smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N/C(=N/O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NO)c12	ZINC000004847335	685156192	/nfs/dbraw/zinc/15/61/92/685156192.db2.gz	VDRNYDUPTSTUEE-JTFADIMSSA-N	0	1	340.296	-2.062	10	30		EAEEMN
C[N+](C)(C)[C@@H](Cc1cnc(SC[C@@H](O)[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-]	ZINC000005116006	685196773	/nfs/dbraw/zinc/19/67/73/685196773.db2.gz	PBGMXJHSCOZVQW-AEJSXWLSSA-O	0	1	347.417	-1.024	10	30		EAEEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](C(=O)[O-])[C@@]1(O)CC=CC1=O	ZINC000014852053	685106538	/nfs/dbraw/zinc/10/65/38/685106538.db2.gz	DUYFQYOHZRZEAZ-DXVIDONBSA-N	0	1	327.341	-2.803	10	30		EAEEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@@]1(O)CC=CC1=O	ZINC000031414352	685200152	/nfs/dbraw/zinc/20/01/52/685200152.db2.gz	DUYFQYOHZRZEAZ-WIMUKIRHSA-N	0	1	327.341	-2.803	10	30		EAEEMN
CN[C@H]1NS(=O)(=O)N[C@H]1N1CCc2nc(NC(=N)N)sc2C1	ZINC000033905809	685200300	/nfs/dbraw/zinc/20/03/00/685200300.db2.gz	KEKFFTFOPQBVHK-YUMQZZPRSA-N	0	1	346.442	-2.285	10	30		EAEEMN
CN[C@@H]1NS(=O)(=O)N[C@H]1N1CCc2nc(NC(=N)N)sc2C1	ZINC000033905811	685200274	/nfs/dbraw/zinc/20/02/74/685200274.db2.gz	KEKFFTFOPQBVHK-SFYZADRCSA-N	0	1	346.442	-2.285	10	30		EAEEMN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000039799620	685053997	/nfs/dbraw/zinc/05/39/97/685053997.db2.gz	HGKHPCFTRQDHCU-RKDXNWHRSA-N	0	1	328.373	-2.441	10	30		EAEEMN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000039799623	685053638	/nfs/dbraw/zinc/05/36/38/685053638.db2.gz	HGKHPCFTRQDHCU-BDAKNGLRSA-N	0	1	328.373	-2.441	10	30		EAEEMN
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000039817331	685101632	/nfs/dbraw/zinc/10/16/32/685101632.db2.gz	SXJHOPPTOJACOA-QXEWZRGKSA-N	0	1	344.416	-1.901	10	30		EAEEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000039831124	685164051	/nfs/dbraw/zinc/16/40/51/685164051.db2.gz	HGKHPCFTRQDHCU-DTWKUNHWSA-N	0	1	328.373	-2.441	10	30		EAEEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000060128083	685068624	/nfs/dbraw/zinc/06/86/24/685068624.db2.gz	HGKHPCFTRQDHCU-IUCAKERBSA-N	0	1	328.373	-2.441	10	30		EAEEMN
C[N+](C)(C)[C@@H](Cc1cnc([S@@](=O)C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-]	ZINC000085729603	717136942	/nfs/dbraw/zinc/13/69/42/717136942.db2.gz	CSTNDZVKJNPMIG-YWHIBEFZSA-O	0	1	333.390	-1.369	10	30	in-vitro	EAEEMN
C[N+](C)(C)[C@@H](Cc1cnc([S@](=O)C[C@H]([NH3+])C(=O)[O-])[nH]1)C(=O)[O-]	ZINC000085729609	717136948	/nfs/dbraw/zinc/13/69/48/717136948.db2.gz	CSTNDZVKJNPMIG-QTYUKPITSA-O	0	1	333.390	-1.369	10	30	in-vitro	EAEEMN
NC(=NO)c1c[nH]nc1NS(=O)(=O)C1CCS(=O)(=O)CC1	ZINC000093356313	685061005	/nfs/dbraw/zinc/06/10/05/685061005.db2.gz	HKNWNCJNWVWFDA-UHFFFAOYSA-N	0	1	337.383	-1.177	10	30		EAEEMN
CC1=C(N)C(=O)C2=C(C1=O)N(C)C[C@@H]1[C@H](C(=O)C2COC(N)=O)N1C	ZINC000101254488	685125112	/nfs/dbraw/zinc/12/51/12/685125112.db2.gz	CGTFNTYPCDXBKS-INFMQKRDSA-N	0	1	348.359	-1.466	10	30		EAEEMN
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000136072966	685068572	/nfs/dbraw/zinc/06/85/72/685068572.db2.gz	ZATRYQNPUHGXCU-IUCAKERBSA-N	0	1	328.373	-2.441	10	30		EAEEMN
C[NH+]=C([O-])C([N+]#N)=C([O-])N[n+]1cc(C(=S)N2CCOCC2)[n-]n1	ZINC000575083905	375102777	/nfs/dbraw/zinc/10/27/77/375102777.db2.gz	RGBHDRNKDKIFEV-UHFFFAOYSA-P	0	1	340.369	-1.425	10	30		EAEEMN
C#CCn1ncc(NC2(C(N)=O)CNC2)c(Br)c1=O	ZINC000722137252	686443104	/nfs/dbraw/zinc/44/31/04/686443104.db2.gz	CSNOWMCIAJCASW-UHFFFAOYSA-N	0	1	326.154	-1.122	10	30		EAEEMN