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=C1/C[N@+]2(C)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000253390590	717165860	/nfs/dbraw/zinc/16/58/60/717165860.db2.gz	ZEMNDQUOMWGCAZ-MZFNONIYSA-O	1	0	307.417	3.002	50	50	biogenic	DGGARO
C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N(C)C3=C(C=O)[C@H]1C[C@@H]42	ZINC000252461282	717165588	/nfs/dbraw/zinc/16/55/88/717165588.db2.gz	LUFYNCYNXSSUJL-OPFUSAPNSA-N	1	0	321.444	3.026	50	50	biogenic	DGGARO
C/C=C1/C[N@+]2(CC)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252679158	717165517	/nfs/dbraw/zinc/16/55/17/717165517.db2.gz	IPBVRFAPNWZMGD-SAJCEMADSA-O	1	0	321.444	3.392	50	50	biogenic	DGGARO
C[N+](C)(C)CC(=O)N/N=C/c1c2ccccc2cc2ccccc21	ZINC000004263154	717097735	/nfs/dbraw/zinc/09/77/35/717097735.db2.gz	MVHLJUGWXBEORK-FYJGNVAPSA-O	1	0	320.416	3.149	50	50		DGGARO
C/C=C1/C[N@+]2(CC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252441151	717165414	/nfs/dbraw/zinc/16/54/14/717165414.db2.gz	IPBVRFAPNWZMGD-MSTHSCMXSA-O	1	0	321.444	3.392	50	50	biogenic	DGGARO
C/C=C1/C[N@@+]2(CC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252441152	717165427	/nfs/dbraw/zinc/16/54/27/717165427.db2.gz	IPBVRFAPNWZMGD-QPDDULAPSA-O	1	0	321.444	3.392	50	50	biogenic	DGGARO
C/C=C1\C[N@+]2(CC)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252679156	717165551	/nfs/dbraw/zinc/16/55/51/717165551.db2.gz	IPBVRFAPNWZMGD-BCWYXBKISA-O	1	0	321.444	3.392	50	50		DGGARO
C/C=C1\C[N@@+]2(C)CC[C@]34c5ccccc5N(C)C3=C(C=O)[C@H]1C[C@@H]42	ZINC000252461281	717165629	/nfs/dbraw/zinc/16/56/29/717165629.db2.gz	LUFYNCYNXSSUJL-GVAUZBLMSA-N	1	0	321.444	3.026	50	50	biogenic	DGGARO
C/C=C1/C[N@@+]2(C)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000253390591	717165897	/nfs/dbraw/zinc/16/58/97/717165897.db2.gz	ZEMNDQUOMWGCAZ-OAJYSTOESA-O	1	0	307.417	3.002	50	50	biogenic	DGGARO