smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1	ZINC000160084528	425974402	/nfs/dbraw/zinc/97/44/02/425974402.db2.gz	UYXLHIXKCFFCEF-UHFFFAOYSA-N	0	2	322.372	2.642	50	70		DFIALN
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000159922591	303975027	/nfs/dbraw/zinc/97/50/27/303975027.db2.gz	YISBFOJCTNKIOS-LBPRGKRZSA-N	0	2	320.345	2.522	50	70		DFIALN
O=C([C@H]1CC[C@@H](O)CC1)N1CCCC[C@H]1CCc1ccccn1	ZINC000217197584	201512448	/nfs/dbraw/zinc/51/24/48/201512448.db2.gz	XDHZVAVVJNSOES-SZMVWBNQSA-N	0	2	316.445	2.946	50	70		DFIALN
C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1	ZINC000217144271	201511553	/nfs/dbraw/zinc/51/15/53/201511553.db2.gz	JMXMDNPKFGCLSJ-LLVKDONJSA-N	0	2	304.777	2.731	50	70		DFIALN
Cc1ccccc1-c1cccc(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)c1	ZINC000217935014	426564857	/nfs/dbraw/zinc/56/48/57/426564857.db2.gz	MIRGHXUDQSYQKQ-LBPRGKRZSA-N	0	2	322.368	2.564	50	70		DFIALN
Cc1nnc([C@@H](C)NC(=O)c2ccc(N(C)C)c3ccccc23)[nH]1	ZINC000217175154	201511912	/nfs/dbraw/zinc/51/19/12/201511912.db2.gz	SCLLPWYFLLEUGV-LLVKDONJSA-N	0	2	323.400	2.823	50	70		DFIALN
Cc1nc([C@@H](C)NC(=O)c2ccc(N(C)C)c3ccccc23)n[nH]1	ZINC000217175154	201511916	/nfs/dbraw/zinc/51/19/16/201511916.db2.gz	SCLLPWYFLLEUGV-LLVKDONJSA-N	0	2	323.400	2.823	50	70		DFIALN
CC(C)(C)OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000161000136	426004587	/nfs/dbraw/zinc/00/45/87/426004587.db2.gz	YQAJJDXRXSVUMB-UHFFFAOYSA-N	0	2	322.361	2.720	50	70		DFIALN
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000159922479	425970454	/nfs/dbraw/zinc/97/04/54/425970454.db2.gz	YISBFOJCTNKIOS-GFCCVEGCSA-N	0	2	320.345	2.522	50	70		DFIALN
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(O)c(F)c1	ZINC000217597290	542877284	/nfs/dbraw/zinc/87/72/84/542877284.db2.gz	UMBUMRQLHPEYEO-UHFFFAOYSA-N	0	2	319.723	2.991	50	70		DFIALN
Cc1ccccc1-c1cccc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)c1	ZINC000217935089	426565920	/nfs/dbraw/zinc/56/59/20/426565920.db2.gz	MIRGHXUDQSYQKQ-GFCCVEGCSA-N	0	2	322.368	2.564	50	70		DFIALN
O=C(NCCc1nc(C2CC2)no1)c1csc2c1CCCC2	ZINC000217191255	201511733	/nfs/dbraw/zinc/51/17/33/201511733.db2.gz	FWWVROBBWOIXOF-UHFFFAOYSA-N	0	2	317.414	2.860	50	70		DFIALN