smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000058055209	369552993	/nfs/dbraw/zinc/55/29/93/369552993.db2.gz	ORKCWYGFHJUIFC-GFCCVEGCSA-N	0	3	256.305	3.446	40	5		CGBBHN
O=C(CCN1CCCCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000001873054	344856259	/nfs/dbraw/zinc/85/62/59/344856259.db2.gz	SWIKOYQIUWXARK-UHFFFAOYSA-N	0	3	290.363	3.434	40	5		CGBBHN
O=[N+]([O-])c1cccc(CNCCc2ccccc2F)c1	ZINC000020047647	368796184	/nfs/dbraw/zinc/79/61/84/368796184.db2.gz	BGFURISTYLYTJL-UHFFFAOYSA-N	0	3	274.295	3.066	40	5		CGBBHN
O=C(CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000001744648	368436783	/nfs/dbraw/zinc/43/67/83/368436783.db2.gz	QNMJTXJJZVGMLU-UHFFFAOYSA-N	0	3	276.336	3.044	40	5		CGBBHN
O=[N+]([O-])c1ccc(NCCNC/C=C/c2ccccc2)cc1	ZINC000008435914	230370486	/nfs/dbraw/zinc/37/04/86/230370486.db2.gz	VPKQOPXUUGRHQQ-QPJJXVBHSA-N	0	3	297.358	3.310	40	5		CGBBHN
CN(C)[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000004975122	368559549	/nfs/dbraw/zinc/55/95/49/368559549.db2.gz	TURYQPXPVGECME-OAHLLOKOSA-N	0	3	254.289	3.226	40	5		CGBBHN
CN(C)[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000001662427	368427465	/nfs/dbraw/zinc/42/74/65/368427465.db2.gz	TURYQPXPVGECME-HNNXBMFYSA-N	0	3	254.289	3.226	40	5		CGBBHN
C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000058055207	369554066	/nfs/dbraw/zinc/55/40/66/369554066.db2.gz	ORKCWYGFHJUIFC-LBPRGKRZSA-N	0	3	256.305	3.446	40	5		CGBBHN
Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000007538089	368572474	/nfs/dbraw/zinc/57/24/74/368572474.db2.gz	AQPPLYLPDOHBJU-UHFFFAOYSA-N	0	3	256.305	3.193	40	5		CGBBHN
O=[N+]([O-])c1ccc(CNCCc2ccccc2F)cc1	ZINC000020047645	368795972	/nfs/dbraw/zinc/79/59/72/368795972.db2.gz	GVHAUCUKVOFWBN-UHFFFAOYSA-N	0	3	274.295	3.066	40	5		CGBBHN