smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1	ZINC000005390831	181237743	/nfs/dbraw/zinc/23/77/43/181237743.db2.gz	MWNLQFLEJCYDFU-UHFFFAOYSA-N	0	3	308.298	0.641	40	5		DCBBHN
O=[N+]([O-])c1ccc(CNCCN[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421050	417535609	/nfs/dbraw/zinc/53/56/09/417535609.db2.gz	MQKAFCMOWBRVLI-GFCCVEGCSA-N	0	3	313.379	0.461	40	5		DCBBHN
Cc1[nH]nc(NCC(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000006908649	415135229	/nfs/dbraw/zinc/13/52/29/415135229.db2.gz	ASUMNUDZEDVTDU-JTQLQIEISA-N	0	3	308.342	0.345	40	5		DCBBHN
O=[N+]([O-])c1ccc(CNCCN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421051	417535850	/nfs/dbraw/zinc/53/58/50/417535850.db2.gz	MQKAFCMOWBRVLI-LBPRGKRZSA-N	0	3	313.379	0.461	40	5		DCBBHN
COC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000026508899	284536199	/nfs/dbraw/zinc/53/61/99/284536199.db2.gz	HQCLFOLCDUGNPF-UHFFFAOYSA-N	0	3	310.266	0.699	40	5		DCBBHN
CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013613701	395688699	/nfs/dbraw/zinc/68/86/99/395688699.db2.gz	GAPYNXKMJJMWJE-UHFFFAOYSA-N	0	3	306.366	0.962	40	5		DCBBHN
CCN(CC)CCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000019681160	182136030	/nfs/dbraw/zinc/13/60/30/182136030.db2.gz	WIEMTUKQLVXJJL-UHFFFAOYSA-N	0	3	322.365	0.864	40	5		DCBBHN
CC(C)(CO)NCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1	ZINC000005632645	181266256	/nfs/dbraw/zinc/26/62/56/181266256.db2.gz	CXKQUAVGBNLOTR-UHFFFAOYSA-N	0	3	324.381	0.874	40	5		DCBBHN
Cc1[nH]nc(NCC(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000006908648	415133924	/nfs/dbraw/zinc/13/39/24/415133924.db2.gz	ASUMNUDZEDVTDU-SNVBAGLBSA-N	0	3	308.342	0.345	40	5		DCBBHN
CN1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000022913946	182341319	/nfs/dbraw/zinc/34/13/19/182341319.db2.gz	UYVKZMIMIICJME-UHFFFAOYSA-N	0	3	320.393	0.891	40	5		DCBBHN
CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000013648332	415150159	/nfs/dbraw/zinc/15/01/59/415150159.db2.gz	SIWNCFNJMQMPJD-UHFFFAOYSA-N	0	3	306.366	0.962	40	5		DCBBHN