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]1CCCC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2cc[nH+]c2C)n1	ZINC000028821460	202177861	/nfs/dbraw/zinc/17/78/61/202177861.db2.gz	VYSZBPLKBJHXJA-KBPBESRZSA-N	1	1	344.419	3.568	1	5		EHBFMO
O=[N+]([O-])c1nccn1CCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000073196743	203259821	/nfs/dbraw/zinc/25/98/21/203259821.db2.gz	SUCKFISVIZEBOX-UHFFFAOYSA-N	1	1	345.790	3.885	1	5		EHBFMO
C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc2cccnc21	ZINC000103275927	219281655	/nfs/dbraw/zinc/28/16/55/219281655.db2.gz	DAUCSSAUCMIBBR-UHFFFAOYSA-N	1	1	347.378	3.651	1	5		EHBFMO
C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc2cccnc21	ZINC000103275927	219281658	/nfs/dbraw/zinc/28/16/58/219281658.db2.gz	DAUCSSAUCMIBBR-UHFFFAOYSA-N	1	1	347.378	3.651	1	5		EHBFMO
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000035090978	213008452	/nfs/dbraw/zinc/00/84/52/213008452.db2.gz	ZDGAQBFRLOVSLH-DOTOQJQBSA-N	1	1	345.443	3.805	1	5		EHBFMO
Cn1c2nc3ccccc3c-2c(N2CCC[N@@H+](C)CC2)c2ccccc21	ZINC000102995238	219247054	/nfs/dbraw/zinc/24/70/54/219247054.db2.gz	NMIBYIDEAZDTFA-UHFFFAOYSA-N	1	1	344.462	3.973	1	5		EHBFMO
C[N@H+]1CC[C@@H](c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc32)C1	ZINC000003793349	210075095	/nfs/dbraw/zinc/07/50/95/210075095.db2.gz	GKTWNPQNDWIPDK-GFCCVEGCSA-N	1	1	337.383	3.634	1	5		EHBFMO
C[NH+]1CCN(C(=O)/C=C/c2c3ccccc3cc3ccccc32)CC1	ZINC000103228252	219272474	/nfs/dbraw/zinc/27/24/74/219272474.db2.gz	YSKZNRPFSIMYQB-ZHACJKMWSA-N	1	1	330.431	3.780	1	5		EHBFMO
COc1ccc2nc(NCCC[NH3+])c3c4ccccc4n(C)c3c2c1	ZINC000169309497	533352024	/nfs/dbraw/zinc/35/20/24/533352024.db2.gz	FKCBUZFMFUCPQO-UHFFFAOYSA-N	1	1	334.423	3.649	1	5		EHBFMO
Oc1ccc2c(c1)c1cc3c(cc1c1c2C[C@@H]2CCC[N@@H+]2C1)OCO3	ZINC000072125759	216016961	/nfs/dbraw/zinc/01/69/61/216016961.db2.gz	PSMOPYBBMRKITH-LBPRGKRZSA-N	1	1	333.387	3.948	1	5		EHBFMO