smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccccc1C	ZINC000009295533	555071711	/nfs/dbraw/zinc/07/17/11/555071711.db2.gz	IKNGWXQXENMMCE-CSKARUKUSA-N	-2	0	452.423	2.889	50	5		JFBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000016034138	556118377	/nfs/dbraw/zinc/11/83/77/556118377.db2.gz	QLVMKFOOVXMGRQ-IFMALSPDSA-N	-2	0	454.442	2.813	50	5		JFBARL
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000009511918	555301037	/nfs/dbraw/zinc/30/10/37/555301037.db2.gz	DRKCZAXCXOWLRO-UHFFFAOYSA-N	-2	0	477.476	2.895	50	5		JFBARL
CCc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)s1	ZINC000002060545	554016778	/nfs/dbraw/zinc/01/67/78/554016778.db2.gz	WPKLLAJYXHLWJB-UHFFFAOYSA-N	-2	0	469.526	2.610	50	5		JFBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000100674935	569766572	/nfs/dbraw/zinc/76/65/72/569766572.db2.gz	QLVMKFOOVXMGRQ-IRLDBZIGSA-N	-2	0	454.442	2.813	50	5		JFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C	ZINC000009295539	555071916	/nfs/dbraw/zinc/07/19/16/555071916.db2.gz	KNCOZVPXWWUPPA-AWGPODSSSA-N	-2	0	458.471	2.636	50	5		JFBARL
O=C([O-])c1ccc(N[C@@H](CS(=O)(=O)Cc2cccc(Br)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020664849	195198153	/nfs/dbraw/zinc/19/81/53/195198153.db2.gz	AOJMABVJGUZTOA-AWEZNQCLSA-N	-2	0	487.284	2.536	50	5		JFBARL
O=C([O-])c1ccc(N[C@@H](CS(=O)(=O)Cc2c(F)cccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805543	195228741	/nfs/dbraw/zinc/22/87/41/195228741.db2.gz	PVEZBUDNAMQEPA-AWEZNQCLSA-N	-2	0	460.823	2.566	50	5		JFBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000018140039	556292925	/nfs/dbraw/zinc/29/29/25/556292925.db2.gz	QLVMKFOOVXMGRQ-UNMCSNQZSA-N	-2	0	454.442	2.813	50	5		JFBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000101363212	569794411	/nfs/dbraw/zinc/79/44/11/569794411.db2.gz	QLVMKFOOVXMGRQ-RBBKRZOGSA-N	-2	0	454.442	2.813	50	5		JFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000016361264	521984506	/nfs/dbraw/zinc/98/45/06/521984506.db2.gz	IIHHKFFRGCRQLB-CLFYSBASSA-N	-2	0	452.423	2.889	50	5		JFBARL
O=C([O-])c1ccc(N[C@H](CS(=O)(=O)Cc2c(F)cccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805539	195228343	/nfs/dbraw/zinc/22/83/43/195228343.db2.gz	PVEZBUDNAMQEPA-CQSZACIVSA-N	-2	0	460.823	2.566	50	5		JFBARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nc(C)n1	ZINC000002737124	554319736	/nfs/dbraw/zinc/31/97/36/554319736.db2.gz	RNBWKROKAFLMCP-UHFFFAOYSA-N	-2	0	463.497	2.603	50	5		JFBARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c([N+](=O)[O-])c1	ZINC000002863055	562925951	/nfs/dbraw/zinc/92/59/51/562925951.db2.gz	JSTYRNLZQMDVCH-UHFFFAOYSA-N	-2	0	454.511	2.961	50	5		JFBARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000002131837	554060590	/nfs/dbraw/zinc/06/05/90/554060590.db2.gz	MRIVGUSJRHPVJE-UHFFFAOYSA-N	-2	0	463.497	2.603	50	5		JFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000009295541	555071931	/nfs/dbraw/zinc/07/19/31/555071931.db2.gz	KNCOZVPXWWUPPA-XMTZHVTGSA-N	-2	0	458.471	2.636	50	5		JFBARL
O=C([O-])c1ccc(N[C@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805547	195228700	/nfs/dbraw/zinc/22/87/00/195228700.db2.gz	XQJPJMMJAAZPQV-CQSZACIVSA-N	-2	0	460.823	2.566	50	5		JFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000009295540	555071946	/nfs/dbraw/zinc/07/19/46/555071946.db2.gz	KNCOZVPXWWUPPA-HRNUACCPSA-N	-2	0	458.471	2.636	50	5		JFBARL
O=C([O-])c1ccc(N[C@H](CS(=O)(=O)Cc2cccc(Br)c2)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020664846	195197811	/nfs/dbraw/zinc/19/78/11/195197811.db2.gz	AOJMABVJGUZTOA-CQSZACIVSA-N	-2	0	487.284	2.536	50	5		JFBARL
O=C([O-])c1ccc(N[C@@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805551	195228671	/nfs/dbraw/zinc/22/86/71/195228671.db2.gz	XQJPJMMJAAZPQV-AWEZNQCLSA-N	-2	0	460.823	2.566	50	5		JFBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C	ZINC000009295538	555071827	/nfs/dbraw/zinc/07/18/27/555071827.db2.gz	KNCOZVPXWWUPPA-PNTFSDHLSA-N	-2	0	458.471	2.636	50	5		JFBARL