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]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000095420163	564139943	/nfs/dbraw/zinc/13/99/43/564139943.db2.gz	BEKCZYYTCYOSFU-HNNXBMFYSA-N	2	2	336.395	3.690	50	5		EHBALP
C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000054992153	214263969	/nfs/dbraw/zinc/26/39/69/214263969.db2.gz	DECJMTOOXJAAQQ-UHFFFAOYSA-N	2	2	339.439	3.691	50	5		EHBALP
C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000054992153	214263972	/nfs/dbraw/zinc/26/39/72/214263972.db2.gz	DECJMTOOXJAAQQ-UHFFFAOYSA-N	2	2	339.439	3.691	50	5		EHBALP
O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cc1	ZINC000071924522	563665641	/nfs/dbraw/zinc/66/56/41/563665641.db2.gz	VVHNFFJIZFVNTL-UHFFFAOYSA-N	2	2	341.411	3.571	50	5		EHBALP
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1	ZINC000071924523	563665803	/nfs/dbraw/zinc/66/58/03/563665803.db2.gz	FQENLUDVQPJASK-UHFFFAOYSA-N	2	2	341.411	3.571	50	5		EHBALP
C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000095420164	218360753	/nfs/dbraw/zinc/36/07/53/218360753.db2.gz	BEKCZYYTCYOSFU-OAHLLOKOSA-N	2	2	336.395	3.690	50	5		EHBALP
COc1ccc2[nH+]c3ccc(OC)cc3c(SCCC[NH3+])c2c1	ZINC000090609740	564120214	/nfs/dbraw/zinc/12/02/14/564120214.db2.gz	ZFOMCSNUEHMROO-UHFFFAOYSA-N	2	2	328.437	3.846	50	5		EHBALP
Cc1c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-]	ZINC000095420309	218360696	/nfs/dbraw/zinc/36/06/96/218360696.db2.gz	MSNWUDHJRIBJJJ-HNNXBMFYSA-N	2	2	340.427	3.618	50	5		EHBALP
c1ccc2c(c1)[nH]c1c2c(NCC[NH+]2CCOCC2)[nH+]c2ccccc12	ZINC000004658741	210239952	/nfs/dbraw/zinc/23/99/52/210239952.db2.gz	SETATRHSLPECHQ-UHFFFAOYSA-N	2	2	346.434	3.613	50	5		EHBALP
Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-]	ZINC000095420308	218360679	/nfs/dbraw/zinc/36/06/79/218360679.db2.gz	MSNWUDHJRIBJJJ-OAHLLOKOSA-N	2	2	340.427	3.618	50	5		EHBALP