smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000262213296	165310227	/nfs/dbraw/zinc/31/02/27/165310227.db2.gz	PZTAMDCPYKGOCF-VIFPVBQESA-N	-1	0	328.325	0.566	10	5		ECBERM
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-]	ZINC000262139460	165298108	/nfs/dbraw/zinc/29/81/08/165298108.db2.gz	IKIKVCVMQSICKN-SNVBAGLBSA-N	-1	0	342.352	0.874	10	5		ECBERM
Nc1[nH]c(=S)[nH]c(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000018203345	201369046	/nfs/dbraw/zinc/36/90/46/201369046.db2.gz	HCQSBSMYZOJTJZ-UHFFFAOYSA-N	-1	0	343.346	0.350	10	5		ECBERM
CCOc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000262854874	165394410	/nfs/dbraw/zinc/39/44/10/165394410.db2.gz	XXEPLDQDRGLBLP-UHFFFAOYSA-N	-1	0	349.303	0.600	10	5		ECBERM
CCc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1[N+](=O)[O-]	ZINC000262800748	165389726	/nfs/dbraw/zinc/38/97/26/165389726.db2.gz	MMJVKIHQQBAVDV-UHFFFAOYSA-N	-1	0	333.304	0.763	10	5		ECBERM
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262877546	165396214	/nfs/dbraw/zinc/39/62/14/165396214.db2.gz	XGMPKDURQPJYDK-IINYFYTJSA-N	-1	0	338.316	0.970	10	5		ECBERM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262926745	299248409	/nfs/dbraw/zinc/24/84/09/299248409.db2.gz	KXNLTWKCYTWMQO-XVKPBYJWSA-N	-1	0	327.268	0.252	10	5		ECBERM
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000021011792	436113959	/nfs/dbraw/zinc/11/39/59/436113959.db2.gz	ZJSYZGCLHVVQPL-MLUIRONXSA-N	-1	0	338.725	0.361	10	5		ECBERM
O=C([O-])[C@H](CF)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263028353	245301719	/nfs/dbraw/zinc/30/17/19/245301719.db2.gz	URQCETYIUXCTSC-JTQLQIEISA-N	-1	0	327.268	0.254	10	5		ECBERM
O=C(COc1ccccc1[N+](=O)[O-])N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262877545	165396627	/nfs/dbraw/zinc/39/66/27/165396627.db2.gz	XGMPKDURQPJYDK-HZMBPMFUSA-N	-1	0	338.316	0.970	10	5		ECBERM
O=C([O-])[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F	ZINC000262291984	165323865	/nfs/dbraw/zinc/32/38/65/165323865.db2.gz	OTPAIFYEDJVLAA-HTQZYQBOSA-N	-1	0	336.226	0.513	10	5		ECBERM
COc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000262366555	165339110	/nfs/dbraw/zinc/33/91/10/165339110.db2.gz	HUZKBGJRWSOQQY-CYBMUJFWSA-N	-1	0	328.277	0.177	10	5		ECBERM
O=C(COc1ccccc1[N+](=O)[O-])N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262877548	165397349	/nfs/dbraw/zinc/39/73/49/165397349.db2.gz	XGMPKDURQPJYDK-YGRLFVJLSA-N	-1	0	338.316	0.970	10	5		ECBERM
COC(=O)CNC(=O)c1ccc(N(C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000262092339	165288800	/nfs/dbraw/zinc/28/88/00/165288800.db2.gz	HGJLFWSZWKJABM-MRVPVSSYSA-N	-1	0	339.304	0.407	10	5		ECBERM
CC(C)(C)OCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000262213295	165310814	/nfs/dbraw/zinc/31/08/14/165310814.db2.gz	PZTAMDCPYKGOCF-SECBINFHSA-N	-1	0	328.325	0.566	10	5		ECBERM
O=C([O-])[C@H]1COCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263279009	304200210	/nfs/dbraw/zinc/20/02/10/304200210.db2.gz	RGZOUPKRRHICEI-SECBINFHSA-N	-1	0	338.301	0.525	10	5		ECBERM
O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000005891085	435993912	/nfs/dbraw/zinc/99/39/12/435993912.db2.gz	BIUQLSDCDAWTAM-QMMMGPOBSA-N	-1	0	338.338	0.663	10	5		ECBERM
CC(C)(C)OCC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000262106223	165293000	/nfs/dbraw/zinc/29/30/00/165293000.db2.gz	IBMQTWJHUPXJDD-NSHDSACASA-N	-1	0	342.352	0.956	10	5		ECBERM
CC(C)(C)OCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000262239221	165314493	/nfs/dbraw/zinc/31/44/93/165314493.db2.gz	XUTSVIFTAOPKEM-JTQLQIEISA-N	-1	0	328.325	0.566	10	5		ECBERM
O=C([O-])Cn1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)nn1	ZINC000262863405	165394784	/nfs/dbraw/zinc/39/47/84/165394784.db2.gz	ZYUIIXSMDYFAFB-UHFFFAOYSA-N	-1	0	333.304	0.520	10	5		ECBERM
CN(CC(=O)NCc1cn(CC(=O)[O-])nn1)c1ccccc1[N+](=O)[O-]	ZINC000262696563	263177416	/nfs/dbraw/zinc/17/74/16/263177416.db2.gz	DXWZKLLLUGZNMZ-UHFFFAOYSA-N	-1	0	348.319	0.024	10	5		ECBERM
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000021010121	212198959	/nfs/dbraw/zinc/19/89/59/212198959.db2.gz	ILVCJLFYAKXEGA-MLUIRONXSA-N	-1	0	338.725	0.361	10	5		ECBERM
O=C([O-])[C@@]1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCOC1	ZINC000262656820	245105756	/nfs/dbraw/zinc/10/57/56/245105756.db2.gz	ACLIIPHJFPJLAI-GFCCVEGCSA-N	-1	0	338.301	0.573	10	5		ECBERM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000262134370	165296299	/nfs/dbraw/zinc/29/62/99/165296299.db2.gz	KYTVCQDDFTWNNR-UFBFGSQYSA-N	-1	0	335.316	0.693	10	5		ECBERM
Cc1cc(C(=O)NCC(=O)N(C)C(C)(C)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000262800801	165389828	/nfs/dbraw/zinc/38/98/28/165389828.db2.gz	RNVICVFIPNRGGU-UHFFFAOYSA-N	-1	0	337.332	0.955	10	5		ECBERM
C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])CCS(=O)(=O)C1	ZINC000005677670	435990581	/nfs/dbraw/zinc/99/05/81/435990581.db2.gz	UQSKXHLLVMRIJC-CYBMUJFWSA-N	-1	0	342.329	0.600	10	5		ECBERM
CCN(CCO)c1ncnc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000040617873	535742963	/nfs/dbraw/zinc/74/29/63/535742963.db2.gz	AWYGWONIYFCZNL-UHFFFAOYSA-N	-1	0	339.352	0.504	10	5		ECBERM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000005889520	435994562	/nfs/dbraw/zinc/99/45/62/435994562.db2.gz	SDHXYQFMTMSGGN-ZETCQYMHSA-N	-1	0	328.302	0.210	10	5		ECBERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1	ZINC000262123133	294650398	/nfs/dbraw/zinc/65/03/98/294650398.db2.gz	JBLIVZIDSLHYPK-GXFFZTMASA-N	-1	0	337.332	0.732	10	5		ECBERM
O=C([O-])c1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-]	ZINC000005889533	435993172	/nfs/dbraw/zinc/99/31/72/435993172.db2.gz	HLJAWCRIWVCXFX-SSDOTTSWSA-N	-1	0	328.302	0.210	10	5		ECBERM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1	ZINC000113298743	436637174	/nfs/dbraw/zinc/63/71/74/436637174.db2.gz	RDZBPEATDUOWGQ-MRVPVSSYSA-N	-1	0	341.324	0.619	10	5		ECBERM
Cc1c(C(=O)NC2(C(=O)[O-])CC2)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000263173297	436953343	/nfs/dbraw/zinc/95/33/43/436953343.db2.gz	SIOFHLCGFZKLGH-UHFFFAOYSA-N	-1	0	331.288	0.831	10	5		ECBERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC000262118360	294594265	/nfs/dbraw/zinc/59/42/65/294594265.db2.gz	IFQONVXYEUERLP-QWRGUYRKSA-N	-1	0	340.336	0.499	10	5		ECBERM
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000262177855	436912206	/nfs/dbraw/zinc/91/22/06/436912206.db2.gz	RMGWNLRXBISXPC-NSHDSACASA-N	-1	0	344.345	0.981	10	5		ECBERM
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000262177854	436913043	/nfs/dbraw/zinc/91/30/43/436913043.db2.gz	RMGWNLRXBISXPC-LLVKDONJSA-N	-1	0	344.345	0.981	10	5		ECBERM
CS(=O)(=O)c1cc(NCCCc2nc(=O)[n-][nH]2)ccc1[N+](=O)[O-]	ZINC000125678555	436775498	/nfs/dbraw/zinc/77/54/98/436775498.db2.gz	DUFJQYLDCBTXRU-UHFFFAOYSA-N	-1	0	341.349	0.454	10	5		ECBERM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000262134364	165296635	/nfs/dbraw/zinc/29/66/35/165296635.db2.gz	KYTVCQDDFTWNNR-PELKAZGASA-N	-1	0	335.316	0.693	10	5		ECBERM
CN(C(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000005674933	435991553	/nfs/dbraw/zinc/99/15/53/435991553.db2.gz	XXWWXPKMCPTQPH-MRVPVSSYSA-N	-1	0	342.329	0.552	10	5		ECBERM
CO[C@@]1([N+](=O)[O-])C=CC(S(=O)(=O)[O-])=C(c2ccccc2)[C@@H]1N	ZINC000098089820	219082815	/nfs/dbraw/zinc/08/28/15/219082815.db2.gz	GLIJOFYMEAWNTK-STQMWFEESA-N	-1	0	326.330	0.802	10	5		ECBERM
COc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])cc([N+](=O)[O-])c1OC	ZINC000262366557	165338592	/nfs/dbraw/zinc/33/85/92/165338592.db2.gz	HUZKBGJRWSOQQY-ZDUSSCGKSA-N	-1	0	328.277	0.177	10	5		ECBERM
C[N+](C)([O-])CCn1ncc2c(c1=O)S(=O)(=O)c1ccccc1[N-]2	ZINC000033895003	717123290	/nfs/dbraw/zinc/12/32/90/717123290.db2.gz	PNNSMLFJYIKRNT-UHFFFAOYSA-N	-1	0	336.373	0.707	10	5		ECBERM
O=C([O-])c1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-]	ZINC000005889545	435993988	/nfs/dbraw/zinc/99/39/88/435993988.db2.gz	HLJAWCRIWVCXFX-ZETCQYMHSA-N	-1	0	328.302	0.210	10	5		ECBERM
O=C([O-])CNC(=O)CNc1ccc(Br)cc1[N+](=O)[O-]	ZINC000035384583	213024831	/nfs/dbraw/zinc/02/48/31/213024831.db2.gz	SNXLGEVRGZPJNY-UHFFFAOYSA-N	-1	0	332.110	0.970	10	5		ECBERM
O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000005891062	435993456	/nfs/dbraw/zinc/99/34/56/435993456.db2.gz	BIUQLSDCDAWTAM-MRVPVSSYSA-N	-1	0	338.338	0.663	10	5		ECBERM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262926739	296105688	/nfs/dbraw/zinc/10/56/88/296105688.db2.gz	KXNLTWKCYTWMQO-GMSGAONNSA-N	-1	0	327.268	0.252	10	5		ECBERM
O=C([O-])C1=CC[C@](I)([N+](=O)[O-])C=C1[N+](=O)[O-]	ZINC000095932614	304035590	/nfs/dbraw/zinc/03/55/90/304035590.db2.gz	OMPHFIVMOJSLJF-ZETCQYMHSA-N	-1	0	340.029	0.970	10	5		ECBERM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1	ZINC000113298744	285157082	/nfs/dbraw/zinc/15/70/82/285157082.db2.gz	RDZBPEATDUOWGQ-QMMMGPOBSA-N	-1	0	341.324	0.619	10	5		ECBERM
O=C([O-])[C@@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000214939151	304137193	/nfs/dbraw/zinc/13/71/93/304137193.db2.gz	UJMBQAAQDOHTNJ-JTQLQIEISA-N	-1	0	332.359	0.786	10	5		ECBERM
O=C([O-])[C@H]1CSCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000110297368	304201861	/nfs/dbraw/zinc/20/18/61/304201861.db2.gz	GDCJTSGKOPIBSL-SNVBAGLBSA-N	-1	0	332.359	0.786	10	5		ECBERM
O=c1[n-]c([N+](=O)[O-])nn1-c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000138945992	436663786	/nfs/dbraw/zinc/66/37/86/436663786.db2.gz	SKKDYBFBNCVBID-UHFFFAOYSA-N	-1	0	341.152	0.193	10	5		ECBERM
O=C([O-])[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F	ZINC000262223391	165311824	/nfs/dbraw/zinc/31/18/24/165311824.db2.gz	JQILAFIEGPDGNQ-RNFRBKRXSA-N	-1	0	336.226	0.513	10	5		ECBERM
COCC[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262279431	244900733	/nfs/dbraw/zinc/90/07/33/244900733.db2.gz	IRKRRGYHCMHWRW-SSDOTTSWSA-N	-1	0	340.317	0.819	10	5		ECBERM
C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])CCS(=O)(=O)C1	ZINC000005677079	201658930	/nfs/dbraw/zinc/65/89/30/201658930.db2.gz	UQSKXHLLVMRIJC-ZDUSSCGKSA-N	-1	0	342.329	0.600	10	5		ECBERM
O=C([O-])[C@H]1CSCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000110297348	304201817	/nfs/dbraw/zinc/20/18/17/304201817.db2.gz	WJLIGPPSFHIBQH-SECBINFHSA-N	-1	0	332.359	0.786	10	5		ECBERM
C[C@@]1(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000005677662	435990597	/nfs/dbraw/zinc/99/05/97/435990597.db2.gz	HNASYHUXNHVUQW-CYBMUJFWSA-N	-1	0	342.329	0.600	10	5		ECBERM
O=[N+]([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)[O-])ccc1Cl	ZINC000164258571	436930838	/nfs/dbraw/zinc/93/08/38/436930838.db2.gz	CZMCASANCBTXQG-UHFFFAOYSA-N	-1	0	344.754	0.414	10	5		ECBERM
Cc1cc([N-]c2ncnc(NN3CCN(C)CC3)c2[N+](=O)[O-])no1	ZINC000040582137	213354111	/nfs/dbraw/zinc/35/41/11/213354111.db2.gz	SPUGXJBVYAAGIA-UHFFFAOYSA-N	-1	0	334.340	0.999	10	5		ECBERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000262154508	165299628	/nfs/dbraw/zinc/29/96/28/165299628.db2.gz	OCOCWJYXJXVTNP-GZMMTYOYSA-N	-1	0	334.288	0.785	10	5		ECBERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000262154509	165300080	/nfs/dbraw/zinc/30/00/80/165300080.db2.gz	OCOCWJYXJXVTNP-KCJUWKMLSA-N	-1	0	334.288	0.785	10	5		ECBERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000262154510	165300582	/nfs/dbraw/zinc/30/05/82/165300582.db2.gz	OCOCWJYXJXVTNP-KWQFWETISA-N	-1	0	334.288	0.785	10	5		ECBERM
CO[C@]1([N+](=O)[O-])C=CC(S(=O)(=O)[O-])=C(c2ccccc2)[C@H]1N	ZINC000098089821	219083092	/nfs/dbraw/zinc/08/30/92/219083092.db2.gz	GLIJOFYMEAWNTK-CHWSQXEVSA-N	-1	0	326.330	0.802	10	5		ECBERM
CCN(CC(=O)[O-])C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000262450807	436934209	/nfs/dbraw/zinc/93/42/09/436934209.db2.gz	QZFNFKUGEZONOC-UHFFFAOYSA-N	-1	0	341.345	0.719	10	5		ECBERM
CN(C(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000005674928	435991541	/nfs/dbraw/zinc/99/15/41/435991541.db2.gz	AXJTWSNUUIJNJW-MRVPVSSYSA-N	-1	0	342.329	0.552	10	5		ECBERM
O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)C2=CCS(=O)(=O)C2)c1	ZINC000005891043	435995018	/nfs/dbraw/zinc/99/50/18/435995018.db2.gz	GKLCJQVGGAHJKY-UHFFFAOYSA-N	-1	0	336.322	0.788	10	5		ECBERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC000262118362	294650298	/nfs/dbraw/zinc/65/02/98/294650298.db2.gz	IFQONVXYEUERLP-WDEREUQCSA-N	-1	0	340.336	0.499	10	5		ECBERM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000005889512	435993685	/nfs/dbraw/zinc/99/36/85/435993685.db2.gz	SDHXYQFMTMSGGN-SSDOTTSWSA-N	-1	0	328.302	0.210	10	5		ECBERM
CN(C(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000005674952	435991523	/nfs/dbraw/zinc/99/15/23/435991523.db2.gz	XXWWXPKMCPTQPH-QMMMGPOBSA-N	-1	0	342.329	0.552	10	5		ECBERM
C[C@]1(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000005677073	435990809	/nfs/dbraw/zinc/99/08/09/435990809.db2.gz	HNASYHUXNHVUQW-ZDUSSCGKSA-N	-1	0	342.329	0.600	10	5		ECBERM
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(C(=O)[O-])CC1	ZINC000263157062	436953278	/nfs/dbraw/zinc/95/32/78/436953278.db2.gz	NTRBVTPXSYGGQI-UHFFFAOYSA-N	-1	0	335.272	0.054	10	5		ECBERM
O=C([O-])COCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263453402	436967182	/nfs/dbraw/zinc/96/71/82/436967182.db2.gz	OQMXQDJFYHJHKD-UHFFFAOYSA-N	-1	0	326.290	0.431	10	5		ECBERM
Cc1n[nH]c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC000262202653	165308010	/nfs/dbraw/zinc/30/80/10/165308010.db2.gz	IHIWXPBBOFTBQP-PHDIDXHHSA-N	-1	0	336.226	0.961	10	5		ECBERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC000262118356	293861586	/nfs/dbraw/zinc/86/15/86/293861586.db2.gz	IFQONVXYEUERLP-MNOVXSKESA-N	-1	0	340.336	0.499	10	5		ECBERM
CC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)[O-]	ZINC000098088400	219081682	/nfs/dbraw/zinc/08/16/82/219081682.db2.gz	VTYTZXHLNVVKRI-LLVKDONJSA-N	-1	0	341.345	0.392	10	5		ECBERM
O=C([O-])[C@@H]1COCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000263279013	304135723	/nfs/dbraw/zinc/13/57/23/304135723.db2.gz	RGZOUPKRRHICEI-VIFPVBQESA-N	-1	0	338.301	0.525	10	5		ECBERM
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262877547	165396394	/nfs/dbraw/zinc/39/63/94/165396394.db2.gz	XGMPKDURQPJYDK-QMTHXVAHSA-N	-1	0	338.316	0.970	10	5		ECBERM
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-]	ZINC000262139459	165298230	/nfs/dbraw/zinc/29/82/30/165298230.db2.gz	IKIKVCVMQSICKN-JTQLQIEISA-N	-1	0	342.352	0.874	10	5		ECBERM
CC(C)(C)OCC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000262106222	165292851	/nfs/dbraw/zinc/29/28/51/165292851.db2.gz	IBMQTWJHUPXJDD-LLVKDONJSA-N	-1	0	342.352	0.956	10	5		ECBERM
O=C([O-])CCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34	ZINC000026438370	304064741	/nfs/dbraw/zinc/06/47/41/304064741.db2.gz	BQYAKJFCMVYOHC-UHFFFAOYSA-N	-1	0	338.275	0.067	10	5		ECBERM
CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000262280770	165322278	/nfs/dbraw/zinc/32/22/78/165322278.db2.gz	KVCXHJCNIVEKGN-UHFFFAOYSA-N	-1	0	337.332	0.968	10	5		ECBERM
O=C([O-])[C@]1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCOC1	ZINC000262656821	245104917	/nfs/dbraw/zinc/10/49/17/245104917.db2.gz	ACLIIPHJFPJLAI-LBPRGKRZSA-N	-1	0	338.301	0.573	10	5		ECBERM
CC1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)(C(=O)[O-])CC1	ZINC000262067057	165284094	/nfs/dbraw/zinc/28/40/94/165284094.db2.gz	BTTHMQMIYWSZHV-UHFFFAOYSA-N	-1	0	337.332	0.906	10	5		ECBERM
O=C([O-])[C@@H]1CSCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000110297374	304137286	/nfs/dbraw/zinc/13/72/86/304137286.db2.gz	GDCJTSGKOPIBSL-JTQLQIEISA-N	-1	0	332.359	0.786	10	5		ECBERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000262154511	165299558	/nfs/dbraw/zinc/29/95/58/165299558.db2.gz	OCOCWJYXJXVTNP-LDYMZIIASA-N	-1	0	334.288	0.785	10	5		ECBERM
O=C([O-])[C@@H](CF)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000263028357	245302656	/nfs/dbraw/zinc/30/26/56/245302656.db2.gz	URQCETYIUXCTSC-SNVBAGLBSA-N	-1	0	327.268	0.254	10	5		ECBERM
COC(=O)CNC(=O)c1ccc(N(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000262092342	165289324	/nfs/dbraw/zinc/28/93/24/165289324.db2.gz	HGJLFWSZWKJABM-QMMMGPOBSA-N	-1	0	339.304	0.407	10	5		ECBERM
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000262134368	165296182	/nfs/dbraw/zinc/29/61/82/165296182.db2.gz	KYTVCQDDFTWNNR-QPUJVOFHSA-N	-1	0	335.316	0.693	10	5		ECBERM
CN(C(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000005674948	435991109	/nfs/dbraw/zinc/99/11/09/435991109.db2.gz	AXJTWSNUUIJNJW-QMMMGPOBSA-N	-1	0	342.329	0.552	10	5		ECBERM
O=C([O-])C1=CC[C@@](I)([N+](=O)[O-])C=C1[N+](=O)[O-]	ZINC000095932613	304035678	/nfs/dbraw/zinc/03/56/78/304035678.db2.gz	OMPHFIVMOJSLJF-SSDOTTSWSA-N	-1	0	340.029	0.970	10	5		ECBERM
O=C([O-])[C@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000214939105	304201823	/nfs/dbraw/zinc/20/18/23/304201823.db2.gz	UJMBQAAQDOHTNJ-SNVBAGLBSA-N	-1	0	332.359	0.786	10	5		ECBERM
CC(C)(C)OCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000262239224	165314597	/nfs/dbraw/zinc/31/45/97/165314597.db2.gz	XUTSVIFTAOPKEM-SNVBAGLBSA-N	-1	0	328.325	0.566	10	5		ECBERM
CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1	ZINC000262804795	165389651	/nfs/dbraw/zinc/38/96/51/165389651.db2.gz	NEOBRJPKQALLRB-UHFFFAOYSA-N	-1	0	325.325	0.294	10	5		ECBERM
O=C([O-])[C@@H]1CSCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000110297351	220027787	/nfs/dbraw/zinc/02/77/87/220027787.db2.gz	WJLIGPPSFHIBQH-VIFPVBQESA-N	-1	0	332.359	0.786	10	5		ECBERM
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000262134366	165296339	/nfs/dbraw/zinc/29/63/39/165296339.db2.gz	KYTVCQDDFTWNNR-PRHODGIISA-N	-1	0	335.316	0.693	10	5		ECBERM
CO[C@@]1([N+](=O)[O-])C=CC(S(=O)(=O)[O-])=C(c2ccccc2)[C@H]1N	ZINC000098089822	219083017	/nfs/dbraw/zinc/08/30/17/219083017.db2.gz	GLIJOFYMEAWNTK-OLZOCXBDSA-N	-1	0	326.330	0.802	10	5		ECBERM
COCC[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262279433	244901999	/nfs/dbraw/zinc/90/19/99/244901999.db2.gz	IRKRRGYHCMHWRW-ZETCQYMHSA-N	-1	0	340.317	0.819	10	5		ECBERM