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-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000015722014	555956578	/nfs/dbraw/zinc/95/65/78/555956578.db2.gz	FSSVAHQZIUZYJR-IBGZPJMESA-N	-1	0	497.464	1.231	40	5		JDBBRM
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408639112	569988101	/nfs/dbraw/zinc/98/81/01/569988101.db2.gz	VFEGXXSOWNJENM-HIFRSBDPSA-N	-1	0	455.423	1.911	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1cccc([N+](=O)[O-])c1	ZINC000408639739	569988531	/nfs/dbraw/zinc/98/85/31/569988531.db2.gz	YLMSNBOBQOEDEH-CYBMUJFWSA-N	-1	0	456.367	1.422	40	5		JDBBRM
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408655620	569997066	/nfs/dbraw/zinc/99/70/66/569997066.db2.gz	HVWKJMOHHRBNBC-CQSZACIVSA-N	-1	0	483.437	1.228	40	5		JDBBRM
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408656159	569997420	/nfs/dbraw/zinc/99/74/20/569997420.db2.gz	MQVNJABATAKUDT-CQSZACIVSA-N	-1	0	470.438	1.669	40	5		JDBBRM
CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408657885	569998531	/nfs/dbraw/zinc/99/85/31/569998531.db2.gz	PQRHQOZDLPTAAK-OAHLLOKOSA-N	-1	0	468.422	1.473	40	5		JDBBRM
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408660091	569999979	/nfs/dbraw/zinc/99/99/79/569999979.db2.gz	UOOXAGKRQASGFP-CQSZACIVSA-N	-1	0	484.421	1.057	40	5		JDBBRM
O=C(CN1C(=O)N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000408962712	570086505	/nfs/dbraw/zinc/08/65/05/570086505.db2.gz	JNJJRVGSWSXTIH-BOPFTXTBSA-N	-1	0	467.438	1.668	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc([N+](=O)[O-])cc1	ZINC000408637034	569987161	/nfs/dbraw/zinc/98/71/61/569987161.db2.gz	FOGNMUPURYUMCP-ZDUSSCGKSA-N	-1	0	456.367	1.422	40	5		JDBBRM
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408639114	569988122	/nfs/dbraw/zinc/98/81/22/569988122.db2.gz	VFEGXXSOWNJENM-UKRRQHHQSA-N	-1	0	455.423	1.911	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc([N+](=O)[O-])c1	ZINC000408655162	569996706	/nfs/dbraw/zinc/99/67/06/569996706.db2.gz	LCHVSNJIWOXXRK-LBPRGKRZSA-N	-1	0	471.382	1.178	40	5		JDBBRM
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408662823	570001969	/nfs/dbraw/zinc/00/19/69/570001969.db2.gz	PQNLXEXTWCDKHU-CYBMUJFWSA-N	-1	0	486.437	1.287	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000408671438	570007737	/nfs/dbraw/zinc/00/77/37/570007737.db2.gz	YCQWCUWUNAZQDH-CYBMUJFWSA-N	-1	0	485.409	1.487	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000408671440	570007742	/nfs/dbraw/zinc/00/77/42/570007742.db2.gz	YCQWCUWUNAZQDH-ZDUSSCGKSA-N	-1	0	485.409	1.487	40	5		JDBBRM
CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408672037	570008111	/nfs/dbraw/zinc/00/81/11/570008111.db2.gz	YSQXBZMTKZBIRC-OAHLLOKOSA-N	-1	0	454.439	1.832	40	5		JDBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C[C@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000253592589	570104086	/nfs/dbraw/zinc/10/40/86/570104086.db2.gz	XNAADNRLVTZLRZ-SLFFLAALSA-N	-1	0	475.461	1.992	40	5		JDBBRM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020455360	525042563	/nfs/dbraw/zinc/04/25/63/525042563.db2.gz	BPPYWYIGHZUSQB-UHFFFAOYSA-N	-1	0	471.513	1.566	40	5		JDBBRM
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)NCC(=O)[O-])cc1	ZINC000013124222	556340075	/nfs/dbraw/zinc/34/00/75/556340075.db2.gz	RTIHJMAKMJXPQL-NVNXTCNLSA-N	-1	0	459.411	1.592	40	5		JDBBRM
COC(=O)C(=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000008659606	562948665	/nfs/dbraw/zinc/94/86/65/562948665.db2.gz	SQHPFUOMSJZINT-AWEZNQCLSA-N	-1	0	455.339	1.616	40	5		JDBBRM
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138726414	569866262	/nfs/dbraw/zinc/86/62/62/569866262.db2.gz	MLKIWVORHGWWBR-GFCCVEGCSA-N	-1	0	490.856	1.932	40	5		JDBBRM
COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408639109	569988129	/nfs/dbraw/zinc/98/81/29/569988129.db2.gz	VFEGXXSOWNJENM-DZGCQCFKSA-N	-1	0	455.423	1.911	40	5		JDBBRM
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1C	ZINC000408651909	569994610	/nfs/dbraw/zinc/99/46/10/569994610.db2.gz	BQUKQYHAKPQNQJ-HNNXBMFYSA-N	-1	0	454.439	1.887	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1Cl	ZINC000408655192	569996679	/nfs/dbraw/zinc/99/66/79/569996679.db2.gz	LJNOLBZIRNINJV-LBPRGKRZSA-N	-1	0	460.830	1.923	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc([N+](=O)[O-])c1	ZINC000408655161	569996692	/nfs/dbraw/zinc/99/66/92/569996692.db2.gz	LCHVSNJIWOXXRK-GFCCVEGCSA-N	-1	0	471.382	1.178	40	5		JDBBRM
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408655618	569997047	/nfs/dbraw/zinc/99/70/47/569997047.db2.gz	HVWKJMOHHRBNBC-AWEZNQCLSA-N	-1	0	483.437	1.228	40	5		JDBBRM
C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408662126	570001523	/nfs/dbraw/zinc/00/15/23/570001523.db2.gz	XDWVUNUCSPCFRP-ZBFHGGJFSA-N	-1	0	454.439	1.509	40	5		JDBBRM
C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408662124	570001529	/nfs/dbraw/zinc/00/15/29/570001529.db2.gz	XDWVUNUCSPCFRP-HOCLYGCPSA-N	-1	0	454.439	1.509	40	5		JDBBRM
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408670343	570007000	/nfs/dbraw/zinc/00/70/00/570007000.db2.gz	XCQYYXADSGBBQJ-CYBMUJFWSA-N	-1	0	456.411	1.279	40	5		JDBBRM
CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12	ZINC000009971345	555569135	/nfs/dbraw/zinc/56/91/35/555569135.db2.gz	KQSWUIXKQSVDBT-VSYZPCHJSA-N	-1	0	451.460	1.889	40	5		JDBBRM
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12	ZINC000009971344	555569215	/nfs/dbraw/zinc/56/92/15/555569215.db2.gz	KQSWUIXKQSVDBT-JDTQCRIHSA-N	-1	0	451.460	1.889	40	5		JDBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C[C@@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000102533833	569814138	/nfs/dbraw/zinc/81/41/38/569814138.db2.gz	XNAADNRLVTZLRZ-AABGKKOBSA-N	-1	0	475.461	1.992	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1cccc([N+](=O)[O-])c1	ZINC000408639740	569988517	/nfs/dbraw/zinc/98/85/17/569988517.db2.gz	YLMSNBOBQOEDEH-ZDUSSCGKSA-N	-1	0	456.367	1.422	40	5		JDBBRM
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408653674	569995645	/nfs/dbraw/zinc/99/56/45/569995645.db2.gz	FIWZGURZOXQIMQ-CQSZACIVSA-N	-1	0	470.438	1.669	40	5		JDBBRM
COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408657427	569998253	/nfs/dbraw/zinc/99/82/53/569998253.db2.gz	KCANCAKDABJQPI-ZDUSSCGKSA-N	-1	0	456.411	1.279	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1	ZINC000408658873	569999189	/nfs/dbraw/zinc/99/91/89/569999189.db2.gz	RRZDUCLCQIPUED-LBPRGKRZSA-N	-1	0	460.830	1.923	40	5		JDBBRM
C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408662116	570001515	/nfs/dbraw/zinc/00/15/15/570001515.db2.gz	XDWVUNUCSPCFRP-GOEBONIOSA-N	-1	0	454.439	1.509	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1	ZINC000408662751	570001920	/nfs/dbraw/zinc/00/19/20/570001920.db2.gz	XVUCOHJWTOSFQK-GFCCVEGCSA-N	-1	0	460.830	1.923	40	5		JDBBRM
CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408664331	570003136	/nfs/dbraw/zinc/00/31/36/570003136.db2.gz	ZJPHDNNKTNZPOC-OAHLLOKOSA-N	-1	0	468.422	1.473	40	5		JDBBRM
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409145542	570146725	/nfs/dbraw/zinc/14/67/25/570146725.db2.gz	ISQNOEBFZOYQMZ-UHFFFAOYSA-N	-1	0	487.454	1.998	40	5		JDBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409243416	570182975	/nfs/dbraw/zinc/18/29/75/570182975.db2.gz	YMAXYXUYWAYGCF-NTUHNPAUSA-N	-1	0	457.355	1.749	40	5		JDBBRM
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000138726546	569866260	/nfs/dbraw/zinc/86/62/60/569866260.db2.gz	MLKIWVORHGWWBR-LBPRGKRZSA-N	-1	0	490.856	1.932	40	5		JDBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O)N1CCOCC1	ZINC000214270578	569876503	/nfs/dbraw/zinc/87/65/03/569876503.db2.gz	JLXUSZWJCDQQIU-WUXMJOGZSA-N	-1	0	472.273	1.958	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc([N+](=O)[O-])cc1	ZINC000408637033	569987193	/nfs/dbraw/zinc/98/71/93/569987193.db2.gz	FOGNMUPURYUMCP-CYBMUJFWSA-N	-1	0	456.367	1.422	40	5		JDBBRM
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408653673	569995669	/nfs/dbraw/zinc/99/56/69/569995669.db2.gz	FIWZGURZOXQIMQ-AWEZNQCLSA-N	-1	0	470.438	1.669	40	5		JDBBRM
CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408658012	569998587	/nfs/dbraw/zinc/99/85/87/569998587.db2.gz	KMYOKOFFZDIAEJ-HNNXBMFYSA-N	-1	0	454.439	1.832	40	5		JDBBRM
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408662825	570001957	/nfs/dbraw/zinc/00/19/57/570001957.db2.gz	PQNLXEXTWCDKHU-ZDUSSCGKSA-N	-1	0	486.437	1.287	40	5		JDBBRM
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c(OC)c1	ZINC000408670982	570007369	/nfs/dbraw/zinc/00/73/69/570007369.db2.gz	XWRZJUCDUVEGQN-CYBMUJFWSA-N	-1	0	486.437	1.287	40	5		JDBBRM
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c(OC)c1	ZINC000408670984	570007385	/nfs/dbraw/zinc/00/73/85/570007385.db2.gz	XWRZJUCDUVEGQN-ZDUSSCGKSA-N	-1	0	486.437	1.287	40	5		JDBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])c(=O)n2C1	ZINC000408734364	570029853	/nfs/dbraw/zinc/02/98/53/570029853.db2.gz	FWHWJBPVEMTDQR-ACAGNQJTSA-N	-1	0	468.285	1.585	40	5		JDBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C[C@@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000102533824	569814117	/nfs/dbraw/zinc/81/41/17/569814117.db2.gz	XNAADNRLVTZLRZ-AQNXPRMDSA-N	-1	0	475.461	1.992	40	5		JDBBRM
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408651719	569994549	/nfs/dbraw/zinc/99/45/49/569994549.db2.gz	DPDPYGUDJXYTLE-HNNXBMFYSA-N	-1	0	498.448	1.447	40	5		JDBBRM
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408651720	569994555	/nfs/dbraw/zinc/99/45/55/569994555.db2.gz	DPDPYGUDJXYTLE-OAHLLOKOSA-N	-1	0	498.448	1.447	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c(C)c1	ZINC000408654638	569996279	/nfs/dbraw/zinc/99/62/79/569996279.db2.gz	KROQQUJXRVLVPL-HNNXBMFYSA-N	-1	0	454.439	1.887	40	5		JDBBRM
COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408657426	569998259	/nfs/dbraw/zinc/99/82/59/569998259.db2.gz	KCANCAKDABJQPI-CYBMUJFWSA-N	-1	0	456.411	1.279	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1	ZINC000408658871	569999215	/nfs/dbraw/zinc/99/92/15/569999215.db2.gz	RRZDUCLCQIPUED-GFCCVEGCSA-N	-1	0	460.830	1.923	40	5		JDBBRM
Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408663563	570002449	/nfs/dbraw/zinc/00/24/49/570002449.db2.gz	PZIGPATYALIWEH-HNNXBMFYSA-N	-1	0	454.439	1.887	40	5		JDBBRM
Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408663566	570002460	/nfs/dbraw/zinc/00/24/60/570002460.db2.gz	PZIGPATYALIWEH-OAHLLOKOSA-N	-1	0	454.439	1.887	40	5		JDBBRM
CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1	ZINC000408664326	570003110	/nfs/dbraw/zinc/00/31/10/570003110.db2.gz	ZJPHDNNKTNZPOC-HNNXBMFYSA-N	-1	0	468.422	1.473	40	5		JDBBRM
COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408664463	570003241	/nfs/dbraw/zinc/00/32/41/570003241.db2.gz	QPDQULIRSRQSMW-CYBMUJFWSA-N	-1	0	456.411	1.279	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1C	ZINC000408666176	570004496	/nfs/dbraw/zinc/00/44/96/570004496.db2.gz	SKKINRCZRUTLSS-HNNXBMFYSA-N	-1	0	454.439	1.887	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1C	ZINC000408666178	570004506	/nfs/dbraw/zinc/00/45/06/570004506.db2.gz	SKKINRCZRUTLSS-OAHLLOKOSA-N	-1	0	454.439	1.887	40	5		JDBBRM
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408670346	570006987	/nfs/dbraw/zinc/00/69/87/570006987.db2.gz	XCQYYXADSGBBQJ-ZDUSSCGKSA-N	-1	0	456.411	1.279	40	5		JDBBRM
CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408672036	570008126	/nfs/dbraw/zinc/00/81/26/570008126.db2.gz	YSQXBZMTKZBIRC-HNNXBMFYSA-N	-1	0	454.439	1.832	40	5		JDBBRM
O=C(CN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O)N1CCOCC1	ZINC000409129870	570139664	/nfs/dbraw/zinc/13/96/64/570139664.db2.gz	VICVQOJXKFRXLS-KPKJPENVSA-N	-1	0	472.273	1.958	40	5		JDBBRM
Cn1c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c(N3CCN(C)CC3)cc2n(C)c1=O	ZINC000408534810	570189599	/nfs/dbraw/zinc/18/95/99/570189599.db2.gz	RHHSHSNSLMPCQR-UHFFFAOYSA-N	-1	0	460.516	1.338	40	5		JDBBRM
Cc1nn2c(nc([O-])c(C(c3ccc([N+](=O)[O-])cc3)c3c(O)nc4sc(C)nn4c3=O)c2=O)s1	ZINC000013590642	555525214	/nfs/dbraw/zinc/52/52/14/555525214.db2.gz	TYKZQQQOLAGFAT-UHFFFAOYSA-N	-1	0	499.490	1.732	40	5		JDBBRM
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12	ZINC000009971333	555569189	/nfs/dbraw/zinc/56/91/89/555569189.db2.gz	HOZXGRGHOSWJSW-PIQCPNNKSA-N	-1	0	467.459	1.473	40	5		JDBBRM
COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12	ZINC000009971331	555569264	/nfs/dbraw/zinc/56/92/64/555569264.db2.gz	HOZXGRGHOSWJSW-SUJFRNQASA-N	-1	0	467.459	1.473	40	5		JDBBRM
CCSc1nnc(C)n1[N-]C(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022532239	555932130	/nfs/dbraw/zinc/93/21/30/555932130.db2.gz	AMZGTEKZIYVKFT-UHFFFAOYSA-N	-1	0	451.534	1.702	40	5		JDBBRM
COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408639115	569988169	/nfs/dbraw/zinc/98/81/69/569988169.db2.gz	VFEGXXSOWNJENM-ZFWWWQNUSA-N	-1	0	455.423	1.911	40	5		JDBBRM
Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c1C	ZINC000408651911	569994601	/nfs/dbraw/zinc/99/46/01/569994601.db2.gz	BQUKQYHAKPQNQJ-OAHLLOKOSA-N	-1	0	454.439	1.887	40	5		JDBBRM
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)c(C)c1	ZINC000408654640	569996289	/nfs/dbraw/zinc/99/62/89/569996289.db2.gz	KROQQUJXRVLVPL-OAHLLOKOSA-N	-1	0	454.439	1.887	40	5		JDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1Cl	ZINC000408655191	569996700	/nfs/dbraw/zinc/99/67/00/569996700.db2.gz	LJNOLBZIRNINJV-GFCCVEGCSA-N	-1	0	460.830	1.923	40	5		JDBBRM
CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408657884	569998506	/nfs/dbraw/zinc/99/85/06/569998506.db2.gz	PQRHQOZDLPTAAK-HNNXBMFYSA-N	-1	0	468.422	1.473	40	5		JDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1	ZINC000408662753	570001886	/nfs/dbraw/zinc/00/18/86/570001886.db2.gz	XVUCOHJWTOSFQK-LBPRGKRZSA-N	-1	0	460.830	1.923	40	5		JDBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C[C@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000253592591	570104064	/nfs/dbraw/zinc/10/40/64/570104064.db2.gz	XNAADNRLVTZLRZ-XUVXKRRUSA-N	-1	0	475.461	1.992	40	5		JDBBRM
Cn1c([O-])c(C(c2ccccc2[N+](=O)[O-])=C2C(=O)N(C)C(=S)N(C)C2=O)c(=O)n(C)c1=S	ZINC000409095581	570126559	/nfs/dbraw/zinc/12/65/59/570126559.db2.gz	IIXNRJOGIQFYNH-UHFFFAOYSA-N	-1	0	475.508	1.084	40	5		JDBBRM
COC(=O)C(=C([O-])C(=O)Nc1ccc(N)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]c1=O	ZINC000008653487	194472712	/nfs/dbraw/zinc/47/27/12/194472712.db2.gz	OZVPNBFAEZUYSK-AWEZNQCLSA-N	-1	0	459.802	1.944	40	5		JDBBRM
COC(=O)C(=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000008659607	562948642	/nfs/dbraw/zinc/94/86/42/562948642.db2.gz	SQHPFUOMSJZINT-CQSZACIVSA-N	-1	0	455.339	1.616	40	5		JDBBRM
COC(=O)C(=C([O-])C(=O)Nc1ccc(N)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]c1=O	ZINC000008663803	562948756	/nfs/dbraw/zinc/94/87/56/562948756.db2.gz	OZVPNBFAEZUYSK-CQSZACIVSA-N	-1	0	459.802	1.944	40	5		JDBBRM
CC1C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C[C@@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O	ZINC000102533829	569814119	/nfs/dbraw/zinc/81/41/19/569814119.db2.gz	XNAADNRLVTZLRZ-ZCNNSNEGSA-N	-1	0	475.461	1.992	40	5		JDBBRM
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408656157	569997397	/nfs/dbraw/zinc/99/73/97/569997397.db2.gz	MQVNJABATAKUDT-AWEZNQCLSA-N	-1	0	470.438	1.669	40	5		JDBBRM
CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408658014	569998637	/nfs/dbraw/zinc/99/86/37/569998637.db2.gz	KMYOKOFFZDIAEJ-OAHLLOKOSA-N	-1	0	454.439	1.832	40	5		JDBBRM
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2)cc1	ZINC000408660085	569999982	/nfs/dbraw/zinc/99/99/82/569999982.db2.gz	UOOXAGKRQASGFP-AWEZNQCLSA-N	-1	0	484.421	1.057	40	5		JDBBRM
C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408662114	570001527	/nfs/dbraw/zinc/00/15/27/570001527.db2.gz	XDWVUNUCSPCFRP-GDBMZVCRSA-N	-1	0	454.439	1.509	40	5		JDBBRM
COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000408664467	570003212	/nfs/dbraw/zinc/00/32/12/570003212.db2.gz	QPDQULIRSRQSMW-ZDUSSCGKSA-N	-1	0	456.411	1.279	40	5		JDBBRM