smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2O)NC1=O	ZINC000008994901	436033801	/nfs/dbraw/zinc/03/38/01/436033801.db2.gz	OIZIVDSMFGFTIA-XEPABTDDSA-N	-1	2	338.301	0.697	50	30		ECEALM
C[C@@H](NC(=O)CC1S/C(=N\N=C\c2ccco2)NC1=O)C(=O)[O-]	ZINC000004926164	210326110	/nfs/dbraw/zinc/32/61/10/210326110.db2.gz	QCJKXMUQFJCAJK-GOTUDJMTSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@@H](NC(=O)C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)C(=O)[O-]	ZINC000004926164	210326102	/nfs/dbraw/zinc/32/61/02/210326102.db2.gz	QCJKXMUQFJCAJK-GOTUDJMTSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@H](NC(=O)C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000012080349	211287554	/nfs/dbraw/zinc/28/75/54/211287554.db2.gz	QCJKXMUQFJCAJK-AWKARLELSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@H](NC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000012080349	211287559	/nfs/dbraw/zinc/28/75/59/211287559.db2.gz	QCJKXMUQFJCAJK-AWKARLELSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@@H](NC(=O)C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000006931846	436006356	/nfs/dbraw/zinc/00/63/56/436006356.db2.gz	QCJKXMUQFJCAJK-DZXQEHLJSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@@H](NC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000006931846	436006369	/nfs/dbraw/zinc/00/63/69/436006369.db2.gz	QCJKXMUQFJCAJK-DZXQEHLJSA-N	-1	2	338.345	0.181	50	30		ECEALM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]c1=O	ZINC000015015668	302813668	/nfs/dbraw/zinc/81/36/68/302813668.db2.gz	RRVPSFRBWPECFX-UUILKARUSA-N	-1	2	335.236	0.854	50	30		ECEALM
O=C([O-])CCNC(=O)C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004304652	210164745	/nfs/dbraw/zinc/16/47/45/210164745.db2.gz	SZPFTSAGTWSPLR-HXBVQPGFSA-N	-1	2	338.345	0.182	50	30		ECEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004304652	210164748	/nfs/dbraw/zinc/16/47/48/210164748.db2.gz	SZPFTSAGTWSPLR-HXBVQPGFSA-N	-1	2	338.345	0.182	50	30		ECEALM
Cc1c(N/N=C2/C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000008767363	211002612	/nfs/dbraw/zinc/00/26/12/211002612.db2.gz	JPVFENGITRSCHV-UHFFFAOYSA-N	-1	2	342.315	0.459	50	30		ECEALM
Cc1c(N/N=C2\C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000008767363	211002614	/nfs/dbraw/zinc/00/26/14/211002614.db2.gz	JPVFENGITRSCHV-UHFFFAOYSA-N	-1	2	342.315	0.459	50	30		ECEALM
Cc1c(C#N)c(=O)n(C)c([O-])c1Cc1c(C)c(C#N)c(=O)n(C)c1O	ZINC000000359808	300910991	/nfs/dbraw/zinc/91/09/91/300910991.db2.gz	MKUOXJLYZWNRPX-UHFFFAOYSA-N	-1	2	340.339	0.446	50	30		ECEALM
N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)s1	ZINC000253425846	436846353	/nfs/dbraw/zinc/84/63/53/436846353.db2.gz	FAUFCMSDYKZDLX-UHFFFAOYSA-N	-1	2	348.369	0.690	50	30		ECEALM
O=C([O-])CCNC(=O)C[C@@H]1S/C(=N/c2ccc(O)cc2)NC1=O	ZINC000008418969	304054286	/nfs/dbraw/zinc/05/42/86/304054286.db2.gz	QJVWNENZVKBHQZ-JTQLQIEISA-N	-1	2	337.357	0.592	50	30		ECEALM
O=C([O-])CCc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000009636808	211110577	/nfs/dbraw/zinc/11/05/77/211110577.db2.gz	ODUIHRQDZAWHPI-VGOFMYFVSA-N	-1	2	332.276	0.536	50	30		ECEALM
O=C([O-])CCNC(=O)C[C@H]1S/C(=N/c2ccc(O)cc2)NC1=O	ZINC000008418977	304054802	/nfs/dbraw/zinc/05/48/02/304054802.db2.gz	QJVWNENZVKBHQZ-SNVBAGLBSA-N	-1	2	337.357	0.592	50	30		ECEALM
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2O)NC1=O	ZINC000002251343	435963542	/nfs/dbraw/zinc/96/35/42/435963542.db2.gz	OIZIVDSMFGFTIA-BWJGRMQRSA-N	-1	2	338.301	0.697	50	30		ECEALM
O=C([O-])CCNC(=O)C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004304654	210165121	/nfs/dbraw/zinc/16/51/21/210165121.db2.gz	SZPFTSAGTWSPLR-NEFPKRPYSA-N	-1	2	338.345	0.182	50	30		ECEALM
O=C([O-])CCNC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004304654	210165126	/nfs/dbraw/zinc/16/51/26/210165126.db2.gz	SZPFTSAGTWSPLR-NEFPKRPYSA-N	-1	2	338.345	0.182	50	30		ECEALM
C[C@H](NC(=O)C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000012080350	211288351	/nfs/dbraw/zinc/28/83/51/211288351.db2.gz	QCJKXMUQFJCAJK-WDINSDAUSA-N	-1	2	338.345	0.181	50	30		ECEALM
C[C@H](NC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O)C(=O)[O-]	ZINC000012080350	211288354	/nfs/dbraw/zinc/28/83/54/211288354.db2.gz	QCJKXMUQFJCAJK-WDINSDAUSA-N	-1	2	338.345	0.181	50	30		ECEALM
Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]c1=O	ZINC000253531459	436847056	/nfs/dbraw/zinc/84/70/56/436847056.db2.gz	RRVPSFRBWPECFX-UHFFFAOYSA-N	-1	2	335.236	0.854	50	30		ECEALM