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-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000013387776	527579172	/nfs/dbraw/zinc/57/91/72/527579172.db2.gz	KBMHPUSNMCJDST-OAQYLSRUSA-N	-1	1	437.448	3.639	50	30		IHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)c1	ZINC000033170543	556885917	/nfs/dbraw/zinc/88/59/17/556885917.db2.gz	YITLLJYPBOODEI-UHFFFAOYSA-N	-1	1	435.490	3.616	50	30		IHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000101069872	557223391	/nfs/dbraw/zinc/22/33/91/557223391.db2.gz	YQCTWRHSFARBKJ-IBOXJLQUSA-N	-1	1	440.253	3.767	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000102499966	557337179	/nfs/dbraw/zinc/33/71/79/557337179.db2.gz	QWDKZJPPBVCERK-LFVOPCPISA-N	-1	1	429.856	3.635	50	30		IHEAMM
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)s1	ZINC000102598916	557357829	/nfs/dbraw/zinc/35/78/29/557357829.db2.gz	CFOWPKMQTMUQJV-IDTYTIONSA-N	-1	1	443.506	3.878	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102725752	557369912	/nfs/dbraw/zinc/36/99/12/557369912.db2.gz	KCJHJWQJYOXBJW-WOOAAIBNSA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102803915	557386026	/nfs/dbraw/zinc/38/60/26/557386026.db2.gz	KQTBMMPVKISBTQ-WOOAAIBNSA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000102804006	557386042	/nfs/dbraw/zinc/38/60/42/557386042.db2.gz	XITPQAQUCBVINP-JBCNATCCSA-N	-1	1	434.448	3.935	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102800647	557390587	/nfs/dbraw/zinc/39/05/87/557390587.db2.gz	AZLNXSPQGZYYTR-GROYHEBESA-N	-1	1	437.433	3.686	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000086056891	568642068	/nfs/dbraw/zinc/64/20/68/568642068.db2.gz	KTDHTYXSNVCRKL-QGZVFWFLSA-N	-1	1	447.516	3.557	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000086056888	568642087	/nfs/dbraw/zinc/64/20/87/568642087.db2.gz	KTDHTYXSNVCRKL-KRWDZBQOSA-N	-1	1	447.516	3.557	50	30		IHEAMM
C=CCOc1ccc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000006143980	568845818	/nfs/dbraw/zinc/84/58/18/568845818.db2.gz	BWYPUPSQTWYCAS-QGZVFWFLSA-N	-1	1	439.537	3.833	50	30		IHEAMM
CCCc1sc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c2C)c(C#N)c1C	ZINC000000638247	569284887	/nfs/dbraw/zinc/28/48/87/569284887.db2.gz	IYGLZYCOAJKEAF-DHDCSXOGSA-N	-1	1	426.567	3.545	50	30		IHEAMM
N#Cc1cc2c(nc1N1CCN([C@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC1)CCCC2	ZINC000032101475	569460061	/nfs/dbraw/zinc/46/00/61/569460061.db2.gz	ZUAMOCAQZCTEHJ-QFIPXVFZSA-N	-1	1	449.942	3.915	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccnc1	ZINC000013691441	524193166	/nfs/dbraw/zinc/19/31/66/524193166.db2.gz	QHEFIXORMMQLKT-INIZCTEOSA-N	-1	1	442.884	3.686	50	30		IHEAMM
N=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000095671152	526804941	/nfs/dbraw/zinc/80/49/41/526804941.db2.gz	ZXDAKBNIYIBFPN-UHFFFAOYSA-N	-1	1	433.234	3.885	50	30		IHEAMM
CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000008742791	556207622	/nfs/dbraw/zinc/20/76/22/556207622.db2.gz	VJQLZSSQEGZCJN-SFHVURJKSA-N	-1	1	437.477	3.734	50	30		IHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Br)cc2)o1	ZINC000008987719	556238813	/nfs/dbraw/zinc/23/88/13/556238813.db2.gz	ODQMTNJSUWMWRC-MRXNPFEDSA-N	-1	1	440.253	3.923	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OCc3cccc4ccccc43)c2)NC1=O	ZINC000015857545	556558251	/nfs/dbraw/zinc/55/82/51/556558251.db2.gz	WWRXPDFZLGCEKD-AFEQLLIESA-N	-1	1	433.489	3.815	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000017316788	556675294	/nfs/dbraw/zinc/67/52/94/556675294.db2.gz	YPQSLXIDUBLOER-OAHLLOKOSA-N	-1	1	426.498	3.991	50	30		IHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1	ZINC000033293228	557076339	/nfs/dbraw/zinc/07/63/39/557076339.db2.gz	KTEDHOAVCZWUDF-UHFFFAOYSA-N	-1	1	435.490	3.616	50	30		IHEAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102436758	557322930	/nfs/dbraw/zinc/32/29/30/557322930.db2.gz	JEISALBHELUSEQ-ORMOWBNMSA-N	-1	1	447.241	3.820	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102597584	557357430	/nfs/dbraw/zinc/35/74/30/557357430.db2.gz	CNPRLWWSVSNLDZ-SELCWUDQSA-N	-1	1	438.436	3.680	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000102597588	557357554	/nfs/dbraw/zinc/35/75/54/557357554.db2.gz	CNPRLWWSVSNLDZ-GHNGSUTGSA-N	-1	1	438.436	3.680	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1C	ZINC000102713966	557374479	/nfs/dbraw/zinc/37/44/79/557374479.db2.gz	GAMNJDUIVKWXCQ-MRJHHRETSA-N	-1	1	434.448	3.935	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102806400	557387158	/nfs/dbraw/zinc/38/71/58/557387158.db2.gz	FDLNKROYTVNBJG-YDJIHCHBSA-N	-1	1	449.419	3.916	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102806400	557387159	/nfs/dbraw/zinc/38/71/59/557387159.db2.gz	FDLNKROYTVNBJG-YDJIHCHBSA-N	-1	1	449.419	3.916	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102806304	557387289	/nfs/dbraw/zinc/38/72/89/557387289.db2.gz	ZZDRLHGVQSWUFI-YDJIHCHBSA-N	-1	1	449.419	3.916	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102806304	557387294	/nfs/dbraw/zinc/38/72/94/557387294.db2.gz	ZZDRLHGVQSWUFI-YDJIHCHBSA-N	-1	1	449.419	3.916	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000102797696	557389051	/nfs/dbraw/zinc/38/90/51/557389051.db2.gz	ZVFGEYDMNBGGNG-NHFXJNLRSA-N	-1	1	432.407	3.634	50	30		IHEAMM
CCOc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(Br)c1OCC(=O)N(C)C	ZINC000033527596	557404299	/nfs/dbraw/zinc/40/42/99/557404299.db2.gz	RLDZXQIMZYIIMN-YHYXMXQVSA-N	-1	1	448.313	3.917	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000000934469	568638711	/nfs/dbraw/zinc/63/87/11/568638711.db2.gz	GKFJBBAIPBNTIL-INIZCTEOSA-N	-1	1	425.397	3.973	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1	ZINC000086057608	568642849	/nfs/dbraw/zinc/64/28/49/568642849.db2.gz	BDBOBJPZHPYNFQ-KRWDZBQOSA-N	-1	1	435.480	3.687	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000000959803	568646579	/nfs/dbraw/zinc/64/65/79/568646579.db2.gz	OOSBQAYFWDPXFF-MRXNPFEDSA-N	-1	1	425.510	3.811	50	30		IHEAMM
C=CCc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1OCc1ccccc1	ZINC000009010328	568817488	/nfs/dbraw/zinc/81/74/88/568817488.db2.gz	VZYRYUNATSMSCB-ZHACJKMWSA-N	-1	1	435.436	3.870	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000001451141	568818649	/nfs/dbraw/zinc/81/86/49/568818649.db2.gz	IBZCEGSEWHPBCP-IBGZPJMESA-N	-1	1	435.392	3.683	50	30		IHEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C(=O)[N-]C1=S	ZINC000001155178	568833279	/nfs/dbraw/zinc/83/32/79/568833279.db2.gz	QIJGGSASIJCUBS-LDADJPATSA-N	-1	1	440.496	3.616	50	30		IHEAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1NC(C)=O	ZINC000023055219	568859185	/nfs/dbraw/zinc/85/91/85/568859185.db2.gz	GZRLKSVXQRUXED-UHFFFAOYSA-N	-1	1	426.519	3.916	50	30		IHEAMM
Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)[n-]c(=O)c1Cc1ccccc1	ZINC000011905577	569303293	/nfs/dbraw/zinc/30/32/93/569303293.db2.gz	NYGFFDYYTWGUBC-UHFFFAOYSA-N	-1	1	436.562	3.822	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009350139	569524835	/nfs/dbraw/zinc/52/48/35/569524835.db2.gz	VXPWAKMZZHVGGY-FQEVSTJZSA-N	-1	1	432.432	3.861	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000009350139	569524836	/nfs/dbraw/zinc/52/48/36/569524836.db2.gz	VXPWAKMZZHVGGY-FQEVSTJZSA-N	-1	1	432.432	3.861	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccnc1	ZINC000013691440	524192191	/nfs/dbraw/zinc/19/21/91/524192191.db2.gz	QHEFIXORMMQLKT-MRXNPFEDSA-N	-1	1	442.884	3.686	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000715097	555548181	/nfs/dbraw/zinc/54/81/81/555548181.db2.gz	DOVAJWWOCZXUPI-INIZCTEOSA-N	-1	1	425.397	3.973	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000002480232	555783454	/nfs/dbraw/zinc/78/34/54/555783454.db2.gz	RJSMGXPFAZSOBL-MRXNPFEDSA-N	-1	1	443.506	3.708	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000015934777	556565672	/nfs/dbraw/zinc/56/56/72/556565672.db2.gz	FCOGMQCREPSROM-BLVKFPJESA-N	-1	1	433.489	3.953	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000015934777	556565674	/nfs/dbraw/zinc/56/56/74/556565674.db2.gz	FCOGMQCREPSROM-BLVKFPJESA-N	-1	1	433.489	3.953	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OCc2cccc3ccccc32)NC1=O	ZINC000016115116	556583697	/nfs/dbraw/zinc/58/36/97/556583697.db2.gz	OOUZKTFLMIGPOS-FINLKQIMSA-N	-1	1	433.489	3.815	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000017180298	556672018	/nfs/dbraw/zinc/67/20/18/556672018.db2.gz	NPLLOFTXHKTLAN-GOSISDBHSA-N	-1	1	444.281	3.892	50	30		IHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCc3nnc(-c4ccccc4)o3)c2)c1	ZINC000033307431	557086789	/nfs/dbraw/zinc/08/67/89/557086789.db2.gz	DLVLAEAJDXPQEJ-UHFFFAOYSA-N	-1	1	432.461	3.988	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccc(Br)cc1	ZINC000101062669	557219366	/nfs/dbraw/zinc/21/93/66/557219366.db2.gz	RMSYSIHUMRZURI-SELCWUDQSA-N	-1	1	436.265	3.865	50	30		IHEAMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(C)c(Br)cc1Br	ZINC000095457196	557299953	/nfs/dbraw/zinc/29/99/53/557299953.db2.gz	NHIFWKSWRAXUQF-UHFFFAOYSA-N	-1	1	445.136	3.896	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102625528	557360087	/nfs/dbraw/zinc/36/00/87/557360087.db2.gz	SNCZQBPDHKNFSW-UYTDBDHRSA-N	-1	1	439.518	3.895	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccnc2)cc1F	ZINC000102745739	557378056	/nfs/dbraw/zinc/37/80/56/557378056.db2.gz	FOKRAJGVXWDSGW-SELCWUDQSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccncc2)cc1F	ZINC000102748831	557378885	/nfs/dbraw/zinc/37/88/85/557378885.db2.gz	PVNNISWCEVUTRB-GHNGSUTGSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccncc2)cc1F	ZINC000102748831	557378888	/nfs/dbraw/zinc/37/88/88/557378888.db2.gz	PVNNISWCEVUTRB-GHNGSUTGSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102804476	557386572	/nfs/dbraw/zinc/38/65/72/557386572.db2.gz	UEIHGUPGTKCJBI-LFVOPCPISA-N	-1	1	436.395	3.535	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102798537	557388981	/nfs/dbraw/zinc/38/89/81/557388981.db2.gz	IZWWZGYBCUGTFO-IBOXJLQUSA-N	-1	1	440.412	3.520	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000102801132	557390533	/nfs/dbraw/zinc/39/05/33/557390533.db2.gz	ZZBCCMFFRXBJSD-UYTDBDHRSA-N	-1	1	425.397	3.817	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccs2)nc1C	ZINC000102863583	557403576	/nfs/dbraw/zinc/40/35/76/557403576.db2.gz	OLWMAARCGJQCMY-MRPLLJTBSA-N	-1	1	444.490	3.909	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102895959	557406478	/nfs/dbraw/zinc/40/64/78/557406478.db2.gz	ICHVKHKEWRNKHM-WOOAAIBNSA-N	-1	1	446.375	3.524	50	30		IHEAMM
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc([O-])c(O)c1)sc1c2CCCC1	ZINC000016713320	568830153	/nfs/dbraw/zinc/83/01/53/568830153.db2.gz	VAPAQHKPURWLRT-UHFFFAOYSA-N	-1	1	428.535	3.909	50	30		IHEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(=O)[N-]C1=S	ZINC000001199405	568833269	/nfs/dbraw/zinc/83/32/69/568833269.db2.gz	LAFNJOPZFQHKIS-LDADJPATSA-N	-1	1	440.496	3.616	50	30		IHEAMM
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)C(=O)[N-]C1=S	ZINC000001216695	568833526	/nfs/dbraw/zinc/83/35/26/568833526.db2.gz	DUQZIDGCDRFHLR-GXDHUFHOSA-N	-1	1	431.311	3.830	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1cccc(Cl)c1	ZINC000020309142	569359661	/nfs/dbraw/zinc/35/96/61/569359661.db2.gz	HYOGHINLAXRARV-GOSISDBHSA-N	-1	1	435.307	3.839	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008739364	569472770	/nfs/dbraw/zinc/47/27/70/569472770.db2.gz	NWUFWEVSYWQEEX-FQEVSTJZSA-N	-1	1	448.431	3.561	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccco2)nc1C	ZINC000008779351	569475533	/nfs/dbraw/zinc/47/55/33/569475533.db2.gz	GWQIPNFIHJZACH-OAHLLOKOSA-N	-1	1	442.449	3.906	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000008996461	569495832	/nfs/dbraw/zinc/49/58/32/569495832.db2.gz	ZGOKKCMEAQIERW-OAQYLSRUSA-N	-1	1	444.443	3.660	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000008996461	569495833	/nfs/dbraw/zinc/49/58/33/569495833.db2.gz	ZGOKKCMEAQIERW-OAQYLSRUSA-N	-1	1	444.443	3.660	50	30		IHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2	ZINC000013682415	521886107	/nfs/dbraw/zinc/88/61/07/521886107.db2.gz	ARAWCIZIISDDMV-IDUWFGFVSA-N	-1	1	432.270	3.699	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccs1	ZINC000012323682	524296072	/nfs/dbraw/zinc/29/60/72/524296072.db2.gz	PGEZEJNCDIWSBW-OAHLLOKOSA-N	-1	1	431.470	3.839	50	30		IHEAMM
N#Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1	ZINC000012552454	526600804	/nfs/dbraw/zinc/60/08/04/526600804.db2.gz	UAGKBKYKPPQYIE-UHFFFAOYSA-N	-1	1	449.488	3.773	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000006444687	556087823	/nfs/dbraw/zinc/08/78/23/556087823.db2.gz	ZLVIIKJFEVNFHE-KRWDZBQOSA-N	-1	1	425.441	3.777	50	30		IHEAMM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)c(Br)c1[O-]	ZINC000009311360	556279698	/nfs/dbraw/zinc/27/96/98/556279698.db2.gz	KIYDIVNWLDVBTB-YAXRCOADSA-N	-1	1	446.055	3.675	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)nc1C	ZINC000009333862	556283155	/nfs/dbraw/zinc/28/31/55/556283155.db2.gz	ZGXREWNPPLHHFW-AWEZNQCLSA-N	-1	1	428.422	3.597	50	30		IHEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000017242276	556673886	/nfs/dbraw/zinc/67/38/86/556673886.db2.gz	CONXEQMKKDQRLS-INIZCTEOSA-N	-1	1	427.526	3.710	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000020101405	556980342	/nfs/dbraw/zinc/98/03/42/556980342.db2.gz	XIFZHTPMZDKPPS-FQEVSTJZSA-N	-1	1	438.436	3.818	50	30		IHEAMM
CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2cccc(F)c2[O-])C1=O	ZINC000101728175	557296262	/nfs/dbraw/zinc/29/62/62/557296262.db2.gz	JYZJQHAIYJLZRH-XNTDXEJSSA-N	-1	1	430.413	3.983	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1OC	ZINC000102528800	557354357	/nfs/dbraw/zinc/35/43/57/557354357.db2.gz	NNKHHFHJKGDMKS-YDJIHCHBSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102704793	557366073	/nfs/dbraw/zinc/36/60/73/557366073.db2.gz	VYMFTDWYBAIULR-JBCNATCCSA-N	-1	1	434.448	3.935	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1C	ZINC000102713968	557374578	/nfs/dbraw/zinc/37/45/78/557374578.db2.gz	GAMNJDUIVKWXCQ-JBCNATCCSA-N	-1	1	434.448	3.935	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102718421	557375318	/nfs/dbraw/zinc/37/53/18/557375318.db2.gz	PRQHVZVXLTYHEP-LFVOPCPISA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102803673	557386022	/nfs/dbraw/zinc/38/60/22/557386022.db2.gz	ABEHDASLHVGOOC-NHFXJNLRSA-N	-1	1	449.419	3.835	50	30		IHEAMM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102868107	557404565	/nfs/dbraw/zinc/40/45/65/557404565.db2.gz	FACGEVDQAJXUKB-WOOAAIBNSA-N	-1	1	434.473	3.849	50	30		IHEAMM
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102868107	557404568	/nfs/dbraw/zinc/40/45/68/557404568.db2.gz	FACGEVDQAJXUKB-WOOAAIBNSA-N	-1	1	434.473	3.849	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102868202	557404818	/nfs/dbraw/zinc/40/48/18/557404818.db2.gz	FPCNXUNSLVMWRO-YDJIHCHBSA-N	-1	1	434.448	3.935	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1	ZINC000086056980	568642214	/nfs/dbraw/zinc/64/22/14/568642214.db2.gz	SAVFAMGQKKFUJY-IBGZPJMESA-N	-1	1	431.517	3.857	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000000959804	568646417	/nfs/dbraw/zinc/64/64/17/568646417.db2.gz	OOSBQAYFWDPXFF-INIZCTEOSA-N	-1	1	425.510	3.811	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@H]1c1cccc(OC)c1	ZINC000009569625	568819033	/nfs/dbraw/zinc/81/90/33/568819033.db2.gz	KWWJGDRBSBPUDA-KRWDZBQOSA-N	-1	1	425.510	3.617	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000102663861	568888051	/nfs/dbraw/zinc/88/80/51/568888051.db2.gz	LTMRDIPFPMGEOS-QJGVGSKSSA-N	-1	1	433.489	3.796	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000102663861	568888052	/nfs/dbraw/zinc/88/80/52/568888052.db2.gz	LTMRDIPFPMGEOS-QJGVGSKSSA-N	-1	1	433.489	3.796	50	30		IHEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c([O-])c1	ZINC000020309617	569359855	/nfs/dbraw/zinc/35/98/55/569359855.db2.gz	IDNPQEOMYDTPMY-JOCHJYFZSA-N	-1	1	438.524	3.664	50	30		IHEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1	ZINC000002501953	569406109	/nfs/dbraw/zinc/40/61/09/569406109.db2.gz	HFXRBBLBOOGOJX-GOSISDBHSA-N	-1	1	444.281	3.811	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000008996460	569495801	/nfs/dbraw/zinc/49/58/01/569495801.db2.gz	ZGOKKCMEAQIERW-NRFANRHFSA-N	-1	1	444.443	3.660	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000008996460	569495802	/nfs/dbraw/zinc/49/58/02/569495802.db2.gz	ZGOKKCMEAQIERW-NRFANRHFSA-N	-1	1	444.443	3.660	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008996615	569495830	/nfs/dbraw/zinc/49/58/30/569495830.db2.gz	MTFUFKZPQREKEP-HXUWFJFHSA-N	-1	1	438.411	3.922	50	30		IHEAMM
C[C@@]1(c2ccc(OC(F)F)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O	ZINC000009789296	569568142	/nfs/dbraw/zinc/56/81/42/569568142.db2.gz	QATBYIQSTQRJNG-SFHVURJKSA-N	-1	1	436.283	3.951	50	30		IHEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000008742790	556207745	/nfs/dbraw/zinc/20/77/45/556207745.db2.gz	VJQLZSSQEGZCJN-GOSISDBHSA-N	-1	1	437.477	3.734	50	30		IHEAMM
CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000008914969	556232111	/nfs/dbraw/zinc/23/21/11/556232111.db2.gz	OPGFEKQPAUTTQR-SFHVURJKSA-N	-1	1	426.450	3.932	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccco2)nc1C	ZINC000009301884	556275950	/nfs/dbraw/zinc/27/59/50/556275950.db2.gz	NFHRMUIDZHDANV-HNNXBMFYSA-N	-1	1	442.424	3.753	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009334463	556283130	/nfs/dbraw/zinc/28/31/30/556283130.db2.gz	OLDRPWLLFDPSIM-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009334463	556283135	/nfs/dbraw/zinc/28/31/35/556283135.db2.gz	OLDRPWLLFDPSIM-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000017242271	556673921	/nfs/dbraw/zinc/67/39/21/556673921.db2.gz	CONXEQMKKDQRLS-MRXNPFEDSA-N	-1	1	427.526	3.710	50	30		IHEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccncc2)cc1F	ZINC000102748829	557378821	/nfs/dbraw/zinc/37/88/21/557378821.db2.gz	PVNNISWCEVUTRB-SELCWUDQSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccncc2)cc1F	ZINC000102748829	557378826	/nfs/dbraw/zinc/37/88/26/557378826.db2.gz	PVNNISWCEVUTRB-SELCWUDQSA-N	-1	1	439.468	3.929	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccs2)nc1C	ZINC000102863579	557403619	/nfs/dbraw/zinc/40/36/19/557403619.db2.gz	OLWMAARCGJQCMY-SXWSKBOKSA-N	-1	1	444.490	3.909	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1c1cccc(F)c1	ZINC000020309345	569359616	/nfs/dbraw/zinc/35/96/16/569359616.db2.gz	OECGIWLYYFGKPW-NRFANRHFSA-N	-1	1	434.467	3.824	50	30		IHEAMM
COc1ccc(-c2nnc(S/C(=N/[N-]c3ccccc3[N+](=O)[O-])C(C)=O)n2C)cc1	ZINC000008836607	569478122	/nfs/dbraw/zinc/47/81/22/569478122.db2.gz	RPIHBRDNDOTGRV-RELWKKBWSA-N	-1	1	426.458	3.506	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccc(F)c1	ZINC000013690346	524296736	/nfs/dbraw/zinc/29/67/36/524296736.db2.gz	AJSVMNHVABCCEI-KRWDZBQOSA-N	-1	1	443.431	3.916	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000013387775	527578810	/nfs/dbraw/zinc/57/88/10/527578810.db2.gz	KBMHPUSNMCJDST-NRFANRHFSA-N	-1	1	437.448	3.639	50	30		IHEAMM
O=C(Nc1ccccc1O)C([O-])=C(C(=O)c1ccccc1)c1nc2ccccc2[nH]c1=O	ZINC000002333444	555769481	/nfs/dbraw/zinc/76/94/81/555769481.db2.gz	RSANZJCCELQXGP-FMQUCBEESA-N	-1	1	427.416	3.751	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008743838	556208157	/nfs/dbraw/zinc/20/81/57/556208157.db2.gz	CNQZLKFXYZUREI-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008743838	556208159	/nfs/dbraw/zinc/20/81/59/556208159.db2.gz	CNQZLKFXYZUREI-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Br)cc2)no1	ZINC000101069977	557223740	/nfs/dbraw/zinc/22/37/40/557223740.db2.gz	PALFAWMBPODHET-UYTDBDHRSA-N	-1	1	429.226	3.965	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccco2)nc1C	ZINC000009274348	562968768	/nfs/dbraw/zinc/96/87/68/562968768.db2.gz	VNNRHPIKLZWVGW-INIZCTEOSA-N	-1	1	438.461	3.922	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccco2)nc1C	ZINC000009274348	562968770	/nfs/dbraw/zinc/96/87/70/562968770.db2.gz	VNNRHPIKLZWVGW-INIZCTEOSA-N	-1	1	438.461	3.922	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000001451142	568818610	/nfs/dbraw/zinc/81/86/10/568818610.db2.gz	IBZCEGSEWHPBCP-LJQANCHMSA-N	-1	1	435.392	3.683	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000017180072	568828651	/nfs/dbraw/zinc/82/86/51/568828651.db2.gz	TTZHPZAWMLJFIC-INIZCTEOSA-N	-1	1	440.412	3.677	50	30		IHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000006143645	568845907	/nfs/dbraw/zinc/84/59/07/568845907.db2.gz	QJBQGZMUKCYEHF-KRWDZBQOSA-N	-1	1	427.526	3.854	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009174053	569509629	/nfs/dbraw/zinc/50/96/29/569509629.db2.gz	GIQMWQAOWAYPCM-VZCCSQPZSA-N	-1	1	444.827	3.535	50	30		IHEAMM
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccc(Cl)c4)CC3)c2c1	ZINC000040267240	526474245	/nfs/dbraw/zinc/47/42/45/526474245.db2.gz	GBCGCMQGIFOCNS-JOCHJYFZSA-N	-1	1	438.915	3.667	50	30		IHEAMM
N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(Cl)c3ccccc3c2[O-])CC1	ZINC000021869146	526749225	/nfs/dbraw/zinc/74/92/25/526749225.db2.gz	MPDKTANKLXMNRH-UHFFFAOYSA-N	-1	1	441.940	3.577	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OCc2cccc3ccccc32)NC1=O	ZINC000016115114	527631860	/nfs/dbraw/zinc/63/18/60/527631860.db2.gz	OOUZKTFLMIGPOS-AFEQLLIESA-N	-1	1	433.489	3.815	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000000624373	555511665	/nfs/dbraw/zinc/51/16/65/555511665.db2.gz	HKDLXRAJPWSUJA-SFHVURJKSA-N	-1	1	437.477	3.647	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000006143924	556077762	/nfs/dbraw/zinc/07/77/62/556077762.db2.gz	QIVWIEYVPOWUPR-QGZVFWFLSA-N	-1	1	436.449	3.846	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000008914797	556232021	/nfs/dbraw/zinc/23/20/21/556232021.db2.gz	ULYSWCGRMJCIMG-KRWDZBQOSA-N	-1	1	425.441	3.777	50	30		IHEAMM
N#CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000016275471	556596335	/nfs/dbraw/zinc/59/63/35/556596335.db2.gz	ZZBOGZLYKYBRJV-DAFODLJHSA-N	-1	1	448.479	3.924	50	30		IHEAMM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000016807807	556644692	/nfs/dbraw/zinc/64/46/92/556644692.db2.gz	VDZOGMQZFIKJQK-BLVKFPJESA-N	-1	1	434.473	3.955	50	30		IHEAMM
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000016807807	556644694	/nfs/dbraw/zinc/64/46/94/556644694.db2.gz	VDZOGMQZFIKJQK-BLVKFPJESA-N	-1	1	434.473	3.955	50	30		IHEAMM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000016807809	556644736	/nfs/dbraw/zinc/64/47/36/556644736.db2.gz	VDZOGMQZFIKJQK-BUXKBTBVSA-N	-1	1	434.473	3.955	50	30		IHEAMM
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000016807809	556644737	/nfs/dbraw/zinc/64/47/37/556644737.db2.gz	VDZOGMQZFIKJQK-BUXKBTBVSA-N	-1	1	434.473	3.955	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000020057184	556974990	/nfs/dbraw/zinc/97/49/90/556974990.db2.gz	RMDGNZFPKZPABY-GOSISDBHSA-N	-1	1	444.827	3.691	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000020057183	556975061	/nfs/dbraw/zinc/97/50/61/556975061.db2.gz	RMDGNZFPKZPABY-SFHVURJKSA-N	-1	1	444.827	3.691	50	30		IHEAMM
C=CCNC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2o1	ZINC000017657023	557105556	/nfs/dbraw/zinc/10/55/56/557105556.db2.gz	USCWJPMHVQGSBM-UHFFFAOYSA-N	-1	1	437.930	3.676	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009271628	557141695	/nfs/dbraw/zinc/14/16/95/557141695.db2.gz	TTZHPZAWMLJFIC-MRXNPFEDSA-N	-1	1	440.412	3.677	50	30		IHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Br)cc2)o1	ZINC000101069870	557223307	/nfs/dbraw/zinc/22/33/07/557223307.db2.gz	YQCTWRHSFARBKJ-UYTDBDHRSA-N	-1	1	440.253	3.767	50	30		IHEAMM
COc1ccc(-n2c([O-])c(C=Nc3ccc(Nc4ccccc4)cc3)c(=O)[nH]c2=O)cc1	ZINC000101649237	557293528	/nfs/dbraw/zinc/29/35/28/557293528.db2.gz	MNFLAFGDTSAMJR-MFKUBSTISA-N	-1	1	428.448	3.734	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102625523	557360120	/nfs/dbraw/zinc/36/01/20/557360120.db2.gz	SNCZQBPDHKNFSW-IBOXJLQUSA-N	-1	1	439.518	3.895	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2)nc1C	ZINC000102725566	557369592	/nfs/dbraw/zinc/36/95/92/557369592.db2.gz	NBUBRDFIBOXNLY-IBOXJLQUSA-N	-1	1	438.461	3.766	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2)nc1C	ZINC000102725566	557369595	/nfs/dbraw/zinc/36/95/95/557369595.db2.gz	NBUBRDFIBOXNLY-IBOXJLQUSA-N	-1	1	438.461	3.766	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102805123	557386944	/nfs/dbraw/zinc/38/69/44/557386944.db2.gz	YUKGKCXZWSEEKS-HVESIFNPSA-N	-1	1	425.441	3.621	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000102797692	557389024	/nfs/dbraw/zinc/38/90/24/557389024.db2.gz	ZVFGEYDMNBGGNG-YDJIHCHBSA-N	-1	1	432.407	3.634	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102866192	557404327	/nfs/dbraw/zinc/40/43/27/557404327.db2.gz	CURLYDSYIUTRAQ-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102866192	557404330	/nfs/dbraw/zinc/40/43/30/557404330.db2.gz	CURLYDSYIUTRAQ-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)o2)nc1C	ZINC000009008721	562966629	/nfs/dbraw/zinc/96/66/29/562966629.db2.gz	YJOSUQLKNFAYFW-HNNXBMFYSA-N	-1	1	442.449	3.906	50	30		IHEAMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1OCc1ccc(C)cc1	ZINC000001124797	568661311	/nfs/dbraw/zinc/66/13/11/568661311.db2.gz	VNUKCDMZOASYJE-UHFFFAOYSA-N	-1	1	436.533	3.616	50	30		IHEAMM
C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000027528308	569263605	/nfs/dbraw/zinc/26/36/05/569263605.db2.gz	FPILBEXUMZVAQH-UHFFFAOYSA-N	-1	1	438.505	3.636	50	30		IHEAMM
C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000027528308	569263606	/nfs/dbraw/zinc/26/36/06/569263606.db2.gz	FPILBEXUMZVAQH-UHFFFAOYSA-N	-1	1	438.505	3.636	50	30		IHEAMM
C=CCc1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000027528308	569263607	/nfs/dbraw/zinc/26/36/07/569263607.db2.gz	FPILBEXUMZVAQH-UHFFFAOYSA-N	-1	1	438.505	3.636	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309362	569359629	/nfs/dbraw/zinc/35/96/29/569359629.db2.gz	NEAGWKQVPJHFAI-JOCHJYFZSA-N	-1	1	446.503	3.694	50	30		IHEAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC#Cc3ccccc3)cc2)cc1	ZINC000008705746	569470428	/nfs/dbraw/zinc/47/04/28/569470428.db2.gz	IILLYUNQPFSFQB-UHFFFAOYSA-N	-1	1	434.517	3.668	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000008739110	569472777	/nfs/dbraw/zinc/47/27/77/569472777.db2.gz	FYXLOQMDGWDNBG-HXUWFJFHSA-N	-1	1	449.419	3.991	50	30		IHEAMM
COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Br)c1OCC(=O)[O-]	ZINC000009310302	569521733	/nfs/dbraw/zinc/52/17/33/569521733.db2.gz	LXBFAWVWDBEFIE-UFWORHAWSA-N	-1	1	436.287	3.977	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009350140	569524795	/nfs/dbraw/zinc/52/47/95/569524795.db2.gz	VXPWAKMZZHVGGY-HXUWFJFHSA-N	-1	1	432.432	3.861	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000009350140	569524796	/nfs/dbraw/zinc/52/47/96/569524796.db2.gz	VXPWAKMZZHVGGY-HXUWFJFHSA-N	-1	1	432.432	3.861	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccs1	ZINC000012323683	524295786	/nfs/dbraw/zinc/29/57/86/524295786.db2.gz	PGEZEJNCDIWSBW-HNNXBMFYSA-N	-1	1	431.470	3.839	50	30		IHEAMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)CS(=O)(=O)C/C1=C/c1ccc(O)c(Cl)c1	ZINC000096035409	526946844	/nfs/dbraw/zinc/94/68/44/526946844.db2.gz	BXXSCFHSWMVOPX-GFIWHYBVSA-N	-1	1	425.289	3.869	50	30		IHEAMM
COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000000959785	555591005	/nfs/dbraw/zinc/59/10/05/555591005.db2.gz	SHQYVQDBKJLVSX-MRXNPFEDSA-N	-1	1	427.526	3.710	50	30		IHEAMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1	ZINC000002995089	556156143	/nfs/dbraw/zinc/15/61/43/556156143.db2.gz	GUJBKFAYCVLUBA-XSFVSMFZSA-N	-1	1	448.544	3.815	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccco2)nc1C	ZINC000008779354	556214353	/nfs/dbraw/zinc/21/43/53/556214353.db2.gz	VEFORPUHRAKRTO-AWEZNQCLSA-N	-1	1	428.422	3.515	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009008999	556240518	/nfs/dbraw/zinc/24/05/18/556240518.db2.gz	JIBLFLHUHHBGPX-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009008999	556240520	/nfs/dbraw/zinc/24/05/20/556240520.db2.gz	JIBLFLHUHHBGPX-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1OC	ZINC000013730438	556720490	/nfs/dbraw/zinc/72/04/90/556720490.db2.gz	CQVGINYIDJXRLL-OAHLLOKOSA-N	-1	1	443.506	3.708	50	30		IHEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/n2c(C)nc3ccccc3c2=O)cc1	ZINC000334160444	556836704	/nfs/dbraw/zinc/83/67/04/556836704.db2.gz	DYDXMIZKDXWQKU-BUVRLJJBSA-N	-1	1	432.505	3.696	50	30		IHEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1=O	ZINC000101239067	557264690	/nfs/dbraw/zinc/26/46/90/557264690.db2.gz	VUGXZPAVVFLVGE-LJQANCHMSA-N	-1	1	449.488	3.515	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102727535	557370295	/nfs/dbraw/zinc/37/02/95/557370295.db2.gz	IMCOGKJYAOTPEL-YDJIHCHBSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccs1	ZINC000102752726	557383441	/nfs/dbraw/zinc/38/34/41/557383441.db2.gz	PWUWHPYCJHYJJW-DPEHCCBOSA-N	-1	1	431.470	3.682	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102803538	557385604	/nfs/dbraw/zinc/38/56/04/557385604.db2.gz	NGZCRZJDNXZSLF-SELCWUDQSA-N	-1	1	426.450	3.688	50	30		IHEAMM
CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102804394	557386480	/nfs/dbraw/zinc/38/64/80/557386480.db2.gz	MGFKWKXTWZFXSF-GHNGSUTGSA-N	-1	1	426.450	3.775	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102805120	557386778	/nfs/dbraw/zinc/38/67/78/557386778.db2.gz	YUKGKCXZWSEEKS-GROYHEBESA-N	-1	1	425.441	3.621	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000102927102	557410307	/nfs/dbraw/zinc/41/03/07/557410307.db2.gz	ZHIYJWZUJFXXRQ-NHFXJNLRSA-N	-1	1	438.436	3.662	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000000934470	568638719	/nfs/dbraw/zinc/63/87/19/568638719.db2.gz	GKFJBBAIPBNTIL-MRXNPFEDSA-N	-1	1	425.397	3.973	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1	ZINC000086057219	568642546	/nfs/dbraw/zinc/64/25/46/568642546.db2.gz	LARUUZGGEODETR-LJQANCHMSA-N	-1	1	431.517	3.857	50	30		IHEAMM
C=CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C(=O)[N-]C1=S	ZINC000001097390	568658887	/nfs/dbraw/zinc/65/88/87/568658887.db2.gz	QNTJWRPEJSSKNY-BKUYFWCQSA-N	-1	1	440.528	3.682	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@H]1c1ccc(OC)cc1	ZINC000100951229	568803605	/nfs/dbraw/zinc/80/36/05/568803605.db2.gz	SRQSEQBQWUEVTE-KRWDZBQOSA-N	-1	1	427.526	3.841	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1	ZINC000006244981	568881003	/nfs/dbraw/zinc/88/10/03/568881003.db2.gz	JANMYBLABDRLED-NRFANRHFSA-N	-1	1	428.444	3.960	50	30		IHEAMM
N#C[C@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3	ZINC000170595890	569141542	/nfs/dbraw/zinc/14/15/42/569141542.db2.gz	XOKRKBGVOIKJTE-OAHLLOKOSA-N	-1	1	439.924	3.871	50	30		IHEAMM
N#C[C@@H](C(=O)Cc1cc(Cl)cc2c1OCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3	ZINC000170595891	569141562	/nfs/dbraw/zinc/14/15/62/569141562.db2.gz	XOKRKBGVOIKJTE-HNNXBMFYSA-N	-1	1	439.924	3.871	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@H]1c1ccccc1F	ZINC000020309367	569359563	/nfs/dbraw/zinc/35/95/63/569359563.db2.gz	ZEUALHBEVUVLNB-OAQYLSRUSA-N	-1	1	434.467	3.824	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000008827820	569477721	/nfs/dbraw/zinc/47/77/21/569477721.db2.gz	DGMLURJGNIXRAB-KRWDZBQOSA-N	-1	1	426.450	3.845	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000009339982	569523781	/nfs/dbraw/zinc/52/37/81/569523781.db2.gz	XDQYDMRTAFCGIE-GHNGSUTGSA-N	-1	1	444.827	3.535	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000009451506	569536400	/nfs/dbraw/zinc/53/64/00/569536400.db2.gz	MGNIYAGECNPHJL-OAHLLOKOSA-N	-1	1	443.506	3.953	50	30		IHEAMM
C=CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21	ZINC000046017730	519165407	/nfs/dbraw/zinc/16/54/07/519165407.db2.gz	WJSQLWGIRPEFKI-UHFFFAOYSA-N	-1	1	425.329	3.812	50	30		IHEAMM
CCOC(=O)c1sc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c(C(=O)OCC)c1C	ZINC000012625458	521610693	/nfs/dbraw/zinc/61/06/93/521610693.db2.gz	SPIFMLCZIUMZCL-CJLVFECKSA-N	-1	1	442.497	3.601	50	30		IHEAMM
COC(=O)c1cccc(C#Cc2cccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c1	ZINC000012631428	522190195	/nfs/dbraw/zinc/19/01/95/522190195.db2.gz	IQDYCZUOTQWUCT-UHFFFAOYSA-N	-1	1	448.500	3.632	50	30		IHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779326	556641034	/nfs/dbraw/zinc/64/10/34/556641034.db2.gz	VEUSKZRMDWZUKH-KRWDZBQOSA-N	-1	1	437.521	3.977	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101100252	557255305	/nfs/dbraw/zinc/25/53/05/557255305.db2.gz	GEQAJIAIEGEVPI-GROYHEBESA-N	-1	1	436.265	3.865	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)o2)nc1C	ZINC000102697616	557365109	/nfs/dbraw/zinc/36/51/09/557365109.db2.gz	GWXMCDNACKKWGB-SXWSKBOKSA-N	-1	1	444.490	3.827	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccco2)nc1C	ZINC000102699809	557365358	/nfs/dbraw/zinc/36/53/58/557365358.db2.gz	LAVBPFPJMWXLMY-DPEHCCBOSA-N	-1	1	442.449	3.749	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102805462	557386936	/nfs/dbraw/zinc/38/69/36/557386936.db2.gz	DIQXLDUUXWGCHI-YDJIHCHBSA-N	-1	1	449.419	3.835	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000000959789	568646462	/nfs/dbraw/zinc/64/64/62/568646462.db2.gz	DLBJIFXLGUARDF-OAHLLOKOSA-N	-1	1	426.498	3.991	50	30		IHEAMM
COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OCc1ccc(Br)cc1	ZINC000006143391	568845596	/nfs/dbraw/zinc/84/55/96/568845596.db2.gz	YCEZRWFOTAZJPN-SSDVNMTOSA-N	-1	1	443.301	3.874	50	30		IHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2	ZINC000006143643	568845843	/nfs/dbraw/zinc/84/58/43/568845843.db2.gz	CGWKALHZGXSYNQ-KRWDZBQOSA-N	-1	1	427.526	3.854	50	30		IHEAMM
Cc1cc(=O)n2[n-]c(NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)nc2n1	ZINC000328595033	569317709	/nfs/dbraw/zinc/31/77/09/569317709.db2.gz	IXFPYNNQJFAOMW-DCJJRUGTSA-N	-1	1	426.521	3.512	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009353888	569525006	/nfs/dbraw/zinc/52/50/06/569525006.db2.gz	YHIXNVSHAAARMU-GHNGSUTGSA-N	-1	1	444.827	3.535	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1OC	ZINC000009374443	569527081	/nfs/dbraw/zinc/52/70/81/569527081.db2.gz	FXBNILXOTXTSPW-HXUWFJFHSA-N	-1	1	438.411	3.922	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000001153670	555657774	/nfs/dbraw/zinc/65/77/74/555657774.db2.gz	HLMZHMFBDWDLBO-QGZVFWFLSA-N	-1	1	436.811	3.821	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000008740896	556206686	/nfs/dbraw/zinc/20/66/86/556206686.db2.gz	QKGRQAJEKWBKNC-IBGZPJMESA-N	-1	1	435.392	3.683	50	30		IHEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000008743930	556208497	/nfs/dbraw/zinc/20/84/97/556208497.db2.gz	OQCJTNWVCDFNLX-QGZVFWFLSA-N	-1	1	441.440	3.564	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000009110639	556247838	/nfs/dbraw/zinc/24/78/38/556247838.db2.gz	QFXQYWNAVVVEIE-QGZVFWFLSA-N	-1	1	437.433	3.843	50	30		IHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779324	556641075	/nfs/dbraw/zinc/64/10/75/556641075.db2.gz	VEUSKZRMDWZUKH-QGZVFWFLSA-N	-1	1	437.521	3.977	50	30		IHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000017268869	557048068	/nfs/dbraw/zinc/04/80/68/557048068.db2.gz	MBHSXBNWLBGUBS-GTNSWQLSSA-N	-1	1	425.510	3.954	50	30		IHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000017268864	557048176	/nfs/dbraw/zinc/04/81/76/557048176.db2.gz	MBHSXBNWLBGUBS-DIFFPNOSSA-N	-1	1	425.510	3.954	50	30		IHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Br)c2)no1	ZINC000101100257	557255268	/nfs/dbraw/zinc/25/52/68/557255268.db2.gz	DGKVMYRAFJTVKA-UYTDBDHRSA-N	-1	1	429.226	3.965	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000102750076	557379202	/nfs/dbraw/zinc/37/92/02/557379202.db2.gz	STNUTQNASPGGRB-IBOXJLQUSA-N	-1	1	443.506	3.552	50	30		IHEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102887002	557409643	/nfs/dbraw/zinc/40/96/43/557409643.db2.gz	ZHOKZSISARBYMS-NHFXJNLRSA-N	-1	1	438.436	3.918	50	30		IHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccc(N2CCOCC2)cc1	ZINC000044973919	557541970	/nfs/dbraw/zinc/54/19/70/557541970.db2.gz	DRJAWUCXYNISSL-QGZVFWFLSA-N	-1	1	438.553	3.882	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1	ZINC000086057092	568642359	/nfs/dbraw/zinc/64/23/59/568642359.db2.gz	CNGJNTFXNWDLKS-LJQANCHMSA-N	-1	1	431.517	3.857	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001450495	568818105	/nfs/dbraw/zinc/81/81/05/568818105.db2.gz	BPFHSQWPXXLMDV-LJQANCHMSA-N	-1	1	435.392	3.683	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Br)cc2)s1	ZINC000001167624	568838124	/nfs/dbraw/zinc/83/81/24/568838124.db2.gz	WBXGRUZNBGCYCI-CQSZACIVSA-N	-1	1	446.282	3.985	50	30		IHEAMM
Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc2n1Cc1ccccc1C#N	ZINC000009235475	569294626	/nfs/dbraw/zinc/29/46/26/569294626.db2.gz	JNFCXGWGGZTRMA-ZHACJKMWSA-N	-1	1	427.420	3.737	50	30		IHEAMM
[O-]C(c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)o1)(C(F)(F)F)C(F)(F)F	ZINC000008397433	569463262	/nfs/dbraw/zinc/46/32/62/569463262.db2.gz	DDSUUHGMLNNNIR-UHFFFAOYSA-N	-1	1	430.141	3.826	50	30		IHEAMM
CCCCn1c([O-])c(C(=O)C=Cc2cn(Cc3ccccc3)c3ccccc23)c(=O)[nH]c1=O	ZINC000009347761	569524317	/nfs/dbraw/zinc/52/43/17/569524317.db2.gz	LKEWOVZKQVQMGF-BUHFOSPRSA-N	-1	1	443.503	3.941	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000009446666	569535922	/nfs/dbraw/zinc/53/59/22/569535922.db2.gz	OOHYCPFCUWIZOQ-OAHLLOKOSA-N	-1	1	443.506	3.953	50	30		IHEAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccc(F)cc1	ZINC000009493903	569540828	/nfs/dbraw/zinc/54/08/28/569540828.db2.gz	MOLMRIPPTLIQLP-UHFFFAOYSA-N	-1	1	445.497	3.607	50	30		IHEAMM
C[C@]1(c2ccc(OC(F)F)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O	ZINC000009789297	569568146	/nfs/dbraw/zinc/56/81/46/569568146.db2.gz	QATBYIQSTQRJNG-GOSISDBHSA-N	-1	1	436.283	3.951	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000009991405	569576876	/nfs/dbraw/zinc/57/68/76/569576876.db2.gz	SWEBWCGHJTXKEF-SFHVURJKSA-N	-1	1	437.477	3.647	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000013570543	523565518	/nfs/dbraw/zinc/56/55/18/523565518.db2.gz	BRZIYNQIZLMQKJ-FQEVSTJZSA-N	-1	1	449.419	3.991	50	30		IHEAMM
N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1	ZINC000012605871	526484094	/nfs/dbraw/zinc/48/40/94/526484094.db2.gz	OMTGIOIBVLQOTC-UHFFFAOYSA-N	-1	1	435.461	3.534	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000001153669	555657414	/nfs/dbraw/zinc/65/74/14/555657414.db2.gz	HLMZHMFBDWDLBO-KRWDZBQOSA-N	-1	1	436.811	3.821	50	30		IHEAMM
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc(I)cc2)cc1	ZINC000101355182	557275344	/nfs/dbraw/zinc/27/53/44/557275344.db2.gz	KFPUAIMPGJMMIS-BOPFTXTBSA-N	-1	1	437.233	3.953	50	30		IHEAMM
CCCC(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O	ZINC000101878378	557304377	/nfs/dbraw/zinc/30/43/77/557304377.db2.gz	AVMRIMVXGYLEQF-UHFFFAOYSA-N	-1	1	440.507	3.522	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000102512403	557350099	/nfs/dbraw/zinc/35/00/99/557350099.db2.gz	IDMOOUSEWBNUML-GHNGSUTGSA-N	-1	1	444.281	3.736	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F	ZINC000102742888	557376700	/nfs/dbraw/zinc/37/67/00/557376700.db2.gz	TVYNBVODSQBENW-SELCWUDQSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000102750077	557379087	/nfs/dbraw/zinc/37/90/87/557379087.db2.gz	STNUTQNASPGGRB-UYTDBDHRSA-N	-1	1	443.506	3.552	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102803675	557386017	/nfs/dbraw/zinc/38/60/17/557386017.db2.gz	ABEHDASLHVGOOC-YDJIHCHBSA-N	-1	1	449.419	3.835	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000009124038	562967378	/nfs/dbraw/zinc/96/73/78/562967378.db2.gz	PJHWKXCJFRNXOK-SFHVURJKSA-N	-1	1	438.436	3.836	50	30		IHEAMM
COC(=O)C[C@@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2	ZINC000524730837	569126220	/nfs/dbraw/zinc/12/62/20/569126220.db2.gz	YYVVDFJGEUOZAV-SOFYTKRASA-N	-1	1	445.427	3.827	50	30	biogenic	IHEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000027571677	569273714	/nfs/dbraw/zinc/27/37/14/569273714.db2.gz	SAMNQULNVYNKIF-NRFANRHFSA-N	-1	1	439.464	3.537	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccco2)nc1C	ZINC000008779352	569475536	/nfs/dbraw/zinc/47/55/36/569475536.db2.gz	GWQIPNFIHJZACH-HNNXBMFYSA-N	-1	1	442.449	3.906	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009174049	569509648	/nfs/dbraw/zinc/50/96/48/569509648.db2.gz	GIQMWQAOWAYPCM-LYHOESIGSA-N	-1	1	444.827	3.535	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000009243424	569514938	/nfs/dbraw/zinc/51/49/38/569514938.db2.gz	DHBBNIDFLADKAI-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000009243424	569514939	/nfs/dbraw/zinc/51/49/39/569514939.db2.gz	DHBBNIDFLADKAI-HXUWFJFHSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc([O-])c(C(=O)c2cnc(NC(=N)Nc3cc(Cl)cc(Cl)c3)nc2)c1	ZINC000012633316	524732458	/nfs/dbraw/zinc/73/24/58/524732458.db2.gz	HFXUNELZKNWPON-UHFFFAOYSA-N	-1	1	432.267	3.787	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000015934778	556565694	/nfs/dbraw/zinc/56/56/94/556565694.db2.gz	FCOGMQCREPSROM-BUXKBTBVSA-N	-1	1	433.489	3.953	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000015934778	556565696	/nfs/dbraw/zinc/56/56/96/556565696.db2.gz	FCOGMQCREPSROM-BUXKBTBVSA-N	-1	1	433.489	3.953	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3cccc4ccccc43)cc2)NC1=O	ZINC000016115383	556583921	/nfs/dbraw/zinc/58/39/21/556583921.db2.gz	LAOVFDAOEUMTBO-FINLKQIMSA-N	-1	1	433.489	3.815	50	30		IHEAMM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)c(C)c1C	ZINC000016152929	556585736	/nfs/dbraw/zinc/58/57/36/556585736.db2.gz	TYEOUHAAVNNLPM-UHFFFAOYSA-N	-1	1	449.598	3.500	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000102512412	557350339	/nfs/dbraw/zinc/35/03/39/557350339.db2.gz	IDMOOUSEWBNUML-SELCWUDQSA-N	-1	1	444.281	3.736	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102702122	557365714	/nfs/dbraw/zinc/36/57/14/557365714.db2.gz	HXIJDILNMOHWEP-HVESIFNPSA-N	-1	1	426.450	3.688	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccco2)nc1C	ZINC000102702033	557365746	/nfs/dbraw/zinc/36/57/46/557365746.db2.gz	FVQGAQNUMSHBFL-MRPLLJTBSA-N	-1	1	444.490	3.909	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1Cl	ZINC000102714104	557374492	/nfs/dbraw/zinc/37/44/92/557374492.db2.gz	ZDTNNXVZXVNWJR-WOOAAIBNSA-N	-1	1	440.839	3.977	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102878922	557407086	/nfs/dbraw/zinc/40/70/86/557407086.db2.gz	TYALCQSCPYLKAP-MOBKVPTQSA-N	-1	1	446.459	3.734	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(OC)c2OC)c1	ZINC000009242344	562968401	/nfs/dbraw/zinc/96/84/01/562968401.db2.gz	HGLSHLFWZMAUEZ-NRFANRHFSA-N	-1	1	446.459	3.890	50	30		IHEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(=O)[N-]C1=S	ZINC000001153037	568833475	/nfs/dbraw/zinc/83/34/75/568833475.db2.gz	KEDPAUDBRYELEF-PTNGSMBKSA-N	-1	1	433.455	3.926	50	30		IHEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(Br)cc2)cc1	ZINC000002501952	569406116	/nfs/dbraw/zinc/40/61/16/569406116.db2.gz	HFXRBBLBOOGOJX-SFHVURJKSA-N	-1	1	444.281	3.811	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000008739109	569472797	/nfs/dbraw/zinc/47/27/97/569472797.db2.gz	FYXLOQMDGWDNBG-FQEVSTJZSA-N	-1	1	449.419	3.991	50	30		IHEAMM
CCOC(=O)C(Sc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N)=C(C)[O-]	ZINC000009420362	569532674	/nfs/dbraw/zinc/53/26/74/569532674.db2.gz	XAOWGYDASOUFGS-CQSZACIVSA-N	-1	1	442.440	3.877	50	30		IHEAMM
C=CCn1cnnc1Sc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-]	ZINC000012560832	519287626	/nfs/dbraw/zinc/28/76/26/519287626.db2.gz	POASLEACDMRZSF-UHFFFAOYSA-N	-1	1	445.526	3.941	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008914700	525391944	/nfs/dbraw/zinc/39/19/44/525391944.db2.gz	KNHTVKFAZOVBHJ-SFHVURJKSA-N	-1	1	426.450	3.845	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000102927100	527579326	/nfs/dbraw/zinc/57/93/26/527579326.db2.gz	ZHIYJWZUJFXXRQ-YDJIHCHBSA-N	-1	1	438.436	3.662	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000009123728	556248229	/nfs/dbraw/zinc/24/82/29/556248229.db2.gz	AOCLUJODJFGZMW-INIZCTEOSA-N	-1	1	425.397	3.973	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccco2)nc1C	ZINC000009301883	556275791	/nfs/dbraw/zinc/27/57/91/556275791.db2.gz	NFHRMUIDZHDANV-OAHLLOKOSA-N	-1	1	442.424	3.753	50	30		IHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1	ZINC000033307432	557086810	/nfs/dbraw/zinc/08/68/10/557086810.db2.gz	JIAKKODTKCXEAY-UHFFFAOYSA-N	-1	1	432.461	3.988	50	30		IHEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)[N-]C1=S	ZINC000033334238	557117570	/nfs/dbraw/zinc/11/75/70/557117570.db2.gz	WFUPLUJSJVFFFV-PDGQHHTCSA-N	-1	1	437.521	3.842	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102575940	557355240	/nfs/dbraw/zinc/35/52/40/557355240.db2.gz	HWEKCCPRFIEBFX-IBOXJLQUSA-N	-1	1	439.518	3.895	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000102583524	557355599	/nfs/dbraw/zinc/35/55/99/557355599.db2.gz	LTMRDIPFPMGEOS-GHZOWXKBSA-N	-1	1	433.489	3.796	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)s1	ZINC000102583524	557355600	/nfs/dbraw/zinc/35/56/00/557355600.db2.gz	LTMRDIPFPMGEOS-GHZOWXKBSA-N	-1	1	433.489	3.796	50	30		IHEAMM
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1	ZINC000102609056	557360639	/nfs/dbraw/zinc/36/06/39/557360639.db2.gz	UEUQXYKBMHUSOI-MOBKVPTQSA-N	-1	1	436.508	3.819	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccn1	ZINC000102736131	557373161	/nfs/dbraw/zinc/37/31/61/557373161.db2.gz	XZQLBTUCBPJWBF-IBOXJLQUSA-N	-1	1	442.884	3.530	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000102804657	557386501	/nfs/dbraw/zinc/38/65/01/557386501.db2.gz	IIEYQBNZAKPWSI-YDJIHCHBSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccco2)nc1C	ZINC000102874066	557396253	/nfs/dbraw/zinc/39/62/53/557396253.db2.gz	JSLREFXXMRKAOK-DPEHCCBOSA-N	-1	1	442.424	3.597	50	30		IHEAMM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102868105	557404578	/nfs/dbraw/zinc/40/45/78/557404578.db2.gz	FACGEVDQAJXUKB-LFVOPCPISA-N	-1	1	434.473	3.849	50	30		IHEAMM
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102868105	557404581	/nfs/dbraw/zinc/40/45/81/557404581.db2.gz	FACGEVDQAJXUKB-LFVOPCPISA-N	-1	1	434.473	3.849	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c(OC)c1	ZINC000102869284	557405130	/nfs/dbraw/zinc/40/51/30/557405130.db2.gz	OKGXAIMMVZHVLZ-JBCNATCCSA-N	-1	1	434.448	3.935	50	30		IHEAMM
O=C([O-])COc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000001300375	568779036	/nfs/dbraw/zinc/77/90/36/568779036.db2.gz	RBNPBCKKOTUXGL-WPWMEQJKSA-N	-1	1	427.504	3.872	50	30		IHEAMM
Cc1cccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)c1	ZINC000016097041	568870303	/nfs/dbraw/zinc/87/03/03/568870303.db2.gz	HVHOHPKPJKEDGJ-UHFFFAOYSA-N	-1	1	441.534	3.777	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1	ZINC000006245001	568880980	/nfs/dbraw/zinc/88/09/80/568880980.db2.gz	JANMYBLABDRLED-OAQYLSRUSA-N	-1	1	428.444	3.960	50	30		IHEAMM
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(Br)c1OCC(=O)N(C)C	ZINC000096298651	569392074	/nfs/dbraw/zinc/39/20/74/569392074.db2.gz	MQQNBPCAZXDMGU-WTKPLQERSA-N	-1	1	434.286	3.526	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008738873	569472690	/nfs/dbraw/zinc/47/26/90/569472690.db2.gz	MBGYNYIJJAGGID-LJQANCHMSA-N	-1	1	436.395	3.692	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000009185643	569510130	/nfs/dbraw/zinc/51/01/30/569510130.db2.gz	ATOISKIURNCVIY-HXUWFJFHSA-N	-1	1	438.411	3.922	50	30		IHEAMM
C=CCN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)[N-]C1=S	ZINC000009190196	569510521	/nfs/dbraw/zinc/51/05/21/569510521.db2.gz	POSKLCKKGFGZHH-AQTBWJFISA-N	-1	1	437.952	3.715	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009370836	569526845	/nfs/dbraw/zinc/52/68/45/569526845.db2.gz	UYULVZRTPRVLFC-IBGZPJMESA-N	-1	1	446.375	3.681	50	30		IHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000009494375	569540928	/nfs/dbraw/zinc/54/09/28/569540928.db2.gz	MBHSXBNWLBGUBS-PIGZYNQJSA-N	-1	1	425.510	3.954	50	30		IHEAMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CCC1	ZINC000013351076	518884867	/nfs/dbraw/zinc/88/48/67/518884867.db2.gz	QBUQVEBDUHPDDK-UHFFFAOYSA-N	-1	1	449.370	3.974	50	30		IHEAMM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000012343791	518942811	/nfs/dbraw/zinc/94/28/11/518942811.db2.gz	PYBVTCHLNQUOKF-UHFFFAOYSA-N	-1	1	435.505	3.656	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000102804325	522163142	/nfs/dbraw/zinc/16/31/42/522163142.db2.gz	DLNGYJZMAVCYNR-JBCNATCCSA-N	-1	1	444.443	3.503	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000102804325	522163155	/nfs/dbraw/zinc/16/31/55/522163155.db2.gz	DLNGYJZMAVCYNR-JBCNATCCSA-N	-1	1	444.443	3.503	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)nc1C	ZINC000009333861	556283117	/nfs/dbraw/zinc/28/31/17/556283117.db2.gz	ZGXREWNPPLHHFW-CQSZACIVSA-N	-1	1	428.422	3.597	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000013732060	556720727	/nfs/dbraw/zinc/72/07/27/556720727.db2.gz	WUZFGOKHFGHUTR-INIZCTEOSA-N	-1	1	443.506	3.708	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019792832	556915702	/nfs/dbraw/zinc/91/57/02/556915702.db2.gz	DMLBINWMTHIKHN-SFHVURJKSA-N	-1	1	444.827	3.691	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)s1	ZINC000102369201	557318751	/nfs/dbraw/zinc/31/87/51/557318751.db2.gz	QRYHHINVONSPHK-HVESIFNPSA-N	-1	1	425.466	3.853	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102575947	557355183	/nfs/dbraw/zinc/35/51/83/557355183.db2.gz	HWEKCCPRFIEBFX-UYTDBDHRSA-N	-1	1	439.518	3.895	50	30		IHEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102576613	557355217	/nfs/dbraw/zinc/35/52/17/557355217.db2.gz	VXSPBJODGUDQTG-DPEHCCBOSA-N	-1	1	443.506	3.878	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)cc2)s1	ZINC000102598609	557357517	/nfs/dbraw/zinc/35/75/17/557357517.db2.gz	HFYNWYMARQHYQQ-LFVOPCPISA-N	-1	1	449.488	3.552	50	30		IHEAMM
CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102618752	557359615	/nfs/dbraw/zinc/35/96/15/557359615.db2.gz	XKWDIZVMNVLSEY-IDTYTIONSA-N	-1	1	443.506	3.878	50	30		IHEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000102609914	557361013	/nfs/dbraw/zinc/36/10/13/557361013.db2.gz	ZGVIQQHVOBJJRB-JBCNATCCSA-N	-1	1	446.415	3.935	50	30		IHEAMM
COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102725748	557369696	/nfs/dbraw/zinc/36/96/96/557369696.db2.gz	KCJHJWQJYOXBJW-LFVOPCPISA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102725748	557369700	/nfs/dbraw/zinc/36/97/00/557369700.db2.gz	KCJHJWQJYOXBJW-LFVOPCPISA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1OC	ZINC000102738732	557380154	/nfs/dbraw/zinc/38/01/54/557380154.db2.gz	JBSMWQMBAUELQT-IDTYTIONSA-N	-1	1	443.506	3.552	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102803811	557385931	/nfs/dbraw/zinc/38/59/31/557385931.db2.gz	YTEWGZZRLYDOOD-YDJIHCHBSA-N	-1	1	438.411	3.766	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2)nc1C	ZINC000102882004	557408025	/nfs/dbraw/zinc/40/80/25/557408025.db2.gz	UGSHFDRODWZOQF-IBOXJLQUSA-N	-1	1	438.461	3.848	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000102803485	568621586	/nfs/dbraw/zinc/62/15/86/568621586.db2.gz	GPDIGEPFFOOKNT-HOGKFDNTSA-N	-1	1	446.459	3.734	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Br)cc2)s1	ZINC000001167623	568838165	/nfs/dbraw/zinc/83/81/65/568838165.db2.gz	WBXGRUZNBGCYCI-AWEZNQCLSA-N	-1	1	446.282	3.985	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009370835	569526828	/nfs/dbraw/zinc/52/68/28/569526828.db2.gz	UYULVZRTPRVLFC-LJQANCHMSA-N	-1	1	446.375	3.681	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1	ZINC000009494363	569540852	/nfs/dbraw/zinc/54/08/52/569540852.db2.gz	NDSRJQYXYYZWNA-INIZCTEOSA-N	-1	1	425.510	3.622	50	30		IHEAMM
CCOC(=O)c1sc(=NN=C(C(C)=O)C(=O)Nc2cc(Cl)ccc2Cl)[n-]c1C	ZINC000008861118	569584344	/nfs/dbraw/zinc/58/43/44/569584344.db2.gz	ZBLYZHXGUFMNST-XKZIYDEJSA-N	-1	1	443.312	3.931	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)n2)n[n-]c1=S	ZINC000012779651	519194303	/nfs/dbraw/zinc/19/43/03/519194303.db2.gz	BZJMZSVUQZFURG-UHFFFAOYSA-N	-1	1	445.618	3.825	50	30		IHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017268829	522276851	/nfs/dbraw/zinc/27/68/51/522276851.db2.gz	HVRNRWYWGVMDRO-PIGZYNQJSA-N	-1	1	427.526	3.939	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1ccccn1	ZINC000013685670	524193397	/nfs/dbraw/zinc/19/33/97/524193397.db2.gz	XKSUUGCAQZRGOQ-INIZCTEOSA-N	-1	1	442.884	3.686	50	30		IHEAMM
Cc1cc(=O)[n-]c(NN=C2c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)n1	ZINC000020615720	526119860	/nfs/dbraw/zinc/11/98/60/526119860.db2.gz	QYTOQHHWVWWULV-XIEYBQDHSA-N	-1	1	428.279	3.748	50	30		IHEAMM
N#CC(=C([O-])c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	ZINC000059369227	526506932	/nfs/dbraw/zinc/50/69/32/526506932.db2.gz	IGQDRKNHBCKABB-NSHDSACASA-N	-1	1	436.737	3.733	50	30		IHEAMM
COc1cccc([C@@H]2c3c(=O)[n-]c(SCC(C)=O)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000001035431	555607866	/nfs/dbraw/zinc/60/78/66/555607866.db2.gz	XRPWJNQFSCZTLM-KRWDZBQOSA-N	-1	1	439.537	3.660	50	30		IHEAMM
COc1cc(/C=N/[N-]S(=O)(=O)c2c(Cl)cc(C)cc2Cl)cc(OC)c1OC	ZINC000001178866	555670783	/nfs/dbraw/zinc/67/07/83/555670783.db2.gz	YTVJXEGWHUQFTE-AWQFTUOYSA-N	-1	1	433.313	3.640	50	30		IHEAMM
CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000008743931	556208521	/nfs/dbraw/zinc/20/85/21/556208521.db2.gz	OQCJTNWVCDFNLX-KRWDZBQOSA-N	-1	1	441.440	3.564	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009339527	556283171	/nfs/dbraw/zinc/28/31/71/556283171.db2.gz	QIRNGAHRJFVIBI-KRWDZBQOSA-N	-1	1	436.449	3.846	50	30		IHEAMM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000016807806	556644768	/nfs/dbraw/zinc/64/47/68/556644768.db2.gz	VDZOGMQZFIKJQK-HXPMCKFVSA-N	-1	1	434.473	3.955	50	30		IHEAMM
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000016807806	556644771	/nfs/dbraw/zinc/64/47/71/556644771.db2.gz	VDZOGMQZFIKJQK-HXPMCKFVSA-N	-1	1	434.473	3.955	50	30		IHEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000017113596	556668104	/nfs/dbraw/zinc/66/81/04/556668104.db2.gz	GXAZUSYIOLDBHT-KRWDZBQOSA-N	-1	1	427.526	3.852	50	30		IHEAMM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1	ZINC000020081297	556978643	/nfs/dbraw/zinc/97/86/43/556978643.db2.gz	IOYWRQOSIVCNPK-JOCHJYFZSA-N	-1	1	436.508	3.976	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccc(Br)cc1	ZINC000101062670	557219305	/nfs/dbraw/zinc/21/93/05/557219305.db2.gz	RMSYSIHUMRZURI-GHNGSUTGSA-N	-1	1	436.265	3.865	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000102499976	557337145	/nfs/dbraw/zinc/33/71/45/557337145.db2.gz	QWDKZJPPBVCERK-WOOAAIBNSA-N	-1	1	429.856	3.635	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@H]1c1cccnc1	ZINC000102736007	557373367	/nfs/dbraw/zinc/37/33/67/557373367.db2.gz	AJPSSKNTPHJDLA-GHNGSUTGSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102803540	557385554	/nfs/dbraw/zinc/38/55/54/557385554.db2.gz	NGZCRZJDNXZSLF-GHNGSUTGSA-N	-1	1	426.450	3.688	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102805459	557386818	/nfs/dbraw/zinc/38/68/18/557386818.db2.gz	DIQXLDUUXWGCHI-NHFXJNLRSA-N	-1	1	449.419	3.835	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102885333	557409456	/nfs/dbraw/zinc/40/94/56/557409456.db2.gz	NXPXXPYWZJRFKU-NHFXJNLRSA-N	-1	1	432.432	3.704	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102885333	557409459	/nfs/dbraw/zinc/40/94/59/557409459.db2.gz	NXPXXPYWZJRFKU-NHFXJNLRSA-N	-1	1	432.432	3.704	50	30		IHEAMM
COc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1[N-]S(C)(=O)=O	ZINC000225520899	557734934	/nfs/dbraw/zinc/73/49/34/557734934.db2.gz	JQLMLYVLFQWXNQ-UHFFFAOYSA-N	-1	1	426.498	3.577	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2)nc1C	ZINC000001481231	568825179	/nfs/dbraw/zinc/82/51/79/568825179.db2.gz	LVDGGUQLFRVYNF-MRXNPFEDSA-N	-1	1	438.461	3.922	50	30		IHEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000027571680	569273717	/nfs/dbraw/zinc/27/37/17/569273717.db2.gz	SAMNQULNVYNKIF-OAQYLSRUSA-N	-1	1	439.464	3.537	50	30		IHEAMM
Cc1ccc(-n2c(SCC(=O)Nc3nnn[n-]3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000328597274	569318004	/nfs/dbraw/zinc/31/80/04/569318004.db2.gz	GLMZYSFECNBXMG-UHFFFAOYSA-N	-1	1	426.893	3.790	50	30		IHEAMM
Cc1ccc(-n2c(SCC(=O)Nc3nn[n-]n3)nnc2-c2ccc(Cl)cc2)cc1	ZINC000328597274	569318005	/nfs/dbraw/zinc/31/80/05/569318005.db2.gz	GLMZYSFECNBXMG-UHFFFAOYSA-N	-1	1	426.893	3.790	50	30		IHEAMM
COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217672470	569451513	/nfs/dbraw/zinc/45/15/13/569451513.db2.gz	MONIRTRCGFLYQT-FQEVSTJZSA-N	-1	1	446.459	3.500	50	30	biogenic	IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)o2)nc1C	ZINC000008779319	569475524	/nfs/dbraw/zinc/47/55/24/569475524.db2.gz	SOGHIZJPTIQSSM-CQSZACIVSA-N	-1	1	444.490	3.984	50	30		IHEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1	ZINC000013041668	519838783	/nfs/dbraw/zinc/83/87/83/519838783.db2.gz	NESGOUDVDBFLBD-UHFFFAOYSA-N	-1	1	449.598	3.862	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2cccs2)nc1C	ZINC000013163177	522420821	/nfs/dbraw/zinc/42/08/21/522420821.db2.gz	GTOVRBJSKUYDAZ-CQSZACIVSA-N	-1	1	444.490	3.984	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000020606432	523567575	/nfs/dbraw/zinc/56/75/75/523567575.db2.gz	PKQXUQPKSPXORB-OAQYLSRUSA-N	-1	1	446.459	3.890	50	30		IHEAMM
Cn1cc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C(=O)[O-]	ZINC000012885574	527292157	/nfs/dbraw/zinc/29/21/57/527292157.db2.gz	AEEKTVYGZHNVQU-QGZVFWFLSA-N	-1	1	429.885	3.833	50	30		IHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Br)c1	ZINC000001152938	555657245	/nfs/dbraw/zinc/65/72/45/555657245.db2.gz	DMEQZSLEFVLRPU-HNNXBMFYSA-N	-1	1	426.226	3.615	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008743837	556208076	/nfs/dbraw/zinc/20/80/76/556208076.db2.gz	CNQZLKFXYZUREI-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008743837	556208079	/nfs/dbraw/zinc/20/80/79/556208079.db2.gz	CNQZLKFXYZUREI-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000004326011	556328764	/nfs/dbraw/zinc/32/87/64/556328764.db2.gz	VHPFJRJCFFRMJJ-FQEVSTJZSA-N	-1	1	448.431	3.561	50	30		IHEAMM
[O-]C(c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc1O)(C(F)(F)F)C(F)(F)F	ZINC000098003740	557012518	/nfs/dbraw/zinc/01/25/18/557012518.db2.gz	TXFXXEJWUDKWKN-UHFFFAOYSA-N	-1	1	442.152	3.722	50	30		IHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017268833	557048271	/nfs/dbraw/zinc/04/82/71/557048271.db2.gz	HVRNRWYWGVMDRO-APPDUMDISA-N	-1	1	427.526	3.939	50	30		IHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Br)c2)no1	ZINC000101100255	557255385	/nfs/dbraw/zinc/25/53/85/557255385.db2.gz	DGKVMYRAFJTVKA-IBOXJLQUSA-N	-1	1	429.226	3.965	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1	ZINC000086057613	568642789	/nfs/dbraw/zinc/64/27/89/568642789.db2.gz	BDBOBJPZHPYNFQ-QGZVFWFLSA-N	-1	1	435.480	3.687	50	30		IHEAMM
COC(=O)C[C@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(O)c1)O2	ZINC000253404940	569265103	/nfs/dbraw/zinc/26/51/03/569265103.db2.gz	IATHYUGTEBKFRS-BYINCCNUSA-N	-1	1	447.443	3.813	50	30	biogenic	IHEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c([O-])c1	ZINC000020309619	569359939	/nfs/dbraw/zinc/35/99/39/569359939.db2.gz	IDNPQEOMYDTPMY-QFIPXVFZSA-N	-1	1	438.524	3.664	50	30		IHEAMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)[N-]C1=S	ZINC000022108937	518831870	/nfs/dbraw/zinc/83/18/70/518831870.db2.gz	DUQZIDGCDRFHLR-UVTDQMKNSA-N	-1	1	431.311	3.830	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000001153675	555657898	/nfs/dbraw/zinc/65/78/98/555657898.db2.gz	FXKZDQJAWOHRKK-LJQANCHMSA-N	-1	1	446.419	3.566	50	30		IHEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(Br)c1OCC(=O)N(C)C	ZINC000016051083	556581250	/nfs/dbraw/zinc/58/12/50/556581250.db2.gz	MQQNBPCAZXDMGU-RUDMXATFSA-N	-1	1	434.286	3.526	50	30		IHEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000017113594	556668096	/nfs/dbraw/zinc/66/80/96/556668096.db2.gz	GXAZUSYIOLDBHT-QGZVFWFLSA-N	-1	1	427.526	3.852	50	30		IHEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1F	ZINC000002622892	556800528	/nfs/dbraw/zinc/80/05/28/556800528.db2.gz	AKNNIWGYXHDIQY-UHFFFAOYSA-N	-1	1	430.892	3.972	50	30		IHEAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000017843639	557125980	/nfs/dbraw/zinc/12/59/80/557125980.db2.gz	BQGOMFRXDBENCQ-UHFFFAOYSA-N	-1	1	446.580	3.522	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)s1	ZINC000102369197	557318736	/nfs/dbraw/zinc/31/87/36/557318736.db2.gz	QRYHHINVONSPHK-GROYHEBESA-N	-1	1	425.466	3.853	50	30		IHEAMM
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102576618	557355089	/nfs/dbraw/zinc/35/50/89/557355089.db2.gz	VXSPBJODGUDQTG-IDTYTIONSA-N	-1	1	443.506	3.878	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000102583519	557355510	/nfs/dbraw/zinc/35/55/10/557355510.db2.gz	LTMRDIPFPMGEOS-QPAAHAPSSA-N	-1	1	433.489	3.796	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000102583519	557355514	/nfs/dbraw/zinc/35/55/14/557355514.db2.gz	LTMRDIPFPMGEOS-QPAAHAPSSA-N	-1	1	433.489	3.796	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102593291	557357211	/nfs/dbraw/zinc/35/72/11/557357211.db2.gz	MLVYLJYNNZJGEJ-DPEHCCBOSA-N	-1	1	443.506	3.796	50	30		IHEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000102609920	557360952	/nfs/dbraw/zinc/36/09/52/557360952.db2.gz	ZGVIQQHVOBJJRB-MRJHHRETSA-N	-1	1	446.415	3.935	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1	ZINC000102732117	557371731	/nfs/dbraw/zinc/37/17/31/557371731.db2.gz	ROFYYBVMBJABSD-SELCWUDQSA-N	-1	1	426.450	3.688	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102732117	557371734	/nfs/dbraw/zinc/37/17/34/557371734.db2.gz	ROFYYBVMBJABSD-SELCWUDQSA-N	-1	1	426.450	3.688	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1	ZINC000102732120	557371813	/nfs/dbraw/zinc/37/18/13/557371813.db2.gz	ROFYYBVMBJABSD-GHNGSUTGSA-N	-1	1	426.450	3.688	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102732120	557371815	/nfs/dbraw/zinc/37/18/15/557371815.db2.gz	ROFYYBVMBJABSD-GHNGSUTGSA-N	-1	1	426.450	3.688	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccco2)nc1C	ZINC000102874070	557396126	/nfs/dbraw/zinc/39/61/26/557396126.db2.gz	JSLREFXXMRKAOK-IDTYTIONSA-N	-1	1	442.424	3.597	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102885335	557409387	/nfs/dbraw/zinc/40/93/87/557409387.db2.gz	NXPXXPYWZJRFKU-YDJIHCHBSA-N	-1	1	432.432	3.704	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102885335	557409389	/nfs/dbraw/zinc/40/93/89/557409389.db2.gz	NXPXXPYWZJRFKU-YDJIHCHBSA-N	-1	1	432.432	3.704	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000000959790	568646518	/nfs/dbraw/zinc/64/65/18/568646518.db2.gz	DLBJIFXLGUARDF-HNNXBMFYSA-N	-1	1	426.498	3.991	50	30		IHEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C(=O)[N-]C1=S	ZINC000009260154	568818269	/nfs/dbraw/zinc/81/82/69/568818269.db2.gz	VJIOPBGXFRELRM-CPNJWEJPSA-N	-1	1	436.533	3.785	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000009128946	569505661	/nfs/dbraw/zinc/50/56/61/569505661.db2.gz	UALTVYXBDOFYFX-GOSISDBHSA-N	-1	1	449.850	3.700	50	30		IHEAMM
CCOc1ccc(CC[N-]S(=O)(=O)c2nc(C)c(Cl)c(C)c2C#N)cc1OCC	ZINC000012412197	520954780	/nfs/dbraw/zinc/95/47/80/520954780.db2.gz	BPXTXQYXAQIHMH-UHFFFAOYSA-N	-1	1	437.949	3.542	50	30		IHEAMM
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1	ZINC000020081295	522250810	/nfs/dbraw/zinc/25/08/10/522250810.db2.gz	IOYWRQOSIVCNPK-QFIPXVFZSA-N	-1	1	436.508	3.976	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000013110781	525786186	/nfs/dbraw/zinc/78/61/86/525786186.db2.gz	WNCVUAABIVHNGP-QFIPXVFZSA-N	-1	1	446.459	3.890	50	30		IHEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1	ZINC000001033840	555607114	/nfs/dbraw/zinc/60/71/14/555607114.db2.gz	DYKJRNUQGHFVSE-UHFFFAOYSA-N	-1	1	425.466	3.668	50	30		IHEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1	ZINC000001033840	555607120	/nfs/dbraw/zinc/60/71/20/555607120.db2.gz	DYKJRNUQGHFVSE-UHFFFAOYSA-N	-1	1	425.466	3.668	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccco2)nc1C	ZINC000008779353	556214322	/nfs/dbraw/zinc/21/43/22/556214322.db2.gz	VEFORPUHRAKRTO-CQSZACIVSA-N	-1	1	428.422	3.515	50	30		IHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000016959796	556651071	/nfs/dbraw/zinc/65/10/71/556651071.db2.gz	ZKAXYLKTNRMIRJ-QGZVFWFLSA-N	-1	1	425.510	3.630	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000017180296	556671973	/nfs/dbraw/zinc/67/19/73/556671973.db2.gz	NPLLOFTXHKTLAN-SFHVURJKSA-N	-1	1	444.281	3.892	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102514642	557350609	/nfs/dbraw/zinc/35/06/09/557350609.db2.gz	IYLRGEJIENTFSE-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102514642	557350613	/nfs/dbraw/zinc/35/06/13/557350613.db2.gz	IYLRGEJIENTFSE-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccco2)nc1C	ZINC000102702028	557365721	/nfs/dbraw/zinc/36/57/21/557365721.db2.gz	FVQGAQNUMSHBFL-SXWSKBOKSA-N	-1	1	444.490	3.909	50	30		IHEAMM
COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC	ZINC000104188862	557452508	/nfs/dbraw/zinc/45/25/08/557452508.db2.gz	JVVJNJZGGTXWBP-MRJHHRETSA-N	-1	1	434.423	3.864	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC	ZINC000104188862	557452511	/nfs/dbraw/zinc/45/25/11/557452511.db2.gz	JVVJNJZGGTXWBP-MRJHHRETSA-N	-1	1	434.423	3.864	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1	ZINC000086056976	568642170	/nfs/dbraw/zinc/64/21/70/568642170.db2.gz	SAVFAMGQKKFUJY-LJQANCHMSA-N	-1	1	431.517	3.857	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000006143928	568845912	/nfs/dbraw/zinc/84/59/12/568845912.db2.gz	NKZQWOKQSKMBBU-CQSZACIVSA-N	-1	1	428.451	3.599	50	30		IHEAMM
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])ccc1O	ZINC000008964510	568927427	/nfs/dbraw/zinc/92/74/27/568927427.db2.gz	SOWQHDVKFULVFQ-NRFANRHFSA-N	-1	1	439.464	3.624	50	30	biogenic	IHEAMM
COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217672379	569451498	/nfs/dbraw/zinc/45/14/98/569451498.db2.gz	MONIRTRCGFLYQT-HXUWFJFHSA-N	-1	1	446.459	3.500	50	30	biogenic	IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008740881	569472964	/nfs/dbraw/zinc/47/29/64/569472964.db2.gz	WLGAIXSYDUDLJC-IBGZPJMESA-N	-1	1	435.392	3.683	50	30		IHEAMM
C=CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc2OCC(C)(C)C1=O	ZINC000009171221	569509353	/nfs/dbraw/zinc/50/93/53/569509353.db2.gz	JFMSUGVMXPIQBE-UHFFFAOYSA-N	-1	1	434.489	3.573	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000013549343	522162283	/nfs/dbraw/zinc/16/22/83/522162283.db2.gz	ZEVDYLAIIAEYCX-HXUWFJFHSA-N	-1	1	432.407	3.790	50	30		IHEAMM
O=[N+]([O-])c1cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCCC3)n2)ccc1[O-]	ZINC000036047191	527326691	/nfs/dbraw/zinc/32/66/91/527326691.db2.gz	JBPJDMJSHBJIKB-HYARGMPZSA-N	-1	1	434.460	3.665	50	30		IHEAMM
COc1cccc([C@H]2c3c(=O)[n-]c(SCC(C)=O)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000001035430	555607793	/nfs/dbraw/zinc/60/77/93/555607793.db2.gz	XRPWJNQFSCZTLM-QGZVFWFLSA-N	-1	1	439.537	3.660	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009362798	556285776	/nfs/dbraw/zinc/28/57/76/556285776.db2.gz	PMPDIWMJWQDTJM-LJQANCHMSA-N	-1	1	429.856	3.792	50	30		IHEAMM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000016807805	556644837	/nfs/dbraw/zinc/64/48/37/556644837.db2.gz	VDZOGMQZFIKJQK-CWTRNNRKSA-N	-1	1	434.473	3.955	50	30		IHEAMM
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000016807805	556644839	/nfs/dbraw/zinc/64/48/39/556644839.db2.gz	VDZOGMQZFIKJQK-CWTRNNRKSA-N	-1	1	434.473	3.955	50	30		IHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000016959798	556651112	/nfs/dbraw/zinc/65/11/12/556651112.db2.gz	ZKAXYLKTNRMIRJ-KRWDZBQOSA-N	-1	1	425.510	3.630	50	30		IHEAMM
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000025266150	557202173	/nfs/dbraw/zinc/20/21/73/557202173.db2.gz	PDJXHYYFPWJSKA-UHFFFAOYSA-N	-1	1	449.598	3.564	50	30		IHEAMM
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)s1	ZINC000102598911	557357788	/nfs/dbraw/zinc/35/77/88/557357788.db2.gz	CFOWPKMQTMUQJV-DPEHCCBOSA-N	-1	1	443.506	3.878	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000102663859	557362269	/nfs/dbraw/zinc/36/22/69/557362269.db2.gz	LTMRDIPFPMGEOS-LNMXKIQISA-N	-1	1	433.489	3.796	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000102663859	557362273	/nfs/dbraw/zinc/36/22/73/557362273.db2.gz	LTMRDIPFPMGEOS-LNMXKIQISA-N	-1	1	433.489	3.796	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102727538	557370341	/nfs/dbraw/zinc/37/03/41/557370341.db2.gz	IMCOGKJYAOTPEL-NHFXJNLRSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1Cl	ZINC000102714101	557374601	/nfs/dbraw/zinc/37/46/01/557374601.db2.gz	ZDTNNXVZXVNWJR-LFVOPCPISA-N	-1	1	440.839	3.977	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccnc2)cc1F	ZINC000102745742	557377963	/nfs/dbraw/zinc/37/79/63/557377963.db2.gz	FOKRAJGVXWDSGW-GHNGSUTGSA-N	-1	1	439.468	3.929	50	30		IHEAMM
CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000102804393	557386330	/nfs/dbraw/zinc/38/63/30/557386330.db2.gz	MGFKWKXTWZFXSF-SELCWUDQSA-N	-1	1	426.450	3.775	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102806394	557387247	/nfs/dbraw/zinc/38/72/47/557387247.db2.gz	FDLNKROYTVNBJG-NHFXJNLRSA-N	-1	1	449.419	3.916	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102806394	557387251	/nfs/dbraw/zinc/38/72/51/557387251.db2.gz	FDLNKROYTVNBJG-NHFXJNLRSA-N	-1	1	449.419	3.916	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c(OC)c1	ZINC000102869282	557405027	/nfs/dbraw/zinc/40/50/27/557405027.db2.gz	OKGXAIMMVZHVLZ-MRJHHRETSA-N	-1	1	434.448	3.935	50	30		IHEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C(=O)[N-]C1=S	ZINC000009260149	568818323	/nfs/dbraw/zinc/81/83/23/568818323.db2.gz	HKFPDMWXDVWUAD-SFQUDFHCSA-N	-1	1	440.496	3.616	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)c3cc(OC)c(C)c(OC)c3)n2)n[n-]c1=S	ZINC000026042919	568862612	/nfs/dbraw/zinc/86/26/12/568862612.db2.gz	GDVQIMCWIWFXLD-UHFFFAOYSA-N	-1	1	431.543	3.752	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2	ZINC000009353856	569524949	/nfs/dbraw/zinc/52/49/49/569524949.db2.gz	FPFSNTWZKHWTOW-SFHVURJKSA-N	-1	1	438.436	3.836	50	30		IHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000009494394	569540948	/nfs/dbraw/zinc/54/09/48/569540948.db2.gz	OOIUMFYLRFTCQT-QGZVFWFLSA-N	-1	1	425.510	3.955	50	30		IHEAMM
COC(=O)c1cccc(C#Cc2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2)c1	ZINC000040050226	522191148	/nfs/dbraw/zinc/19/11/48/522191148.db2.gz	MLJPYCLXDBTSMV-UHFFFAOYSA-N	-1	1	448.456	3.521	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1	ZINC000006460136	556089581	/nfs/dbraw/zinc/08/95/81/556089581.db2.gz	VGYROVTZJVRTNA-FQEVSTJZSA-N	-1	1	427.428	3.755	50	30		IHEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Br)cc2)o1	ZINC000008987714	556238758	/nfs/dbraw/zinc/23/87/58/556238758.db2.gz	ODQMTNJSUWMWRC-INIZCTEOSA-N	-1	1	440.253	3.923	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)o2)nc1C	ZINC000102537087	557346113	/nfs/dbraw/zinc/34/61/13/557346113.db2.gz	VPNUWGKNUBQJJK-DPEHCCBOSA-N	-1	1	442.449	3.749	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102803735	557385999	/nfs/dbraw/zinc/38/59/99/557385999.db2.gz	XXMSPOIFWVUQQP-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102803735	557386000	/nfs/dbraw/zinc/38/60/00/557386000.db2.gz	XXMSPOIFWVUQQP-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccco2)nc1C	ZINC000102875916	557397176	/nfs/dbraw/zinc/39/71/76/557397176.db2.gz	HBVVFYANUPSIMU-UYTDBDHRSA-N	-1	1	438.461	3.766	50	30		IHEAMM
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000006197098	562946481	/nfs/dbraw/zinc/94/64/81/562946481.db2.gz	YGAQKCHQQVDBPL-KRWDZBQOSA-N	-1	1	425.466	3.930	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)o2)nc1C	ZINC000009008720	562966607	/nfs/dbraw/zinc/96/66/07/562966607.db2.gz	YJOSUQLKNFAYFW-OAHLLOKOSA-N	-1	1	442.449	3.906	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1	ZINC000086057725	568642436	/nfs/dbraw/zinc/64/24/36/568642436.db2.gz	GMCROTYKYBRFNC-SFHVURJKSA-N	-1	1	435.480	3.687	50	30		IHEAMM
C=CCc1ccccc1OCCSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21	ZINC000015732588	568815382	/nfs/dbraw/zinc/81/53/82/568815382.db2.gz	YPGRIAKPDVIVDO-UHFFFAOYSA-N	-1	1	448.504	3.713	50	30		IHEAMM
O=S(=O)([N-]N=Cc1ccc(F)cc1)c1cc(Br)ccc1Br	ZINC000252604142	569194207	/nfs/dbraw/zinc/19/42/07/569194207.db2.gz	FXBNIXXTCRAADG-UHFFFAOYSA-N	-1	1	436.100	3.663	50	30		IHEAMM
COC(=O)C[C@@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(O)c1)O2	ZINC000253404944	569265124	/nfs/dbraw/zinc/26/51/24/569265124.db2.gz	IATHYUGTEBKFRS-QREGZJMFSA-N	-1	1	447.443	3.813	50	30	biogenic	IHEAMM
Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(Br)c(C#N)cc3F)c2C)o1	ZINC000328594508	569317591	/nfs/dbraw/zinc/31/75/91/569317591.db2.gz	PKIMMCZAAMBTSG-UHFFFAOYSA-N	-1	1	439.266	3.861	50	30		IHEAMM
N#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)c1	ZINC000009367478	569526477	/nfs/dbraw/zinc/52/64/77/569526477.db2.gz	MFITZQOJUMXGKG-UHFFFAOYSA-N	-1	1	449.488	3.773	50	30		IHEAMM
COc1ccc(-c2csc(-c3c([O-])cn(N=Cc4c[nH]c5ccccc45)c3N)n2)cc1	ZINC000013549332	523161346	/nfs/dbraw/zinc/16/13/46/523161346.db2.gz	SGSHJNKWEZGAPQ-KBKYJPHKSA-N	-1	1	429.505	3.846	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000020606434	523570236	/nfs/dbraw/zinc/57/02/36/523570236.db2.gz	PKQXUQPKSPXORB-NRFANRHFSA-N	-1	1	446.459	3.890	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001109493	555630831	/nfs/dbraw/zinc/63/08/31/555630831.db2.gz	GYNRRXBYAWRAFE-GOSISDBHSA-N	-1	1	426.450	3.845	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000008740895	556206596	/nfs/dbraw/zinc/20/65/96/556206596.db2.gz	QKGRQAJEKWBKNC-LJQANCHMSA-N	-1	1	435.392	3.683	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000009110640	556247781	/nfs/dbraw/zinc/24/77/81/556247781.db2.gz	QFXQYWNAVVVEIE-KRWDZBQOSA-N	-1	1	437.433	3.843	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000004326009	556328792	/nfs/dbraw/zinc/32/87/92/556328792.db2.gz	VHPFJRJCFFRMJJ-HXUWFJFHSA-N	-1	1	448.431	3.561	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3cccc4ccccc43)cc2)NC1=O	ZINC000016115381	556583902	/nfs/dbraw/zinc/58/39/02/556583902.db2.gz	LAOVFDAOEUMTBO-AFEQLLIESA-N	-1	1	433.489	3.815	50	30		IHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017268842	557048094	/nfs/dbraw/zinc/04/80/94/557048094.db2.gz	HVRNRWYWGVMDRO-GTNSWQLSSA-N	-1	1	427.526	3.939	50	30		IHEAMM
O=C1c2ccccc2C([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)=CC1=Nc1ccc(O)cc1	ZINC000100822375	557188500	/nfs/dbraw/zinc/18/85/00/557188500.db2.gz	AVDPMLTZTCUVGG-GFMRDNFCSA-N	-1	1	449.444	3.671	50	30		IHEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1=O	ZINC000101239066	557264661	/nfs/dbraw/zinc/26/46/61/557264661.db2.gz	VUGXZPAVVFLVGE-IBGZPJMESA-N	-1	1	449.488	3.515	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccco2)nc1C	ZINC000102699814	557365361	/nfs/dbraw/zinc/36/53/61/557365361.db2.gz	LAVBPFPJMWXLMY-IDTYTIONSA-N	-1	1	442.449	3.749	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102718423	557375267	/nfs/dbraw/zinc/37/52/67/557375267.db2.gz	PRQHVZVXLTYHEP-WOOAAIBNSA-N	-1	1	435.392	3.526	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)nc1C	ZINC000102803594	557385882	/nfs/dbraw/zinc/38/58/82/557385882.db2.gz	PIZHOKQIGAEZIY-HVESIFNPSA-N	-1	1	434.473	3.864	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C	ZINC000102803594	557385887	/nfs/dbraw/zinc/38/58/87/557385887.db2.gz	PIZHOKQIGAEZIY-HVESIFNPSA-N	-1	1	434.473	3.864	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)nc1C	ZINC000102803590	557385948	/nfs/dbraw/zinc/38/59/48/557385948.db2.gz	PIZHOKQIGAEZIY-GROYHEBESA-N	-1	1	434.473	3.864	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)nc1C	ZINC000102803590	557385952	/nfs/dbraw/zinc/38/59/52/557385952.db2.gz	PIZHOKQIGAEZIY-GROYHEBESA-N	-1	1	434.473	3.864	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102806131	557386994	/nfs/dbraw/zinc/38/69/94/557386994.db2.gz	NTFHACAJWGAVGC-LFVOPCPISA-N	-1	1	435.392	3.526	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@@H]1c1ccc(OC)cc1	ZINC000100951233	568803826	/nfs/dbraw/zinc/80/38/26/568803826.db2.gz	SRQSEQBQWUEVTE-QGZVFWFLSA-N	-1	1	427.526	3.841	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)c3cccc(NC(=O)OCC)c3)n2)n[n-]c1=S	ZINC000026093096	568862696	/nfs/dbraw/zinc/86/26/96/568862696.db2.gz	HUGWRDJSYBCZGI-UHFFFAOYSA-N	-1	1	444.542	3.995	50	30		IHEAMM
CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc([O-])c(O)c3)c2C#N)cc1	ZINC000027548468	569271422	/nfs/dbraw/zinc/27/14/22/569271422.db2.gz	BOBPYBNIWXUQPL-UHFFFAOYSA-N	-1	1	446.488	3.859	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008738874	569472756	/nfs/dbraw/zinc/47/27/56/569472756.db2.gz	MBGYNYIJJAGGID-IBGZPJMESA-N	-1	1	436.395	3.692	50	30		IHEAMM
CC1(C)SC(=S)N(/N=C/c2ccco2)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008951443	569489893	/nfs/dbraw/zinc/48/98/93/569489893.db2.gz	WBDOIWFEEHVLGR-YFEUJDIGSA-N	-1	1	435.487	3.883	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1OC	ZINC000009312942	569521917	/nfs/dbraw/zinc/52/19/17/569521917.db2.gz	FXBNILXOTXTSPW-FQEVSTJZSA-N	-1	1	438.411	3.922	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000001153975	555657835	/nfs/dbraw/zinc/65/78/35/555657835.db2.gz	HLUVLPUSWNGFKB-QGZVFWFLSA-N	-1	1	436.811	3.821	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000008914796	556232085	/nfs/dbraw/zinc/23/20/85/556232085.db2.gz	ULYSWCGRMJCIMG-QGZVFWFLSA-N	-1	1	425.441	3.777	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009362799	556285673	/nfs/dbraw/zinc/28/56/73/556285673.db2.gz	PMPDIWMJWQDTJM-IBGZPJMESA-N	-1	1	429.856	3.792	50	30		IHEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OCc3cccc4ccccc43)c2)NC1=O	ZINC000015857547	556558229	/nfs/dbraw/zinc/55/82/29/556558229.db2.gz	WWRXPDFZLGCEKD-FINLKQIMSA-N	-1	1	433.489	3.815	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000015952670	556569138	/nfs/dbraw/zinc/56/91/38/556569138.db2.gz	OEZWAYHNCIMUPY-JOCHJYFZSA-N	-1	1	446.459	3.890	50	30		IHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3nnc(-c4ccccc4)o3)cc2)c1	ZINC000033308208	557088156	/nfs/dbraw/zinc/08/81/56/557088156.db2.gz	QJDFIYBDGRKPDB-UHFFFAOYSA-N	-1	1	432.461	3.988	50	30		IHEAMM
COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)ccc1O	ZINC000102487964	557331628	/nfs/dbraw/zinc/33/16/28/557331628.db2.gz	BFDIHBPPVCXQBU-MRJHHRETSA-N	-1	1	446.415	3.935	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102514653	557350641	/nfs/dbraw/zinc/35/06/41/557350641.db2.gz	IYLRGEJIENTFSE-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102514653	557350643	/nfs/dbraw/zinc/35/06/43/557350643.db2.gz	IYLRGEJIENTFSE-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102592048	557356960	/nfs/dbraw/zinc/35/69/60/557356960.db2.gz	YYTFXZNBSPRJAZ-SXWSKBOKSA-N	-1	1	445.547	3.956	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102727951	557370657	/nfs/dbraw/zinc/37/06/57/557370657.db2.gz	NLTVWWZAQJGFEL-WOOAAIBNSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1ccccn1	ZINC000102736135	557373356	/nfs/dbraw/zinc/37/33/56/557373356.db2.gz	XZQLBTUCBPJWBF-UYTDBDHRSA-N	-1	1	442.884	3.530	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102806302	557387141	/nfs/dbraw/zinc/38/71/41/557387141.db2.gz	ZZDRLHGVQSWUFI-NHFXJNLRSA-N	-1	1	449.419	3.916	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102806302	557387142	/nfs/dbraw/zinc/38/71/42/557387142.db2.gz	ZZDRLHGVQSWUFI-NHFXJNLRSA-N	-1	1	449.419	3.916	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102798540	557389066	/nfs/dbraw/zinc/38/90/66/557389066.db2.gz	IZWWZGYBCUGTFO-UYTDBDHRSA-N	-1	1	440.412	3.520	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000102801130	557390436	/nfs/dbraw/zinc/39/04/36/557390436.db2.gz	ZZBCCMFFRXBJSD-IBOXJLQUSA-N	-1	1	425.397	3.817	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102878777	557407009	/nfs/dbraw/zinc/40/70/09/557407009.db2.gz	YHSZTULQMVYRNP-HVESIFNPSA-N	-1	1	436.449	3.689	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102878779	557407065	/nfs/dbraw/zinc/40/70/65/557407065.db2.gz	YHSZTULQMVYRNP-GROYHEBESA-N	-1	1	436.449	3.689	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)n2)n[n-]c1=S	ZINC000084670707	568799851	/nfs/dbraw/zinc/79/98/51/568799851.db2.gz	TUKGEUGZIPKDMN-KRWDZBQOSA-N	-1	1	440.598	3.777	50	30		IHEAMM
O=C([O-])COc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000239184836	568910748	/nfs/dbraw/zinc/91/07/48/568910748.db2.gz	RBNPBCKKOTUXGL-UHFFFAOYSA-N	-1	1	427.504	3.872	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020057100	569332847	/nfs/dbraw/zinc/33/28/47/569332847.db2.gz	JUWWZFRWUOKJRO-GOSISDBHSA-N	-1	1	444.827	3.691	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1c1ccccc1F	ZINC000020309364	569359578	/nfs/dbraw/zinc/35/95/78/569359578.db2.gz	ZEUALHBEVUVLNB-NRFANRHFSA-N	-1	1	434.467	3.824	50	30		IHEAMM
CCOC(=O)C(Sc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N)=C(C)[O-]	ZINC000009420363	569532676	/nfs/dbraw/zinc/53/26/76/569532676.db2.gz	XAOWGYDASOUFGS-AWEZNQCLSA-N	-1	1	442.440	3.877	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)c3cncc(Br)c3)n2)n[n-]c1=S	ZINC000012890825	519194044	/nfs/dbraw/zinc/19/40/44/519194044.db2.gz	KECANOYUCQEHMW-UHFFFAOYSA-N	-1	1	437.348	3.584	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000009541010	525386184	/nfs/dbraw/zinc/38/61/84/525386184.db2.gz	MGNIYAGECNPHJL-HNNXBMFYSA-N	-1	1	443.506	3.953	50	30		IHEAMM
N#CC(=C([O-])c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	ZINC000059369228	526493487	/nfs/dbraw/zinc/49/34/87/526493487.db2.gz	IGQDRKNHBCKABB-LLVKDONJSA-N	-1	1	436.737	3.733	50	30		IHEAMM
O=C1/C(=C/c2ccc([O-])c(Cl)c2)CS(=O)(=O)C/C1=C\c1ccc(O)c(Cl)c1	ZINC000096035408	526941209	/nfs/dbraw/zinc/94/12/09/526941209.db2.gz	BXXSCFHSWMVOPX-ACFHMISVSA-N	-1	1	425.289	3.869	50	30		IHEAMM
O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Br)c1	ZINC000001152939	555657291	/nfs/dbraw/zinc/65/72/91/555657291.db2.gz	DMEQZSLEFVLRPU-OAHLLOKOSA-N	-1	1	426.226	3.615	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000001450471	555699680	/nfs/dbraw/zinc/69/96/80/555699680.db2.gz	PPTRYDIUPGIRQN-LJQANCHMSA-N	-1	1	438.411	3.922	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000006143925	556077862	/nfs/dbraw/zinc/07/78/62/556077862.db2.gz	QIVWIEYVPOWUPR-KRWDZBQOSA-N	-1	1	436.449	3.846	50	30		IHEAMM
COC(=O)c1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CCC3)cc1	ZINC000017113604	556668092	/nfs/dbraw/zinc/66/80/92/556668092.db2.gz	NDSRJQYXYYZWNA-MRXNPFEDSA-N	-1	1	425.510	3.622	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000017316790	556675321	/nfs/dbraw/zinc/67/53/21/556675321.db2.gz	YPQSLXIDUBLOER-HNNXBMFYSA-N	-1	1	426.498	3.991	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000008837776	557124220	/nfs/dbraw/zinc/12/42/20/557124220.db2.gz	WKYVIVZQDXXSTG-SFHVURJKSA-N	-1	1	437.477	3.647	50	30		IHEAMM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Br)cc2)no1	ZINC000101069975	557223728	/nfs/dbraw/zinc/22/37/28/557223728.db2.gz	PALFAWMBPODHET-IBOXJLQUSA-N	-1	1	429.226	3.965	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2	ZINC000102544383	557348741	/nfs/dbraw/zinc/34/87/41/557348741.db2.gz	QTZRRINCRZMGRC-SELCWUDQSA-N	-1	1	438.436	3.680	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccn2)cc1F	ZINC000102742890	557376755	/nfs/dbraw/zinc/37/67/55/557376755.db2.gz	TVYNBVODSQBENW-GHNGSUTGSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)nc1C	ZINC000102859478	557399467	/nfs/dbraw/zinc/39/94/67/557399467.db2.gz	QQGNYCZXZJXBGW-IDTYTIONSA-N	-1	1	440.502	3.926	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102880320	557407786	/nfs/dbraw/zinc/40/77/86/557407786.db2.gz	SLFVUFHSJLSPJI-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102880320	557407789	/nfs/dbraw/zinc/40/77/89/557407789.db2.gz	SLFVUFHSJLSPJI-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1	ZINC000086057728	568642548	/nfs/dbraw/zinc/64/25/48/568642548.db2.gz	GMCROTYKYBRFNC-GOSISDBHSA-N	-1	1	435.480	3.687	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1	ZINC000001464718	568820169	/nfs/dbraw/zinc/82/01/69/568820169.db2.gz	NABKYTSTRNLAOR-KRWDZBQOSA-N	-1	1	425.441	3.777	50	30		IHEAMM
COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC	ZINC000104188858	568900862	/nfs/dbraw/zinc/90/08/62/568900862.db2.gz	JVVJNJZGGTXWBP-JBCNATCCSA-N	-1	1	434.423	3.864	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC	ZINC000104188858	568900864	/nfs/dbraw/zinc/90/08/64/568900864.db2.gz	JVVJNJZGGTXWBP-JBCNATCCSA-N	-1	1	434.423	3.864	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C([O-])C(=O)N2c2ncccn2)cc1	ZINC000009128947	569505637	/nfs/dbraw/zinc/50/56/37/569505637.db2.gz	UALTVYXBDOFYFX-SFHVURJKSA-N	-1	1	449.850	3.700	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)cc2)s1	ZINC000009424020	569532989	/nfs/dbraw/zinc/53/29/89/569532989.db2.gz	QGOVWOQNMQMCBI-IBGZPJMESA-N	-1	1	449.488	3.709	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)CCc3cc(OC)cc(OC)c3)n2)n[n-]c1=S	ZINC000012791172	519193181	/nfs/dbraw/zinc/19/31/81/519193181.db2.gz	PIIOAABZHCKRLB-UHFFFAOYSA-N	-1	1	445.570	3.762	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccs2)nc1C	ZINC000013161700	522419579	/nfs/dbraw/zinc/41/95/79/522419579.db2.gz	GTOVRBJSKUYDAZ-AWEZNQCLSA-N	-1	1	444.490	3.984	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009339528	526353863	/nfs/dbraw/zinc/35/38/63/526353863.db2.gz	QIRNGAHRJFVIBI-QGZVFWFLSA-N	-1	1	436.449	3.846	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101100244	526957456	/nfs/dbraw/zinc/95/74/56/526957456.db2.gz	KHPPQPHKGTUQOD-IDTYTIONSA-N	-1	1	442.294	3.927	50	30		IHEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000001153674	555657922	/nfs/dbraw/zinc/65/79/22/555657922.db2.gz	FXKZDQJAWOHRKK-IBGZPJMESA-N	-1	1	446.419	3.566	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)cc1	ZINC000006460119	556089585	/nfs/dbraw/zinc/08/95/85/556089585.db2.gz	VGYROVTZJVRTNA-HXUWFJFHSA-N	-1	1	427.428	3.755	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102806134	557386850	/nfs/dbraw/zinc/38/68/50/557386850.db2.gz	NTFHACAJWGAVGC-WOOAAIBNSA-N	-1	1	435.392	3.526	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C	ZINC000102875919	557397134	/nfs/dbraw/zinc/39/71/34/557397134.db2.gz	HBVVFYANUPSIMU-IBOXJLQUSA-N	-1	1	438.461	3.766	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@H]1c1ccc(OC)cc1	ZINC000044973775	568625423	/nfs/dbraw/zinc/62/54/23/568625423.db2.gz	ZKSPHWWGAJXRFO-KRWDZBQOSA-N	-1	1	425.510	3.617	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccc(Cl)cc1	ZINC000020309152	569359581	/nfs/dbraw/zinc/35/95/81/569359581.db2.gz	MBJCWKDYESMLJZ-GOSISDBHSA-N	-1	1	435.307	3.839	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1c1ccc(F)cc1	ZINC000020309373	569359667	/nfs/dbraw/zinc/35/96/67/569359667.db2.gz	PFKRVWMXTNLBDG-NRFANRHFSA-N	-1	1	434.467	3.824	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008740880	569472973	/nfs/dbraw/zinc/47/29/73/569472973.db2.gz	WLGAIXSYDUDLJC-LJQANCHMSA-N	-1	1	435.392	3.683	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008914699	569485446	/nfs/dbraw/zinc/48/54/46/569485446.db2.gz	KNHTVKFAZOVBHJ-GOSISDBHSA-N	-1	1	426.450	3.845	50	30		IHEAMM
C=CCc1ccccc1OCCSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[n-]n21	ZINC000009641253	569555620	/nfs/dbraw/zinc/55/56/20/569555620.db2.gz	AKFLUJVSIFWHBG-UHFFFAOYSA-N	-1	1	434.521	3.993	50	30		IHEAMM
C=CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000065059853	518942902	/nfs/dbraw/zinc/94/29/02/518942902.db2.gz	HBXIPAACFKNDST-UHFFFAOYSA-N	-1	1	427.457	3.730	50	30		IHEAMM
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccc(Cl)c4)CC3)c2c1	ZINC000040267239	526474802	/nfs/dbraw/zinc/47/48/02/526474802.db2.gz	GBCGCMQGIFOCNS-QFIPXVFZSA-N	-1	1	438.915	3.667	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000005354852	556047268	/nfs/dbraw/zinc/04/72/68/556047268.db2.gz	TUAFOKNIBHRXIE-MRXNPFEDSA-N	-1	1	440.412	3.677	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009334462	556283083	/nfs/dbraw/zinc/28/30/83/556283083.db2.gz	OLDRPWLLFDPSIM-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009334462	556283088	/nfs/dbraw/zinc/28/30/88/556283088.db2.gz	OLDRPWLLFDPSIM-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009370827	556286153	/nfs/dbraw/zinc/28/61/53/556286153.db2.gz	HHVSVMWTYZLLRE-AWEZNQCLSA-N	-1	1	428.451	3.599	50	30		IHEAMM
N#CCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2[O-])c1	ZINC000019877622	556936083	/nfs/dbraw/zinc/93/60/83/556936083.db2.gz	RMOMIGNZMUUKPA-UHFFFAOYSA-N	-1	1	429.885	3.643	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101100245	557255407	/nfs/dbraw/zinc/25/54/07/557255407.db2.gz	KHPPQPHKGTUQOD-DPEHCCBOSA-N	-1	1	442.294	3.927	50	30		IHEAMM
CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3ccccc3)nn2c1=O	ZINC000101878723	557304633	/nfs/dbraw/zinc/30/46/33/557304633.db2.gz	VELYZRFYHRKAAD-UHFFFAOYSA-N	-1	1	440.507	3.787	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1OC	ZINC000102528806	557354509	/nfs/dbraw/zinc/35/45/09/557354509.db2.gz	NNKHHFHJKGDMKS-NHFXJNLRSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccs1	ZINC000102752728	557383478	/nfs/dbraw/zinc/38/34/78/557383478.db2.gz	PWUWHPYCJHYJJW-IDTYTIONSA-N	-1	1	431.470	3.682	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000102804322	557386507	/nfs/dbraw/zinc/38/65/07/557386507.db2.gz	DLNGYJZMAVCYNR-MRJHHRETSA-N	-1	1	444.443	3.503	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000102804322	557386509	/nfs/dbraw/zinc/38/65/09/557386509.db2.gz	DLNGYJZMAVCYNR-MRJHHRETSA-N	-1	1	444.443	3.503	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102878924	557407067	/nfs/dbraw/zinc/40/70/67/557407067.db2.gz	TYALCQSCPYLKAP-HOGKFDNTSA-N	-1	1	446.459	3.734	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2	ZINC000009124037	562967386	/nfs/dbraw/zinc/96/73/86/562967386.db2.gz	PJHWKXCJFRNXOK-GOSISDBHSA-N	-1	1	438.436	3.836	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001450494	568818095	/nfs/dbraw/zinc/81/80/95/568818095.db2.gz	BPFHSQWPXXLMDV-IBGZPJMESA-N	-1	1	435.392	3.683	50	30		IHEAMM
C=CCOc1ccc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000006143979	568845880	/nfs/dbraw/zinc/84/58/80/568845880.db2.gz	BWYPUPSQTWYCAS-KRWDZBQOSA-N	-1	1	439.537	3.833	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@H]1c1cccc(F)c1	ZINC000020309348	569359642	/nfs/dbraw/zinc/35/96/42/569359642.db2.gz	OECGIWLYYFGKPW-OAQYLSRUSA-N	-1	1	434.467	3.824	50	30		IHEAMM
N#Cc1cc2c(nc1N1CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC1)CCCC2	ZINC000032101477	569460104	/nfs/dbraw/zinc/46/01/04/569460104.db2.gz	ZUAMOCAQZCTEHJ-JOCHJYFZSA-N	-1	1	449.942	3.915	50	30		IHEAMM
CC1(C)SC(=S)N(/N=C/c2cccnc2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008951475	569489849	/nfs/dbraw/zinc/48/98/49/569489849.db2.gz	OYCSEQGQRVDIAL-BBJIBYMTSA-N	-1	1	446.514	3.685	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000008996616	569495744	/nfs/dbraw/zinc/49/57/44/569495744.db2.gz	MTFUFKZPQREKEP-FQEVSTJZSA-N	-1	1	438.411	3.922	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000009110305	569502165	/nfs/dbraw/zinc/50/21/65/569502165.db2.gz	HBBKKCFUZYVMAD-AWEZNQCLSA-N	-1	1	429.479	3.645	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000009243420	569514906	/nfs/dbraw/zinc/51/49/06/569514906.db2.gz	DHBBNIDFLADKAI-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000009243420	569514907	/nfs/dbraw/zinc/51/49/07/569514907.db2.gz	DHBBNIDFLADKAI-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000009494377	569540964	/nfs/dbraw/zinc/54/09/64/569540964.db2.gz	MBHSXBNWLBGUBS-APPDUMDISA-N	-1	1	425.510	3.954	50	30		IHEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(F)c3)cc2OCC(C)(C)C1=O	ZINC000009167242	518875972	/nfs/dbraw/zinc/87/59/72/518875972.db2.gz	LVKLEMVHEVVWSE-UHFFFAOYSA-N	-1	1	448.516	3.963	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1	ZINC000013549340	522170664	/nfs/dbraw/zinc/17/06/64/522170664.db2.gz	ZEVDYLAIIAEYCX-FQEVSTJZSA-N	-1	1	432.407	3.790	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000001450470	555699602	/nfs/dbraw/zinc/69/96/02/555699602.db2.gz	PPTRYDIUPGIRQN-IBGZPJMESA-N	-1	1	438.411	3.922	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000005354864	556047342	/nfs/dbraw/zinc/04/73/42/556047342.db2.gz	TUAFOKNIBHRXIE-INIZCTEOSA-N	-1	1	440.412	3.677	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000006444655	556087900	/nfs/dbraw/zinc/08/79/00/556087900.db2.gz	ZLVIIKJFEVNFHE-QGZVFWFLSA-N	-1	1	425.441	3.777	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000013732063	556720839	/nfs/dbraw/zinc/72/08/39/556720839.db2.gz	WUZFGOKHFGHUTR-MRXNPFEDSA-N	-1	1	443.506	3.708	50	30		IHEAMM
C=CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc1	ZINC000033138552	556872844	/nfs/dbraw/zinc/87/28/44/556872844.db2.gz	FLAQCKXTXHICIH-UHFFFAOYSA-N	-1	1	425.535	3.949	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019792833	556915713	/nfs/dbraw/zinc/91/57/13/556915713.db2.gz	DMLBINWMTHIKHN-GOSISDBHSA-N	-1	1	444.827	3.691	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2	ZINC000102544393	557348721	/nfs/dbraw/zinc/34/87/21/557348721.db2.gz	QTZRRINCRZMGRC-GHNGSUTGSA-N	-1	1	438.436	3.680	50	30		IHEAMM
CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102618746	557359654	/nfs/dbraw/zinc/35/96/54/557359654.db2.gz	XKWDIZVMNVLSEY-DPEHCCBOSA-N	-1	1	443.506	3.878	50	30		IHEAMM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1	ZINC000102609052	557360618	/nfs/dbraw/zinc/36/06/18/557360618.db2.gz	UEUQXYKBMHUSOI-HOGKFDNTSA-N	-1	1	436.508	3.819	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102702115	557365788	/nfs/dbraw/zinc/36/57/88/557365788.db2.gz	HXIJDILNMOHWEP-GROYHEBESA-N	-1	1	426.450	3.688	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)nc1C	ZINC000102725563	557369503	/nfs/dbraw/zinc/36/95/03/557369503.db2.gz	NBUBRDFIBOXNLY-UYTDBDHRSA-N	-1	1	438.461	3.766	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)nc1C	ZINC000102725563	557369507	/nfs/dbraw/zinc/36/95/07/557369507.db2.gz	NBUBRDFIBOXNLY-UYTDBDHRSA-N	-1	1	438.461	3.766	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000102804007	557386012	/nfs/dbraw/zinc/38/60/12/557386012.db2.gz	XITPQAQUCBVINP-MRJHHRETSA-N	-1	1	434.448	3.935	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102803733	557386051	/nfs/dbraw/zinc/38/60/51/557386051.db2.gz	XXMSPOIFWVUQQP-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102803733	557386053	/nfs/dbraw/zinc/38/60/53/557386053.db2.gz	XXMSPOIFWVUQQP-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102804479	557386581	/nfs/dbraw/zinc/38/65/81/557386581.db2.gz	UEIHGUPGTKCJBI-WOOAAIBNSA-N	-1	1	436.395	3.535	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102880317	557407819	/nfs/dbraw/zinc/40/78/19/557407819.db2.gz	SLFVUFHSJLSPJI-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102880317	557407822	/nfs/dbraw/zinc/40/78/22/557407822.db2.gz	SLFVUFHSJLSPJI-NHFXJNLRSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000102803481	568621580	/nfs/dbraw/zinc/62/15/80/568621580.db2.gz	GPDIGEPFFOOKNT-MOBKVPTQSA-N	-1	1	446.459	3.734	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102883621	568621798	/nfs/dbraw/zinc/62/17/98/568621798.db2.gz	BWPBBGBQRSHPKH-JBCNATCCSA-N	-1	1	434.448	3.935	50	30		IHEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C(=O)[N-]C1=S	ZINC000016225272	568829474	/nfs/dbraw/zinc/82/94/74/568829474.db2.gz	SFRKYNMNNFAJNW-YBEGLDIGSA-N	-1	1	440.481	3.664	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000006143929	568845832	/nfs/dbraw/zinc/84/58/32/568845832.db2.gz	NKZQWOKQSKMBBU-AWEZNQCLSA-N	-1	1	428.451	3.599	50	30		IHEAMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000033274680	568866448	/nfs/dbraw/zinc/86/64/48/568866448.db2.gz	CHHHMKNRFABKMQ-UHFFFAOYSA-N	-1	1	435.343	3.584	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccc(Cl)c1	ZINC000020309140	569359548	/nfs/dbraw/zinc/35/95/48/569359548.db2.gz	HYOGHINLAXRARV-SFHVURJKSA-N	-1	1	435.307	3.839	50	30		IHEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000008739363	569472800	/nfs/dbraw/zinc/47/28/00/569472800.db2.gz	NWUFWEVSYWQEEX-HXUWFJFHSA-N	-1	1	448.431	3.561	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000009110304	569502112	/nfs/dbraw/zinc/50/21/12/569502112.db2.gz	HBBKKCFUZYVMAD-CQSZACIVSA-N	-1	1	429.479	3.645	50	30		IHEAMM
C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)[N-]C(=O)c1ccccc1)CCCC3	ZINC000012930547	519159463	/nfs/dbraw/zinc/15/94/63/519159463.db2.gz	VBBJECUJGKYGBW-UHFFFAOYSA-N	-1	1	439.562	3.572	50	30		IHEAMM
Cn1cc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C(=O)[O-]	ZINC000012885565	527292056	/nfs/dbraw/zinc/29/20/56/527292056.db2.gz	AEEKTVYGZHNVQU-KRWDZBQOSA-N	-1	1	429.885	3.833	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000015934775	556565666	/nfs/dbraw/zinc/56/56/66/556565666.db2.gz	FCOGMQCREPSROM-CWTRNNRKSA-N	-1	1	433.489	3.953	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000015934775	556565668	/nfs/dbraw/zinc/56/56/68/556565668.db2.gz	FCOGMQCREPSROM-CWTRNNRKSA-N	-1	1	433.489	3.953	50	30		IHEAMM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000015934776	556565680	/nfs/dbraw/zinc/56/56/80/556565680.db2.gz	FCOGMQCREPSROM-HXPMCKFVSA-N	-1	1	433.489	3.953	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)s1	ZINC000015934776	556565681	/nfs/dbraw/zinc/56/56/81/556565681.db2.gz	FCOGMQCREPSROM-HXPMCKFVSA-N	-1	1	433.489	3.953	50	30		IHEAMM
CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017268838	557048167	/nfs/dbraw/zinc/04/81/67/557048167.db2.gz	HVRNRWYWGVMDRO-DIFFPNOSSA-N	-1	1	427.526	3.939	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102592055	557356991	/nfs/dbraw/zinc/35/69/91/557356991.db2.gz	YYTFXZNBSPRJAZ-MRPLLJTBSA-N	-1	1	445.547	3.956	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000102593286	557357167	/nfs/dbraw/zinc/35/71/67/557357167.db2.gz	MLVYLJYNNZJGEJ-IDTYTIONSA-N	-1	1	443.506	3.796	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102613513	557359118	/nfs/dbraw/zinc/35/91/18/557359118.db2.gz	GOIHUCCGXXYVCZ-DPEHCCBOSA-N	-1	1	443.506	3.796	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102883620	557408755	/nfs/dbraw/zinc/40/87/55/557408755.db2.gz	BWPBBGBQRSHPKH-MRJHHRETSA-N	-1	1	434.448	3.935	50	30		IHEAMM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccc(N2CCOCC2)cc1	ZINC000044973914	557542016	/nfs/dbraw/zinc/54/20/16/557542016.db2.gz	DRJAWUCXYNISSL-KRWDZBQOSA-N	-1	1	438.553	3.882	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1	ZINC000086057221	568642532	/nfs/dbraw/zinc/64/25/32/568642532.db2.gz	LARUUZGGEODETR-IBGZPJMESA-N	-1	1	431.517	3.857	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000000959776	568646507	/nfs/dbraw/zinc/64/65/07/568646507.db2.gz	QUHMXDKIXGJJAV-HNNXBMFYSA-N	-1	1	426.498	3.991	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1	ZINC000001464719	568820237	/nfs/dbraw/zinc/82/02/37/568820237.db2.gz	NABKYTSTRNLAOR-QGZVFWFLSA-N	-1	1	425.441	3.777	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(Br)o3)n2)n[n-]c1=S	ZINC000026091367	568862599	/nfs/dbraw/zinc/86/25/99/568862599.db2.gz	ZWKWLVIXXXIPGN-UHFFFAOYSA-N	-1	1	426.321	3.782	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000008827819	569477715	/nfs/dbraw/zinc/47/77/15/569477715.db2.gz	DGMLURJGNIXRAB-QGZVFWFLSA-N	-1	1	426.450	3.845	50	30		IHEAMM
C=CCN1c2cc([N-]S(=O)(=O)c3ccc(OCC)c(F)c3)ccc2OCC(C)(C)C1=O	ZINC000009171513	569509394	/nfs/dbraw/zinc/50/93/94/569509394.db2.gz	UCAKXHVHIRPHRA-UHFFFAOYSA-N	-1	1	448.516	3.963	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(SC)s2)c1	ZINC000009540806	569545817	/nfs/dbraw/zinc/54/58/17/569545817.db2.gz	OOHYCPFCUWIZOQ-HNNXBMFYSA-N	-1	1	443.506	3.953	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000009991368	569576892	/nfs/dbraw/zinc/57/68/92/569576892.db2.gz	SWEBWCGHJTXKEF-GOSISDBHSA-N	-1	1	437.477	3.647	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccc(F)c1	ZINC000013690345	524297350	/nfs/dbraw/zinc/29/73/50/524297350.db2.gz	AJSVMNHVABCCEI-QGZVFWFLSA-N	-1	1	443.431	3.916	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000009339981	527584813	/nfs/dbraw/zinc/58/48/13/527584813.db2.gz	XDQYDMRTAFCGIE-SELCWUDQSA-N	-1	1	444.827	3.535	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000715098	555548319	/nfs/dbraw/zinc/54/83/19/555548319.db2.gz	DOVAJWWOCZXUPI-MRXNPFEDSA-N	-1	1	425.397	3.973	50	30		IHEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009008998	556240511	/nfs/dbraw/zinc/24/05/11/556240511.db2.gz	JIBLFLHUHHBGPX-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009008998	556240512	/nfs/dbraw/zinc/24/05/12/556240512.db2.gz	JIBLFLHUHHBGPX-FQEVSTJZSA-N	-1	1	431.404	3.781	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009370825	556286207	/nfs/dbraw/zinc/28/62/07/556286207.db2.gz	HHVSVMWTYZLLRE-CQSZACIVSA-N	-1	1	428.451	3.599	50	30		IHEAMM
CCOc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(Br)c1OCC(=O)N(C)C	ZINC000016043703	556578335	/nfs/dbraw/zinc/57/83/35/556578335.db2.gz	RLDZXQIMZYIIMN-BJMVGYQFSA-N	-1	1	448.313	3.917	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)nc1C	ZINC000102859472	557399493	/nfs/dbraw/zinc/39/94/93/557399493.db2.gz	QQGNYCZXZJXBGW-DPEHCCBOSA-N	-1	1	440.502	3.926	50	30		IHEAMM
Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)nc2n1	ZINC000328595034	557805927	/nfs/dbraw/zinc/80/59/27/557805927.db2.gz	IXFPYNNQJFAOMW-LEJIWSMMSA-N	-1	1	426.521	3.512	50	30		IHEAMM
C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1	ZINC000086057098	568642381	/nfs/dbraw/zinc/64/23/81/568642381.db2.gz	CNGJNTFXNWDLKS-IBGZPJMESA-N	-1	1	431.517	3.857	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)[C@H]3CCCN3Cc3ccccc3)n2)n[n-]c1=S	ZINC000084670710	568799679	/nfs/dbraw/zinc/79/96/79/568799679.db2.gz	TUKGEUGZIPKDMN-QGZVFWFLSA-N	-1	1	440.598	3.777	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@@H]1c1cccc(OC)c1	ZINC000009569627	568819243	/nfs/dbraw/zinc/81/92/43/568819243.db2.gz	KWWJGDRBSBPUDA-QGZVFWFLSA-N	-1	1	425.510	3.617	50	30		IHEAMM
CC1(C)SC(=S)N(/N=C/c2cccnc2)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008951476	569489840	/nfs/dbraw/zinc/48/98/40/569489840.db2.gz	OYCSEQGQRVDIAL-PZUDMAOCSA-N	-1	1	446.514	3.685	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)cc2)s1	ZINC000009424019	569533004	/nfs/dbraw/zinc/53/30/04/569533004.db2.gz	QGOVWOQNMQMCBI-LJQANCHMSA-N	-1	1	449.488	3.709	50	30		IHEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2OCC(C)(C)C1=O	ZINC000009166963	518876102	/nfs/dbraw/zinc/87/61/02/518876102.db2.gz	QYIKCVGTRUWUGL-UHFFFAOYSA-N	-1	1	434.489	3.573	50	30		IHEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)n[n-]c1=S	ZINC000012823862	519193348	/nfs/dbraw/zinc/19/33/48/519193348.db2.gz	BDPDPCFGAGVMRO-UHFFFAOYSA-N	-1	1	436.906	3.988	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000013110780	525786233	/nfs/dbraw/zinc/78/62/33/525786233.db2.gz	WNCVUAABIVHNGP-JOCHJYFZSA-N	-1	1	446.459	3.890	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020057098	527584399	/nfs/dbraw/zinc/58/43/99/527584399.db2.gz	JUWWZFRWUOKJRO-SFHVURJKSA-N	-1	1	444.827	3.691	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000000959786	555590921	/nfs/dbraw/zinc/59/09/21/555590921.db2.gz	SHQYVQDBKJLVSX-INIZCTEOSA-N	-1	1	427.526	3.710	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000015952671	556569103	/nfs/dbraw/zinc/56/91/03/556569103.db2.gz	OEZWAYHNCIMUPY-QFIPXVFZSA-N	-1	1	446.459	3.890	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)o2)nc1C	ZINC000102537094	557345975	/nfs/dbraw/zinc/34/59/75/557345975.db2.gz	VPNUWGKNUBQJJK-IDTYTIONSA-N	-1	1	442.449	3.749	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2cccc(OC)c2OC)c1	ZINC000102553066	557358543	/nfs/dbraw/zinc/35/85/43/557358543.db2.gz	DKOUJTYWEQWMNS-MRJHHRETSA-N	-1	1	446.459	3.734	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)o2)nc1C	ZINC000102697624	557365056	/nfs/dbraw/zinc/36/50/56/557365056.db2.gz	GWXMCDNACKKWGB-MRPLLJTBSA-N	-1	1	444.490	3.827	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000102804660	557386735	/nfs/dbraw/zinc/38/67/35/557386735.db2.gz	IIEYQBNZAKPWSI-NHFXJNLRSA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102868197	557404646	/nfs/dbraw/zinc/40/46/46/557404646.db2.gz	FPCNXUNSLVMWRO-NHFXJNLRSA-N	-1	1	434.448	3.935	50	30		IHEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)nc1C	ZINC000102882007	557408082	/nfs/dbraw/zinc/40/80/82/557408082.db2.gz	UGSHFDRODWZOQF-UYTDBDHRSA-N	-1	1	438.461	3.848	50	30		IHEAMM
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000006197085	562946502	/nfs/dbraw/zinc/94/65/02/562946502.db2.gz	YGAQKCHQQVDBPL-QGZVFWFLSA-N	-1	1	425.466	3.930	50	30		IHEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000000959775	568646410	/nfs/dbraw/zinc/64/64/10/568646410.db2.gz	QUHMXDKIXGJJAV-OAHLLOKOSA-N	-1	1	426.498	3.991	50	30		IHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000006143646	568845902	/nfs/dbraw/zinc/84/59/02/568845902.db2.gz	QJBQGZMUKCYEHF-QGZVFWFLSA-N	-1	1	427.526	3.854	50	30		IHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)c1	ZINC000065096404	569103586	/nfs/dbraw/zinc/10/35/86/569103586.db2.gz	QGTQXDPLCDTMGN-UHFFFAOYSA-N	-1	1	442.460	3.742	50	30		IHEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2OCC(C)(C)C1=O	ZINC000009166968	569508920	/nfs/dbraw/zinc/50/89/20/569508920.db2.gz	QZOJDNPCJZSLFX-UHFFFAOYSA-N	-1	1	430.526	3.824	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000009185644	569510151	/nfs/dbraw/zinc/51/01/51/569510151.db2.gz	ATOISKIURNCVIY-FQEVSTJZSA-N	-1	1	438.411	3.922	50	30		IHEAMM
COc1cc(C(=O)N[N-]S(=O)(=O)c2cc(Cl)ccc2O)ccc1OCCC(C)C	ZINC000328596191	452922851	/nfs/dbraw/zinc/92/28/51/452922851.db2.gz	WNUBHBJRENRATG-UHFFFAOYSA-N	-1	1	442.921	3.677	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000013570542	523565956	/nfs/dbraw/zinc/56/59/56/523565956.db2.gz	BRZIYNQIZLMQKJ-HXUWFJFHSA-N	-1	1	449.419	3.991	50	30		IHEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000000624385	555511783	/nfs/dbraw/zinc/51/17/83/555511783.db2.gz	HKDLXRAJPWSUJA-GOSISDBHSA-N	-1	1	437.477	3.647	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001109492	555630840	/nfs/dbraw/zinc/63/08/40/555630840.db2.gz	GYNRRXBYAWRAFE-SFHVURJKSA-N	-1	1	426.450	3.845	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000001153974	555657905	/nfs/dbraw/zinc/65/79/05/555657905.db2.gz	HLUVLPUSWNGFKB-KRWDZBQOSA-N	-1	1	436.811	3.821	50	30		IHEAMM
CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O	ZINC000008913976	556232122	/nfs/dbraw/zinc/23/21/22/556232122.db2.gz	OPGFEKQPAUTTQR-GOSISDBHSA-N	-1	1	426.450	3.932	50	30		IHEAMM
O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000020101407	556980261	/nfs/dbraw/zinc/98/02/61/556980261.db2.gz	XIFZHTPMZDKPPS-HXUWFJFHSA-N	-1	1	438.436	3.818	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Br)c1)c1ccccc1	ZINC000101100251	557255431	/nfs/dbraw/zinc/25/54/31/557255431.db2.gz	GEQAJIAIEGEVPI-HVESIFNPSA-N	-1	1	436.265	3.865	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(OC)c2OC)c1	ZINC000102553073	557358567	/nfs/dbraw/zinc/35/85/67/557358567.db2.gz	DKOUJTYWEQWMNS-JBCNATCCSA-N	-1	1	446.459	3.734	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000102704788	557366103	/nfs/dbraw/zinc/36/61/03/557366103.db2.gz	VYMFTDWYBAIULR-MRJHHRETSA-N	-1	1	434.448	3.935	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1OC	ZINC000102738729	557380142	/nfs/dbraw/zinc/38/01/42/557380142.db2.gz	JBSMWQMBAUELQT-DPEHCCBOSA-N	-1	1	443.506	3.552	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102800649	557390520	/nfs/dbraw/zinc/39/05/20/557390520.db2.gz	AZLNXSPQGZYYTR-HVESIFNPSA-N	-1	1	437.433	3.686	50	30		IHEAMM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102886998	557409697	/nfs/dbraw/zinc/40/96/97/557409697.db2.gz	ZHOKZSISARBYMS-YDJIHCHBSA-N	-1	1	438.436	3.918	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C	ZINC000009233266	562968337	/nfs/dbraw/zinc/96/83/37/562968337.db2.gz	VNNRHPIKLZWVGW-MRXNPFEDSA-N	-1	1	438.461	3.922	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(OC)c2OC)c1	ZINC000009242345	562968448	/nfs/dbraw/zinc/96/84/48/562968448.db2.gz	HGLSHLFWZMAUEZ-OAQYLSRUSA-N	-1	1	446.459	3.890	50	30		IHEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001450474	568818048	/nfs/dbraw/zinc/81/80/48/568818048.db2.gz	SCAYITLLVIBLGE-FQEVSTJZSA-N	-1	1	438.411	3.922	50	30		IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)nc1C	ZINC000001481230	568825160	/nfs/dbraw/zinc/82/51/60/568825160.db2.gz	LVDGGUQLFRVYNF-INIZCTEOSA-N	-1	1	438.461	3.922	50	30		IHEAMM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000016448586	568829773	/nfs/dbraw/zinc/82/97/73/568829773.db2.gz	ZTZDSYUATFIHHR-UHFFFAOYSA-N	-1	1	449.532	3.964	50	30		IHEAMM
COC(=O)C[C@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2	ZINC000524730836	569126196	/nfs/dbraw/zinc/12/61/96/569126196.db2.gz	YYVVDFJGEUOZAV-HQOKVJKCSA-N	-1	1	445.427	3.827	50	30	biogenic	IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccc(Cl)cc1	ZINC000020309150	569359610	/nfs/dbraw/zinc/35/96/10/569359610.db2.gz	MBJCWKDYESMLJZ-SFHVURJKSA-N	-1	1	435.307	3.839	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020309360	569359664	/nfs/dbraw/zinc/35/96/64/569359664.db2.gz	NEAGWKQVPJHFAI-QFIPXVFZSA-N	-1	1	446.503	3.694	50	30		IHEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@H]1c1ccc(F)cc1	ZINC000020309376	569359755	/nfs/dbraw/zinc/35/97/55/569359755.db2.gz	PFKRVWMXTNLBDG-OAQYLSRUSA-N	-1	1	434.467	3.824	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2	ZINC000009353849	569524977	/nfs/dbraw/zinc/52/49/77/569524977.db2.gz	FPFSNTWZKHWTOW-GOSISDBHSA-N	-1	1	438.436	3.836	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000002480227	555783468	/nfs/dbraw/zinc/78/34/68/555783468.db2.gz	RJSMGXPFAZSOBL-INIZCTEOSA-N	-1	1	443.506	3.708	50	30		IHEAMM
COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1OC	ZINC000013730435	556720528	/nfs/dbraw/zinc/72/05/28/556720528.db2.gz	CQVGINYIDJXRLL-HNNXBMFYSA-N	-1	1	443.506	3.708	50	30		IHEAMM
COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)ccc1O	ZINC000102487953	557331339	/nfs/dbraw/zinc/33/13/39/557331339.db2.gz	BFDIHBPPVCXQBU-JBCNATCCSA-N	-1	1	446.415	3.935	50	30		IHEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)cc2)s1	ZINC000102598614	557357507	/nfs/dbraw/zinc/35/75/07/557357507.db2.gz	HFYNWYMARQHYQQ-WOOAAIBNSA-N	-1	1	449.488	3.552	50	30		IHEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@@H]1c1cccnc1	ZINC000102736005	557373197	/nfs/dbraw/zinc/37/31/97/557373197.db2.gz	AJPSSKNTPHJDLA-SELCWUDQSA-N	-1	1	439.468	3.929	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102803913	557385970	/nfs/dbraw/zinc/38/59/70/557385970.db2.gz	KQTBMMPVKISBTQ-LFVOPCPISA-N	-1	1	435.392	3.526	50	30		IHEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC	ZINC000102803815	557386003	/nfs/dbraw/zinc/38/60/03/557386003.db2.gz	YTEWGZZRLYDOOD-NHFXJNLRSA-N	-1	1	438.411	3.766	50	30		IHEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104066928	557449829	/nfs/dbraw/zinc/44/98/29/557449829.db2.gz	HEVDTGCZBVVNNV-SELCWUDQSA-N	-1	1	437.477	3.577	50	30		IHEAMM
CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104066934	557449894	/nfs/dbraw/zinc/44/98/94/557449894.db2.gz	HEVDTGCZBVVNNV-GHNGSUTGSA-N	-1	1	437.477	3.577	50	30		IHEAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2	ZINC000006143644	568845782	/nfs/dbraw/zinc/84/57/82/568845782.db2.gz	CGWKALHZGXSYNQ-QGZVFWFLSA-N	-1	1	427.526	3.854	50	30		IHEAMM
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])ccc1O	ZINC000008964509	568927322	/nfs/dbraw/zinc/92/73/22/568927322.db2.gz	SOWQHDVKFULVFQ-OAQYLSRUSA-N	-1	1	439.464	3.624	50	30	biogenic	IHEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)o2)nc1C	ZINC000008779320	569475540	/nfs/dbraw/zinc/47/55/40/569475540.db2.gz	SOGHIZJPTIQSSM-AWEZNQCLSA-N	-1	1	444.490	3.984	50	30		IHEAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1	ZINC000013042103	521410954	/nfs/dbraw/zinc/41/09/54/521410954.db2.gz	HVNDKAXTMNNKBW-UHFFFAOYSA-N	-1	1	449.598	3.691	50	30		IHEAMM
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccn1	ZINC000013685665	524193775	/nfs/dbraw/zinc/19/37/75/524193775.db2.gz	XKSUUGCAQZRGOQ-MRXNPFEDSA-N	-1	1	442.884	3.686	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000009046104	556242736	/nfs/dbraw/zinc/24/27/36/556242736.db2.gz	AOCLUJODJFGZMW-MRXNPFEDSA-N	-1	1	425.397	3.973	50	30		IHEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000008837775	557124242	/nfs/dbraw/zinc/12/42/42/557124242.db2.gz	WKYVIVZQDXXSTG-GOSISDBHSA-N	-1	1	437.477	3.647	50	30		IHEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC	ZINC000102727948	557370223	/nfs/dbraw/zinc/37/02/23/557370223.db2.gz	NLTVWWZAQJGFEL-LFVOPCPISA-N	-1	1	438.411	3.766	50	30		IHEAMM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102866195	557404406	/nfs/dbraw/zinc/40/44/06/557404406.db2.gz	CURLYDSYIUTRAQ-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102866195	557404410	/nfs/dbraw/zinc/40/44/10/557404410.db2.gz	CURLYDSYIUTRAQ-YDJIHCHBSA-N	-1	1	431.404	3.625	50	30		IHEAMM
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000102895955	557406364	/nfs/dbraw/zinc/40/63/64/557406364.db2.gz	ICHVKHKEWRNKHM-LFVOPCPISA-N	-1	1	446.375	3.524	50	30		IHEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@@H]1c1ccc(OC)cc1	ZINC000044973779	568625425	/nfs/dbraw/zinc/62/54/25/568625425.db2.gz	ZKSPHWWGAJXRFO-QGZVFWFLSA-N	-1	1	425.510	3.617	50	30		IHEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1	ZINC000001450475	568817994	/nfs/dbraw/zinc/81/79/94/568817994.db2.gz	SCAYITLLVIBLGE-HXUWFJFHSA-N	-1	1	438.411	3.922	50	30		IHEAMM
COc1cccc(C=Nn2c(=O)cn[n-]c2=S)c1OCc1ccc(Br)cc1	ZINC000001789197	568907766	/nfs/dbraw/zinc/90/77/66/568907766.db2.gz	JGQKBUKZMHLAFV-ZVBGSRNCSA-N	-1	1	447.314	3.533	50	30		IHEAMM
CC1(C)SC(=S)N(/N=C/c2ccco2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008951442	569489887	/nfs/dbraw/zinc/48/98/87/569489887.db2.gz	WBDOIWFEEHVLGR-XKYMITNMSA-N	-1	1	435.487	3.883	50	30		IHEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009334497	569523229	/nfs/dbraw/zinc/52/32/29/569523229.db2.gz	YHIXNVSHAAARMU-SELCWUDQSA-N	-1	1	444.827	3.535	50	30		IHEAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2	ZINC000009494390	569540950	/nfs/dbraw/zinc/54/09/50/569540950.db2.gz	OOIUMFYLRFTCQT-KRWDZBQOSA-N	-1	1	425.510	3.955	50	30		IHEAMM