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](c1cccc([N+](=O)[O-])c1)N1CCCCCC1	ZINC000066404702	370577523	/nfs/dbraw/zinc/57/75/23/370577523.db2.gz	XBFYAGYZTKLTAZ-LBPRGKRZSA-N	0	3	248.326	3.532	20	5		BHBDHN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCCC1	ZINC000066404704	370577539	/nfs/dbraw/zinc/57/75/39/370577539.db2.gz	XBFYAGYZTKLTAZ-GFCCVEGCSA-N	0	3	248.326	3.532	20	5		BHBDHN
CC[C@H](NCC=C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181561574	346755128	/nfs/dbraw/zinc/75/51/28/346755128.db2.gz	OFTCNXJQQJBKCX-AWEZNQCLSA-N	0	3	248.326	3.602	20	5		BHBDHN
CC[C@@H](NCC=C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181561595	346755120	/nfs/dbraw/zinc/75/51/20/346755120.db2.gz	OFTCNXJQQJBKCX-CQSZACIVSA-N	0	3	248.326	3.602	20	5		BHBDHN
CC(C)=CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000181840635	259365248	/nfs/dbraw/zinc/36/52/48/259365248.db2.gz	OLXNONXTQUHTFN-GFCCVEGCSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC(C)=CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000181840656	259365246	/nfs/dbraw/zinc/36/52/46/259365246.db2.gz	OLXNONXTQUHTFN-LBPRGKRZSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC(C)=CCN[C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000188457699	384958059	/nfs/dbraw/zinc/95/80/59/384958059.db2.gz	GDVXDKQLKMVOGY-GFCCVEGCSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC(C)=CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000188457721	384957422	/nfs/dbraw/zinc/95/74/22/384957422.db2.gz	GDVXDKQLKMVOGY-LBPRGKRZSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C/CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000385052156	356880086	/nfs/dbraw/zinc/88/00/86/356880086.db2.gz	STHJLGFYHINZCQ-BTDICHCPSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000385052158	356879893	/nfs/dbraw/zinc/87/98/93/356879893.db2.gz	STHJLGFYHINZCQ-FJOGCWAESA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000385052159	356880038	/nfs/dbraw/zinc/88/00/38/356880038.db2.gz	STHJLGFYHINZCQ-FOQNGQEVSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C/CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000385052160	356879961	/nfs/dbraw/zinc/87/99/61/356879961.db2.gz	STHJLGFYHINZCQ-FYJFLYSWSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000395130949	323188459	/nfs/dbraw/zinc/18/84/59/323188459.db2.gz	CWAAWWCZAWIDPI-GEXIGZQTSA-N	0	3	248.326	3.602	20	5		BHBDHN
CC/C=C/CN[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000395130952	323188443	/nfs/dbraw/zinc/18/84/43/323188443.db2.gz	CWAAWWCZAWIDPI-GJBLVYBDSA-N	0	3	248.326	3.602	20	5		BHBDHN
CC/C=C\CN[C@@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000395130953	323188454	/nfs/dbraw/zinc/18/84/54/323188454.db2.gz	CWAAWWCZAWIDPI-GXMNPTEKSA-N	0	3	248.326	3.602	20	5		BHBDHN
CC/C=C/CN[C@H](CC)c1cccc([N+](=O)[O-])c1	ZINC000395130956	323188474	/nfs/dbraw/zinc/18/84/74/323188474.db2.gz	CWAAWWCZAWIDPI-VBROQKIQSA-N	0	3	248.326	3.602	20	5		BHBDHN
C[C@H](c1ccccc1[N+](=O)[O-])N1CCCCCC1	ZINC000433943694	201197481	/nfs/dbraw/zinc/19/74/81/201197481.db2.gz	SBKPLTPCYFNALG-GFCCVEGCSA-N	0	3	248.326	3.532	20	5		BHBDHN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCCCC1	ZINC000433943695	201199503	/nfs/dbraw/zinc/19/95/03/201199503.db2.gz	SBKPLTPCYFNALG-LBPRGKRZSA-N	0	3	248.326	3.532	20	5		BHBDHN
CC/C=C/CN[C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000453303631	386737726	/nfs/dbraw/zinc/73/77/26/386737726.db2.gz	AKUDDOCKPDMIRT-BTDICHCPSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000453303632	386738418	/nfs/dbraw/zinc/73/84/18/386738418.db2.gz	AKUDDOCKPDMIRT-FJOGCWAESA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000453303635	386378990	/nfs/dbraw/zinc/37/89/90/386378990.db2.gz	AKUDDOCKPDMIRT-FOQNGQEVSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C/CN[C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000453303636	386379062	/nfs/dbraw/zinc/37/90/62/386379062.db2.gz	AKUDDOCKPDMIRT-FYJFLYSWSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C/CN[C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000560351125	322986216	/nfs/dbraw/zinc/98/62/16/322986216.db2.gz	YBKNNEHFDBDIBH-BTDICHCPSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000560351126	322986149	/nfs/dbraw/zinc/98/61/49/322986149.db2.gz	YBKNNEHFDBDIBH-FJOGCWAESA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C\CN[C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000560351127	322986204	/nfs/dbraw/zinc/98/62/04/322986204.db2.gz	YBKNNEHFDBDIBH-FOQNGQEVSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC/C=C/CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000560351128	398023803	/nfs/dbraw/zinc/02/38/03/398023803.db2.gz	YBKNNEHFDBDIBH-FYJFLYSWSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC(C)=CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000573300261	384670215	/nfs/dbraw/zinc/67/02/15/384670215.db2.gz	JWLQEUDSEVCARE-GFCCVEGCSA-N	0	3	248.326	3.520	20	5		BHBDHN
CC(C)=CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000573300262	384670502	/nfs/dbraw/zinc/67/05/02/384670502.db2.gz	JWLQEUDSEVCARE-LBPRGKRZSA-N	0	3	248.326	3.520	20	5		BHBDHN