smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009234962	401760694	/nfs/dbraw/zinc/76/06/94/401760694.db2.gz	FYYASFDXWNDWPP-VMPITWQZSA-N	-2	0	315.285	2.119	40	30		DEEBRL
[O-]/N=C/c1nnc2sc(-c3ccc(/C=N/[O-])c(Cl)c3)nn12	ZINC000041127189	401927891	/nfs/dbraw/zinc/92/78/91/401927891.db2.gz	JBQHNXBETNAMNJ-PCSLFHOQSA-N	-2	0	322.737	2.122	40	30		DEEBRL
Cc1ccc(-c2csc(NC(=O)NP(=O)([O-])[O-])n2)cc1	ZINC000035240416	401897831	/nfs/dbraw/zinc/89/78/31/401897831.db2.gz	PVYPGMXPLHLKLV-UHFFFAOYSA-N	-2	0	313.275	2.346	40	30		DEEBRL
O=C([O-])CCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1CCC(=O)[O-]	ZINC000071789389	402277582	/nfs/dbraw/zinc/27/75/82/402277582.db2.gz	KPFBKANRLYZJQP-DGCLKSJQSA-N	-2	0	310.346	2.217	40	30	in-vitro	DEEBRL
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])c1ccccc1[O-]	ZINC000006382965	181335849	/nfs/dbraw/zinc/33/58/49/181335849.db2.gz	JCVVCLLMMPPFTM-BQYQJAHWSA-N	-2	0	308.293	2.230	40	30		DEEBRL
Cc1cc(C=NO)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408857182	301266312	/nfs/dbraw/zinc/26/63/12/301266312.db2.gz	SKKXFJDRHFPXMN-UHFFFAOYSA-N	-2	0	302.286	2.299	40	30		DEEBRL
O=C([O-])c1cc(/N=C\c2cccc([N+](=O)[O-])c2[O-])ccc1O	ZINC000409064119	534541739	/nfs/dbraw/zinc/54/17/39/534541739.db2.gz	GJFDALCIARQTBF-CHHVJCJISA-N	-2	0	302.242	2.455	40	30		DEEBRL
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N=NCc1ccccc1	ZINC000059229337	402104165	/nfs/dbraw/zinc/10/41/65/402104165.db2.gz	ZYSWJCSNTWMKKW-OQLLNIDSSA-N	-2	0	320.326	2.078	40	30		DEEBRL
CCc1n[n-]c(=S)n1N=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000020164010	333308635	/nfs/dbraw/zinc/30/86/35/333308635.db2.gz	JZCIZXREOZVTQN-AWNIVKPZSA-N	-2	0	323.334	2.008	40	30		DEEBRL
CCC(=NNc1cccc(NN=C(CC)C(=O)[O-])c1)C(=O)[O-]	ZINC000004265995	181090111	/nfs/dbraw/zinc/09/01/11/181090111.db2.gz	AJKNHGCVTGKWRP-JYFOCSDGSA-N	-2	0	306.322	2.212	40	30		DEEBRL
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])ccc1O	ZINC000103619750	402193000	/nfs/dbraw/zinc/19/30/00/402193000.db2.gz	KXJYBXUIIIFORF-CHHVJCJISA-N	-2	0	302.242	2.455	40	30		DEEBRL
O=C([O-])CCC(=NNc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000256028070	304043261	/nfs/dbraw/zinc/04/32/61/304043261.db2.gz	RNPAHHLZWNHODI-RQZCQDPDSA-N	-2	0	304.224	2.423	40	30		DEEBRL
O=S(=O)(c1ccccc1/C=N/[O-])c1ccccc1/C=N\[O-]	ZINC000004718842	181141531	/nfs/dbraw/zinc/14/15/31/181141531.db2.gz	DKTMIJHVQKUHIF-CKOAPEAFSA-N	-2	0	304.327	2.136	40	30		DEEBRL
O=C([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1O	ZINC000000027846	401687408	/nfs/dbraw/zinc/68/74/08/401687408.db2.gz	AZNNBSQVEIRBQR-VIZOYTHASA-N	-2	0	302.242	2.455	40	30		DEEBRL
C=CCOc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1	ZINC000009010300	401758594	/nfs/dbraw/zinc/75/85/94/401758594.db2.gz	KVEDDWFVRLPKGP-SREVYHEPSA-N	-2	0	315.285	2.119	40	30		DEEBRL
C/C(c1ccc(O)c(C(=O)[O-])c1)=C1/C=CC(=O)C(C(=O)[O-])=C1	ZINC000028092924	401850030	/nfs/dbraw/zinc/85/00/30/401850030.db2.gz	GZUNJUHSRLTITI-CSKARUKUSA-N	-2	0	300.266	2.014	40	30		DEEBRL
O=C([O-])CCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1CCC(=O)[O-]	ZINC000071789391	402277574	/nfs/dbraw/zinc/27/75/74/402277574.db2.gz	HYPIFMOQVFWSBF-WCQYABFASA-N	-2	0	310.346	2.217	40	30	in-vitro	DEEBRL
C/C(c1ccc(O)c(C(=O)[O-])c1)=C1\C=CC(=O)C(C(=O)[O-])=C1	ZINC000036748824	354165580	/nfs/dbraw/zinc/16/55/80/354165580.db2.gz	GZUNJUHSRLTITI-NTMALXAHSA-N	-2	0	300.266	2.014	40	30		DEEBRL
O=C([O-])c1cc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)ccc1O	ZINC000408961731	534540981	/nfs/dbraw/zinc/54/09/81/534540981.db2.gz	DQOSTIBPVZENJA-CHHVJCJISA-N	-2	0	302.242	2.455	40	30		DEEBRL