smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC([C@H](O)C(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	687727673	571892153	/nfs/dbraw/zinc/89/21/53/571892153.db2.gz	PGPOVJRHAZBGFN-UWTATZPHSA-N	-1	0	194.099	-1.299	10	5		AABERM
CC([C@@H](O)C(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	687727672	571892451	/nfs/dbraw/zinc/89/24/51/571892451.db2.gz	PGPOVJRHAZBGFN-REOHCLBHSA-N	-1	0	194.099	-1.299	10	5		AABERM
O=C([O-])CS(=O)(=O)CC[N+](=O)[O-]	687727240	571895232	/nfs/dbraw/zinc/89/52/32/571895232.db2.gz	FQABQZDJYLGEED-UHFFFAOYSA-N	-1	0	197.168	-1.238	10	5		AABERM
O=C([O-])CNC(=O)CC[N+](=O)[O-]	687727932	571901541	/nfs/dbraw/zinc/90/15/41/571901541.db2.gz	MPPNTXMXXRXCGY-UHFFFAOYSA-N	-1	0	176.128	-1.146	10	5		AABERM
O=[N+]([O-])c1c([N-]CCO)no[n+]1[O-]	687728010	571902403	/nfs/dbraw/zinc/90/24/03/571902403.db2.gz	UFWVDNYTTFYOBY-UHFFFAOYSA-N	-1	0	190.115	-1.380	10	5		AABERM
Cn1c(N)nc([O-])c([N+](=O)[O-])c1=O	687728760	571902133	/nfs/dbraw/zinc/90/21/33/571902133.db2.gz	KBQLZMNGANTONH-UHFFFAOYSA-N	-1	0	186.127	-1.024	10	5		AABERM
N=c1nc([N+](=O)[O-])[n-]n1CO	687728710	571902528	/nfs/dbraw/zinc/90/25/28/571902528.db2.gz	ALSKOBPLUBRDEE-UHFFFAOYSA-N	-1	0	159.105	-1.451	10	5		AABERM
O=C([O-])[C@@H](O)C(F)([N+](=O)[O-])[N+](=O)[O-]	687728657	571908388	/nfs/dbraw/zinc/90/83/88/571908388.db2.gz	GUZYTPAQCXZIPS-PVQJCKRUSA-N	-1	0	198.062	-1.391	10	5		AABERM
O=C([O-])[C@H](O)C(F)([N+](=O)[O-])[N+](=O)[O-]	687728658	571908804	/nfs/dbraw/zinc/90/88/04/571908804.db2.gz	GUZYTPAQCXZIPS-SFOWXEAESA-N	-1	0	198.062	-1.391	10	5		AABERM
O=C([O-])CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	308402067	573580949	/nfs/dbraw/zinc/58/09/49/573580949.db2.gz	JATSWSNWJUFLGX-IUYQGCFVSA-N	-1	0	188.139	-1.148	10	5		AABERM
O=C([O-])CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	308402068	573581564	/nfs/dbraw/zinc/58/15/64/573581564.db2.gz	JATSWSNWJUFLGX-QWWZWVQMSA-N	-1	0	188.139	-1.148	10	5		AABERM
O=C([O-])CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	308402064	573582911	/nfs/dbraw/zinc/58/29/11/573582911.db2.gz	JATSWSNWJUFLGX-DMTCNVIQSA-N	-1	0	188.139	-1.148	10	5		AABERM
O=C([O-])CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	308402065	573583002	/nfs/dbraw/zinc/58/30/02/573583002.db2.gz	JATSWSNWJUFLGX-IMJSIDKUSA-N	-1	0	188.139	-1.148	10	5		AABERM
NC(NC=O)=C(c1nnn[n-]1)[N+](=O)[O-]	687728447	1449676678	/nfs/dbraw/zinc/67/66/78/1449676678.db2.gz	ORMGPYBBSLTYTM-REOHCLBHSA-N	-1	0	199.130	-1.759	10	5		AABERM
COC(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687728250	1449876333	/nfs/dbraw/zinc/87/63/33/1449876333.db2.gz	XRKDLJCNKATZAL-NSCUHMNNSA-N	-1	0	186.131	-1.292	10	5		AABERM
NS(=O)(=O)c1[n-]cnc1[N+](=O)[O-]	8615693	169240848	/nfs/dbraw/zinc/24/08/48/169240848.db2.gz	XARPOFSVXQKPFU-UHFFFAOYSA-N	-1	0	192.156	-1.035	10	5		AABERM
Nc1c([N+](=O)[O-])c(=O)nc2[n-]cnn12	82386120	169282906	/nfs/dbraw/zinc/28/29/06/169282906.db2.gz	ULVGQYRBEFLAKB-UHFFFAOYSA-N	-1	0	196.126	-1.092	10	5		AABERM
Nc1c([N+](=O)[O-])cnc(=O)n1[O-]	6091146	169282921	/nfs/dbraw/zinc/28/29/21/169282921.db2.gz	QVLQTFWEBUBJLM-UHFFFAOYSA-N	-1	0	172.100	-1.029	10	5		AABERM
NC(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687808065	1423715599	/nfs/dbraw/zinc/71/55/99/1423715599.db2.gz	XSJAWKZAAVGAIO-PVQJCKRUSA-N	-1	0	171.120	-1.547	10	5		AABERM
CN(C)C(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687728199	1425151998	/nfs/dbraw/zinc/15/19/98/1425151998.db2.gz	MSBJZEWGVAKTHC-ONEGZZNKSA-N	-1	0	199.174	-1.377	10	5		AABERM
CN(C)C(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687728198	1426958152	/nfs/dbraw/zinc/95/81/52/1426958152.db2.gz	MSBJZEWGVAKTHC-ARJAWSKDSA-N	-1	0	199.174	-1.377	10	5		AABERM
NC(NC=O)=C(c1nnn[n-]1)[N+](=O)[O-]	687728448	1429193542	/nfs/dbraw/zinc/19/35/42/1429193542.db2.gz	ORMGPYBBSLTYTM-UWTATZPHSA-N	-1	0	199.130	-1.759	10	5		AABERM
COC(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687728249	1429264146	/nfs/dbraw/zinc/26/41/46/1429264146.db2.gz	XRKDLJCNKATZAL-IHWYPQMZSA-N	-1	0	186.131	-1.292	10	5		AABERM
NC(N)=C(c1nnn[n-]1)[N+](=O)[O-]	687808066	1429668796	/nfs/dbraw/zinc/66/87/96/1429668796.db2.gz	XSJAWKZAAVGAIO-SFOWXEAESA-N	-1	0	171.120	-1.547	10	5		AABERM