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+](C)(C)CC[P@](=O)([O-])O	1530430	342946597	/nfs/dbraw/zinc/94/65/97/342946597.db2.gz	VCANKBLUHKRQLL-UHFFFAOYSA-O	0	1	168.153	-0.130	40	5	in-vitro	ABBBMN
CCCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	11919399	167118446	/nfs/dbraw/zinc/11/84/46/167118446.db2.gz	DJQYDKPJTQVLCV-UHFFFAOYSA-N	0	1	199.166	-0.145	40	5		ABBBMN
Cn1ccc(O)c([N+](=O)[O-])c1=O	257198070	169047182	/nfs/dbraw/zinc/04/71/82/169047182.db2.gz	RRJVFCWRAGAYAJ-UHFFFAOYSA-N	0	1	170.124	-0.001	40	5		ABBBMN
Cn1nc([N+](=O)[O-])nc1NN=O	95116210	169062899	/nfs/dbraw/zinc/06/28/99/169062899.db2.gz	ODHSHVLJRPLHCV-UHFFFAOYSA-N	0	1	172.104	-0.183	40	5		ABBBMN
NNc1ncc([N+](=O)[O-])cn1	40454245	169238905	/nfs/dbraw/zinc/23/89/05/169238905.db2.gz	RSEPTYJGRYYLIM-UHFFFAOYSA-N	0	1	155.117	-0.330	40	5		ABBBMN
NNc1ncncc1[N+](=O)[O-]	4086718	169240112	/nfs/dbraw/zinc/24/01/12/169240112.db2.gz	OHSZSXYJPNSOII-UHFFFAOYSA-N	0	1	155.117	-0.330	40	5		ABBBMN
NN=c1nc[nH]cc1[N+](=O)[O-]	4086718	169240114	/nfs/dbraw/zinc/24/01/14/169240114.db2.gz	OHSZSXYJPNSOII-UHFFFAOYSA-N	0	1	155.117	-0.330	40	5		ABBBMN
Nc1nc[nH]c1[N+](=O)[O-]	12957904	169308346	/nfs/dbraw/zinc/30/83/46/169308346.db2.gz	DPBQZIHMIPYKHX-UHFFFAOYSA-N	0	1	128.091	-0.100	40	5		ABBBMN
O=C1CC[C@@H]([N+](=O)[O-])C2(COC2)N1	253388062	169375830	/nfs/dbraw/zinc/37/58/30/169375830.db2.gz	AZLDAEUQHXTOSB-RXMQYKEDSA-N	0	1	186.167	-0.689	40	5	in-vitro	ABBBMN
O=C1CC[C@H]([N+](=O)[O-])C2(COC2)N1	253388063	169376748	/nfs/dbraw/zinc/37/67/48/169376748.db2.gz	AZLDAEUQHXTOSB-YFKPBYRVSA-N	0	1	186.167	-0.689	40	5	in-vitro	ABBBMN
CN(C)c1nc(N)c([N+](=O)[O-])c(=O)[nH]1	4085880	171011403	/nfs/dbraw/zinc/01/14/03/171011403.db2.gz	UYGWQDGZISEUJO-UHFFFAOYSA-N	0	1	199.170	-0.674	40	5		ABBBMN
C[N+](C)(C)C[P@@](=O)([O-])O	1720889	342962186	/nfs/dbraw/zinc/96/21/86/342962186.db2.gz	WYKNNRXUNHJPDJ-UHFFFAOYSA-O	0	1	154.126	-0.172	40	5		ABBBMN
C[N+](C)(C)C[P@](=O)([O-])O	1720889	342962189	/nfs/dbraw/zinc/96/21/89/342962189.db2.gz	WYKNNRXUNHJPDJ-UHFFFAOYSA-O	0	1	154.126	-0.172	40	5		ABBBMN
Cc1nc(N)c([N+](=O)[O-])c(=O)[nH]1	4085834	342987156	/nfs/dbraw/zinc/98/71/56/342987156.db2.gz	LAULKXZSWRUXNC-UHFFFAOYSA-N	0	1	170.128	-0.431	40	5		ABBBMN
Cc1nc(NN)c([N+](=O)[O-])c(NN)n1	6223661	343013342	/nfs/dbraw/zinc/01/33/42/343013342.db2.gz	ZFPAZOBBVXFTFU-UHFFFAOYSA-N	0	1	199.174	-0.736	40	5		ABBBMN
O=[N+]([O-])C1CCS(=O)(=O)C1	5290339	351341488	/nfs/dbraw/zinc/34/14/88/351341488.db2.gz	HLMNMEQKKAHRJY-BYPYZUCNSA-N	0	1	165.170	-0.550	40	5		ABBBMN
O=[N+]([O-])C1CCS(=O)(=O)C1	5290325	351341747	/nfs/dbraw/zinc/34/17/47/351341747.db2.gz	HLMNMEQKKAHRJY-SCSAIBSYSA-N	0	1	165.170	-0.550	40	5		ABBBMN