		AABEMM
NC(NC=O)=C(c1nn[n-]n1)[N+](=O)[O-]	687728448	1429193546	/nfs/dbraw/zinc/19/35/46/1429193546.db2.gz	ORMGPYBBSLTYTM-UWTATZPHSA-N	-1	1	199.130	-1.759	10	5		AABEMM
COC(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687728249	1429264150	/nfs/dbraw/zinc/26/41/50/1429264150.db2.gz	XRKDLJCNKATZAL-IHWYPQMZSA-N	-1	1	186.131	-1.292	10	5		AABEMM
NC(N)=C(c1nn[n-]n1)[N+](=O)[O-]	687808066	1429668802	/nfs/dbraw/zinc/66/88/02/1429668802.db2.gz	XSJAWKZAAVGAIO-SFOWXEAESA-N	-1	1	171.120	-1.547	10	5		AABEMM