smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)cc1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000012769799	201364694	/nfs/dbraw/zinc/36/46/94/201364694.db2.gz	FGFOIJNDRUZKAM-CHHVJCJISA-N	-1	1	347.164	3.780	50	30	biogenic	EHEAMM
O=c1[n-]c(=S)[nH]c(N=Cc2ccccc2)c1N=Cc1ccccc1	ZINC000210801620	241076492	/nfs/dbraw/zinc/07/64/92/241076492.db2.gz	NEEVCWPRIZJJRJ-AYKLPDECSA-N	-1	1	334.404	3.934	50	30		EHEAMM
O=C1c2ccc([O-])c(O)c2C/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000157251602	206126131	/nfs/dbraw/zinc/12/61/31/206126131.db2.gz	ICLVMMXYCUPJQG-NTCAYCPXSA-N	-1	1	335.403	3.911	50	30		EHEAMM
C=CCn1c([C@H](CCCC)C[C@@H](O)COCC(C)C)n[n-]c1=S	ZINC000005737235	519259339	/nfs/dbraw/zinc/25/93/39/519259339.db2.gz	YMMCAWZUKOBVRL-HUUCEWRRSA-N	-1	1	341.521	3.824	50	30		EHEAMM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(Cl)c3)nc1-2	ZINC000072296113	563912167	/nfs/dbraw/zinc/91/21/67/563912167.db2.gz	ZRRSRVGOFULGQS-GJBLVYBDSA-N	-1	1	336.782	3.809	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(-c3cccs3)cs2)c(=O)o1	ZINC000102500639	564020090	/nfs/dbraw/zinc/02/00/90/564020090.db2.gz	WGPZIAJQDAAMSK-DWTRPJMMSA-N	-1	1	344.413	3.705	50	30		EHEAMM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(Cl)c3)nc1-2	ZINC000104185505	564023772	/nfs/dbraw/zinc/02/37/72/564023772.db2.gz	ZRRSRVGOFULGQS-GXMNPTEKSA-N	-1	1	336.782	3.809	50	30		EHEAMM
C=CCn1c([O-])c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21	ZINC000001307607	564063097	/nfs/dbraw/zinc/06/30/97/564063097.db2.gz	KHLDDWMYTGGJSR-UHFFFAOYSA-N	-1	1	348.402	3.762	50	30		EHEAMM
CCON=C(C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252610241	564121441	/nfs/dbraw/zinc/12/14/41/564121441.db2.gz	HZNNYOXGMYTDFA-UHFFFAOYSA-N	-1	1	348.402	3.971	50	30		EHEAMM
N#Cc1c([N-]C(=O)c2cc(-c3ccco3)on2)sc2c1CCCC2	ZINC000003908440	564159660	/nfs/dbraw/zinc/15/96/60/564159660.db2.gz	KSPMTNBRDICCJB-UHFFFAOYSA-N	-1	1	339.376	3.999	50	30		EHEAMM
Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CCCCC3)nc(C)n1	ZINC000041573984	564174115	/nfs/dbraw/zinc/17/41/15/564174115.db2.gz	KDJHHSOMMHCHCD-AWEZNQCLSA-N	-1	1	325.437	3.914	50	30		EHEAMM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(Cl)c3)nc1-2	ZINC000072296114	563912197	/nfs/dbraw/zinc/91/21/97/563912197.db2.gz	ZRRSRVGOFULGQS-VBROQKIQSA-N	-1	1	336.782	3.809	50	30		EHEAMM
CC[C@H](C(=O)Nc1nn2c([n-]1)nc(C)c(Cl)c2=O)c1ccccc1	ZINC000008914651	564167903	/nfs/dbraw/zinc/16/79/03/564167903.db2.gz	NAOUJJDSFDKRFC-NSHDSACASA-N	-1	1	345.790	3.574	50	30		EHEAMM
COc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1OC(F)F	ZINC000096930452	201378303	/nfs/dbraw/zinc/37/83/03/201378303.db2.gz	QPGOZADRXKIVGZ-VGOFMYFVSA-N	-1	1	334.274	3.618	50	30		EHEAMM
COc1cc(-c2cc(C3CCC3)nc(N)c2C#N)cc(Cl)c1[O-]	ZINC000071575894	203099867	/nfs/dbraw/zinc/09/98/67/203099867.db2.gz	XJTVKCVFRLOWGC-UHFFFAOYSA-N	-1	1	329.787	3.838	50	30		EHEAMM
C=CCn1c([C@@H](NC(=O)c2cccc(C)c2)C(C)C)n[n-]c1=S	ZINC000000366583	564074568	/nfs/dbraw/zinc/07/45/68/564074568.db2.gz	RXOZSALAHQKYOI-AWEZNQCLSA-N	-1	1	330.457	3.562	50	30		EHEAMM
CCc1oc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1C	ZINC000101652889	568417297	/nfs/dbraw/zinc/41/72/97/568417297.db2.gz	QBJBMRFIUBVBNS-CYBMUJFWSA-N	-1	1	330.771	3.765	50	30		EHEAMM
O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc([O-])c(Cl)c1	ZINC000018255028	563851877	/nfs/dbraw/zinc/85/18/77/563851877.db2.gz	LOFAXQAAFADMMB-ZROIWOOFSA-N	-1	1	330.796	3.937	50	30		EHEAMM
COc1ccc2c(c1)c(CN=Nc1ccc(C(=O)[O-])cc1)c(C)n2C	ZINC000005490163	564004738	/nfs/dbraw/zinc/00/47/38/564004738.db2.gz	CKCMDODTVFNBLZ-RGVLZGJSSA-N	-1	1	337.379	3.640	50	30		EHEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1C1CCCCC1	ZINC000001239783	564062485	/nfs/dbraw/zinc/06/24/85/564062485.db2.gz	PQHDDOVQMIUNBG-LICLKQGHSA-N	-1	1	330.413	3.569	50	30		EHEAMM
CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)C(C#N)c1ccccn1	ZINC000071892400	563930672	/nfs/dbraw/zinc/93/06/72/563930672.db2.gz	YPNDFZDFDGJNNM-HIFRSBDPSA-N	-1	1	333.395	3.596	50	30		EHEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cnc(-c2ccccc2)s1	ZINC000044942766	564027813	/nfs/dbraw/zinc/02/78/13/564027813.db2.gz	UAQBDKHHYXFCOJ-UHFFFAOYSA-N	-1	1	339.302	3.583	50	30		EHEAMM
COc1ccc(C(=O)C=C(Nc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000002818854	257951406	/nfs/dbraw/zinc/95/14/06/257951406.db2.gz	ASLTVGASBXPETI-GDNBJRDFSA-N	-1	1	331.755	3.612	50	30		EHEAMM
C=CCOc1ccc(-c2nc3c(sc(=S)n3CC)c(=O)[n-]2)cc1	ZINC000004625767	210234237	/nfs/dbraw/zinc/23/42/37/210234237.db2.gz	SFBAWQJBCMDEDG-UHFFFAOYSA-N	-1	1	345.449	3.767	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2	ZINC000028182420	201387699	/nfs/dbraw/zinc/38/76/99/201387699.db2.gz	RHINQRBCRDNFRI-GRSHGNNSSA-N	-1	1	348.402	3.562	50	30		EHEAMM
O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1	ZINC000001245857	563381278	/nfs/dbraw/zinc/38/12/78/563381278.db2.gz	UVEZPFRCKIJTKH-LICLKQGHSA-N	-1	1	330.413	3.569	50	30		EHEAMM
O=C(C=C([O-])C(=O)Nc1ccc(Br)cc1)c1ccccc1	ZINC000100758249	563995220	/nfs/dbraw/zinc/99/52/20/563995220.db2.gz	FLRFTQVSZOSQBF-GDNBJRDFSA-N	-1	1	346.180	3.712	50	30		EHEAMM
COc1cc(/C=C/c2ccncc2C#N)cc(Br)c1[O-]	ZINC000390835680	564139050	/nfs/dbraw/zinc/13/90/50/564139050.db2.gz	UUKGLAVSNJOQLK-NSCUHMNNSA-N	-1	1	331.169	3.600	50	30		EHEAMM
CN1CCc2c(C#N)c(/N=C/c3cc(Cl)ccc3[O-])sc2C1	ZINC000004837329	563984209	/nfs/dbraw/zinc/98/42/09/563984209.db2.gz	ZERULFNGSDSXQC-UFWORHAWSA-N	-1	1	331.828	3.717	50	30		EHEAMM
C=CCn1c([C@H](NC(=O)c2ccc(C)cc2)C(C)C)n[n-]c1=S	ZINC000000366584	564074527	/nfs/dbraw/zinc/07/45/27/564074527.db2.gz	FNTGOZDOXJPMIT-CQSZACIVSA-N	-1	1	330.457	3.562	50	30		EHEAMM
CCc1c([O-])c(C(C)=NO)c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000252601723	564121165	/nfs/dbraw/zinc/12/11/65/564121165.db2.gz	FCAXIMLOEHPSKC-UHFFFAOYSA-N	-1	1	348.402	3.971	50	30	aggregator	EHEAMM
CC(=NO)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252610376	564121461	/nfs/dbraw/zinc/12/14/61/564121461.db2.gz	IBELVYVTRSBECF-UHFFFAOYSA-N	-1	1	334.375	3.717	50	30		EHEAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1nc2ccccc2s1	ZINC000008744310	564167187	/nfs/dbraw/zinc/16/71/87/564167187.db2.gz	WYLWSIPORRTBMR-YBFXNURJSA-N	-1	1	349.419	3.942	50	30		EHEAMM
CCn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c2cc(OC)ccc21	ZINC000008765059	564167360	/nfs/dbraw/zinc/16/73/60/564167360.db2.gz	PQUZJYJVDVRAQO-UFWORHAWSA-N	-1	1	335.359	3.992	50	30	biogenic	EHEAMM
C=CCn1c([C@H](NC(=O)c2cccc(C)c2)C(C)C)n[n-]c1=S	ZINC000000366582	209554415	/nfs/dbraw/zinc/55/44/15/209554415.db2.gz	RXOZSALAHQKYOI-CQSZACIVSA-N	-1	1	330.457	3.562	50	30		EHEAMM
CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)n1	ZINC000080455303	564140303	/nfs/dbraw/zinc/14/03/03/564140303.db2.gz	UASUIWMRPRVVOR-CYBMUJFWSA-N	-1	1	339.420	3.641	50	30		EHEAMM
N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2	ZINC000003187585	564155710	/nfs/dbraw/zinc/15/57/10/564155710.db2.gz	UFFYLQLOIOWCJP-UHFFFAOYSA-N	-1	1	333.394	3.721	50	30		EHEAMM
Cc1ccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2C)cc1	ZINC000005818290	1137516182	/nfs/dbraw/zinc/51/61/82/1137516182.db2.gz	UJYZFFREHCDQMC-UHFFFAOYSA-N	-1	1	334.379	3.915	50	30		EHEAMM
C=CCn1c([C@H](CCCC)C[C@H](O)COCC(C)C)n[n-]c1=S	ZINC000005737231	519259550	/nfs/dbraw/zinc/25/95/50/519259550.db2.gz	YMMCAWZUKOBVRL-CABCVRRESA-N	-1	1	341.521	3.824	50	30		EHEAMM
CCc1cc(C(=O)/C=C/c2cc3c(cc2C)OCCO3)c([O-])cc1O	ZINC000006225073	563561706	/nfs/dbraw/zinc/56/17/06/563561706.db2.gz	OQPLFUZQPMOVNN-SNAWJCMRSA-N	-1	1	340.375	3.636	50	30		EHEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1coc2ccc(Cl)cc2c1=O	ZINC000004514648	563748927	/nfs/dbraw/zinc/74/89/27/563748927.db2.gz	OUMWNINQKWVYAC-BNCCVWRVSA-N	-1	1	340.718	3.768	50	30		EHEAMM
N#Cc1ccc([O-])c(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)c1	ZINC000534589999	564136013	/nfs/dbraw/zinc/13/60/13/564136013.db2.gz	BSMJOYBAZVNRMI-UHFFFAOYSA-N	-1	1	342.345	3.802	50	30		EHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1	ZINC000003328451	564157353	/nfs/dbraw/zinc/15/73/53/564157353.db2.gz	WUPRQIIFFOCYNX-UHFFFAOYSA-N	-1	1	348.427	3.950	50	30		EHEAMM
Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CCCCC3)nc(C)n1	ZINC000041573983	564174108	/nfs/dbraw/zinc/17/41/08/564174108.db2.gz	KDJHHSOMMHCHCD-CQSZACIVSA-N	-1	1	325.437	3.914	50	30		EHEAMM
COc1ccc(-c2c(C#N)c3nc4ccccc4n3c([O-])c2C#N)cc1	ZINC000038818821	564165859	/nfs/dbraw/zinc/16/58/59/564165859.db2.gz	IEDDLQYQIWCYCK-UHFFFAOYSA-N	-1	1	340.342	3.612	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2	ZINC000020624514	201371158	/nfs/dbraw/zinc/37/11/58/201371158.db2.gz	BEEAGCHBSYGDEG-SXGWCWSVSA-N	-1	1	329.783	3.723	50	30		EHEAMM
C=CCc1cccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[n-]3)c(=O)oc21	ZINC000020615310	212156037	/nfs/dbraw/zinc/15/60/37/212156037.db2.gz	KRVZCVLLAGRAMT-UHFFFAOYSA-N	-1	1	347.330	3.973	50	30		EHEAMM
O=C1C(=O)C(c2ccc(Br)cc2)=C([O-])c2ccccc21	ZINC000000402492	563997520	/nfs/dbraw/zinc/99/75/20/563997520.db2.gz	MZXUSAPHKQOJEY-UHFFFAOYSA-N	-1	1	329.149	3.797	50	30	biogenic	EHEAMM
COc1cccc(NC(=O)C([O-])=CC(=O)c2ccc(Cl)cc2)c1	ZINC000101355169	564019383	/nfs/dbraw/zinc/01/93/83/564019383.db2.gz	ZFSZPYXIYDXVIO-YBEGLDIGSA-N	-1	1	331.755	3.612	50	30		EHEAMM
C=CCn1c([C@H](CCCC)C[C@@H](O)COCCC)n[n-]c1=S	ZINC000005737237	519260205	/nfs/dbraw/zinc/26/02/05/519260205.db2.gz	SFTZVLUIESDDRA-ZIAGYGMSSA-N	-1	1	327.494	3.578	50	30		EHEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C(C)C)cc2)cc1	ZINC000000213784	563261487	/nfs/dbraw/zinc/26/14/87/563261487.db2.gz	XALIKGAKTNIUFV-UHFFFAOYSA-N	-1	1	332.425	3.833	50	30		EHEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(C(C)C)cc2)cc1	ZINC000000213784	563261488	/nfs/dbraw/zinc/26/14/88/563261488.db2.gz	XALIKGAKTNIUFV-UHFFFAOYSA-N	-1	1	332.425	3.833	50	30		EHEAMM
CCCc1ccc(N[C@H](c2cccc(C#N)c2)[P@](=O)([O-])O)cc1	ZINC000012523585	207164194	/nfs/dbraw/zinc/16/41/94/207164194.db2.gz	PZLLRDLFNHKFFP-KRWDZBQOSA-N	-1	1	330.324	3.799	50	30		EHEAMM
Cc1ccc(/C=N/[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000000354348	563290498	/nfs/dbraw/zinc/29/04/98/563290498.db2.gz	ISQIGZKHVAHODC-RQZCQDPDSA-N	-1	1	343.235	3.614	50	30		EHEAMM
C/C(=N/O)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000018032989	563847446	/nfs/dbraw/zinc/84/74/46/563847446.db2.gz	IBELVYVTRSBECF-STZFKDTASA-N	-1	1	334.375	3.717	50	30		EHEAMM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C2CC2)cc1	ZINC000127849104	563973724	/nfs/dbraw/zinc/97/37/24/563973724.db2.gz	AXQWCIJRQLCERI-CQSZACIVSA-N	-1	1	339.420	3.544	50	30		EHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1	ZINC000006214025	564082982	/nfs/dbraw/zinc/08/29/82/564082982.db2.gz	KMGOLHNLRCOCNC-UHFFFAOYSA-N	-1	1	340.376	3.674	50	30		EHEAMM
COc1ccc(C)cc1NC(=O)C([O-])=CC(=O)c1ccc(C)cc1	ZINC000101355193	204005222	/nfs/dbraw/zinc/00/52/22/204005222.db2.gz	APMKQZNAVQYPMC-BOPFTXTBSA-N	-1	1	325.364	3.575	50	30		EHEAMM
O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c(Br)c2)cc1	ZINC000004990416	563517851	/nfs/dbraw/zinc/51/78/51/563517851.db2.gz	SGGKKXJJFIZGNF-OVCLIPMQSA-N	-1	1	336.145	3.509	50	30		EHEAMM
CCC(=O)NC([N-]c1cccc(F)c1)(C(F)(F)F)C(F)(F)F	ZINC000001856276	564088954	/nfs/dbraw/zinc/08/89/54/564088954.db2.gz	MXOVSHPGEPHRFF-UHFFFAOYSA-N	-1	1	332.219	3.585	50	30		EHEAMM
COc1cc(/C=C/c2ccc(C#N)cn2)cc(Br)c1[O-]	ZINC000193445697	564119527	/nfs/dbraw/zinc/11/95/27/564119527.db2.gz	RILMBIGNBXKAHH-DUXPYHPUSA-N	-1	1	331.169	3.600	50	30		EHEAMM
COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1Br	ZINC000012371076	563658758	/nfs/dbraw/zinc/65/87/58/563658758.db2.gz	HFROUQIJSZAERV-CHHVJCJISA-N	-1	1	347.164	3.780	50	30		EHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1	ZINC000006627742	564094671	/nfs/dbraw/zinc/09/46/71/564094671.db2.gz	SJZCJEAIRDFWTF-UHFFFAOYSA-N	-1	1	327.192	3.666	50	30		EHEAMM
N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000007056110	564103981	/nfs/dbraw/zinc/10/39/81/564103981.db2.gz	GLFNTIAVPYGNSU-UHFFFAOYSA-N	-1	1	327.192	3.666	50	30		EHEAMM
C=CCOc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1	ZINC000032964053	212881489	/nfs/dbraw/zinc/88/14/89/212881489.db2.gz	BEHMVPZOBPEPBI-UHFFFAOYSA-N	-1	1	331.799	3.883	50	30		EHEAMM
C=CCn1c(CCSCc2ccc(OC)c(C)c2)n[n-]c1=S	ZINC000013152825	258017589	/nfs/dbraw/zinc/01/75/89/258017589.db2.gz	PLDNIEYPOQEYHH-UHFFFAOYSA-N	-1	1	335.498	3.920	50	30		EHEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(Cl)cc2)cc1	ZINC000100252147	563982466	/nfs/dbraw/zinc/98/24/66/563982466.db2.gz	PHTKIGLPLIIZND-YBEGLDIGSA-N	-1	1	331.755	3.612	50	30		EHEAMM
COc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[n-]2)cc1	ZINC000252632045	563998019	/nfs/dbraw/zinc/99/80/19/563998019.db2.gz	VPCMZQHQQJKAHI-UHFFFAOYSA-N	-1	1	334.379	3.694	50	30		EHEAMM
C=C(C)COc1cccc(-c2nc3c(sc(=S)n3C)c(=O)[n-]2)c1	ZINC000004171655	210138708	/nfs/dbraw/zinc/13/87/08/210138708.db2.gz	JOGCDEHFMGLHNZ-UHFFFAOYSA-N	-1	1	345.449	3.674	50	30		EHEAMM
COc1cc(/C=C/C(=O)c2cc(C)ccc2[O-])cc(OC)c1OC	ZINC000004046880	210107723	/nfs/dbraw/zinc/10/77/23/210107723.db2.gz	XNHZULULTMZKCX-SOFGYWHQSA-N	-1	1	328.364	3.623	50	30	biogenic	EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3)cc2)c(=O)o1	ZINC000003543723	210050285	/nfs/dbraw/zinc/05/02/85/210050285.db2.gz	AYDSXJQLMORBSH-JTPHSUOKSA-N	-1	1	332.355	3.582	50	30		EHEAMM
COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)ccc1SC	ZINC000328596892	258042390	/nfs/dbraw/zinc/04/23/90/258042390.db2.gz	BHMRRTXYZCKVBI-XVNBXDOJSA-N	-1	1	344.388	3.717	50	30		EHEAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)cc1	ZINC000225553958	564149682	/nfs/dbraw/zinc/14/96/82/564149682.db2.gz	GEELMCOZJAMTMB-ZDUSSCGKSA-N	-1	1	343.452	3.914	50	30		EHEAMM
CC(C)Oc1c(Br)cc(Br)cc1/C=N/[O-]	ZINC000002748132	564152424	/nfs/dbraw/zinc/15/24/24/564152424.db2.gz	LJDTVLCKFBRCOC-WLRTZDKTSA-N	-1	1	337.011	3.807	50	30		EHEAMM
O=[N+]([O-])c1ccc(/C(=N/[O-])c2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000100467592	219099696	/nfs/dbraw/zinc/09/96/96/219099696.db2.gz	YQDJVBALVXPSBY-ODLFYWEKSA-N	-1	1	345.664	3.889	50	30		EHEAMM
COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)OCCCCO3)c1	ZINC000004026046	210103088	/nfs/dbraw/zinc/10/30/88/210103088.db2.gz	LXXDIPHPVPIWNV-QPJJXVBHSA-N	-1	1	340.375	3.848	50	30	biogenic	EHEAMM
Cc1nn(-c2ccccc2)c(C)c1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000009418814	211081429	/nfs/dbraw/zinc/08/14/29/211081429.db2.gz	WBQCMMMBAVQGSJ-ODLFYWEKSA-N	-1	1	332.359	3.811	50	30		EHEAMM
C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)n[n-]c1=S	ZINC000006158523	564070706	/nfs/dbraw/zinc/07/07/06/564070706.db2.gz	CNLYBFRWASGUGS-UHFFFAOYSA-N	-1	1	343.239	3.615	50	30		EHEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1	ZINC000040116185	213269044	/nfs/dbraw/zinc/26/90/44/213269044.db2.gz	VWSKMPPUSPIMRA-UHFFFAOYSA-N	-1	1	338.473	3.727	50	30		EHEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(C2CCCCC2)cc1	ZINC000040116185	213269048	/nfs/dbraw/zinc/26/90/48/213269048.db2.gz	VWSKMPPUSPIMRA-UHFFFAOYSA-N	-1	1	338.473	3.727	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1)O2	ZINC000020624471	212156825	/nfs/dbraw/zinc/15/68/25/212156825.db2.gz	ASGXNFYBKACVIL-SXGWCWSVSA-N	-1	1	329.783	3.723	50	30		EHEAMM
CCc1c([O-])c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000018009687	563847056	/nfs/dbraw/zinc/84/70/56/563847056.db2.gz	FCAXIMLOEHPSKC-HMAPJEAMSA-N	-1	1	348.402	3.971	50	30		EHEAMM
CCCCCCCN1c2ccccc2C(=C2SC(=O)[N-]C2=O)C1=O	ZINC000001808260	564087871	/nfs/dbraw/zinc/08/78/71/564087871.db2.gz	PYFFEXJOSFNURY-PFONDFGASA-N	-1	1	344.436	3.698	50	30		EHEAMM
CCc1ccc(-c2cc(C(=O)Nc3nnn[n-]3)c3ccccc3n2)cc1	ZINC000006225510	563561712	/nfs/dbraw/zinc/56/17/12/563561712.db2.gz	YRFBQDTZMNFUKN-UHFFFAOYSA-N	-1	1	344.378	3.614	50	30		EHEAMM
CCc1ccc(-c2cc(C(=O)Nc3nn[n-]n3)c3ccccc3n2)cc1	ZINC000006225510	563561713	/nfs/dbraw/zinc/56/17/13/563561713.db2.gz	YRFBQDTZMNFUKN-UHFFFAOYSA-N	-1	1	344.378	3.614	50	30		EHEAMM
Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)c3cc[nH]c3)cc2)n1	ZINC000079014711	564091723	/nfs/dbraw/zinc/09/17/23/564091723.db2.gz	IZMDMNTYKOFUEE-HNNXBMFYSA-N	-1	1	335.388	3.501	50	30		EHEAMM
N#CC(=C([O-])C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1	ZINC000065519321	564106844	/nfs/dbraw/zinc/10/68/44/564106844.db2.gz	JZXKLPKMJHYVKI-AWEZNQCLSA-N	-1	1	344.292	3.753	50	30		EHEAMM
O=C(NCc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-]	ZINC000036739635	213115312	/nfs/dbraw/zinc/11/53/12/213115312.db2.gz	CTQDYLSUWURJMN-UHFFFAOYSA-N	-1	1	331.803	3.546	50	30		EHEAMM
CCCCCCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000002768344	563450260	/nfs/dbraw/zinc/45/02/60/563450260.db2.gz	FELQIYPBTCCPET-UHFFFAOYSA-N	-1	1	326.462	3.548	50	30		EHEAMM
CCCCCCCCNC([O-])=NS(=O)(=O)c1ccc(C)cc1	ZINC000002768344	563450261	/nfs/dbraw/zinc/45/02/61/563450261.db2.gz	FELQIYPBTCCPET-UHFFFAOYSA-N	-1	1	326.462	3.548	50	30		EHEAMM
Cc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2C2CCCCC2)cc1	ZINC000028050597	563901429	/nfs/dbraw/zinc/90/14/29/563901429.db2.gz	LSOXDQJUHUWWCK-MJWGMMHASA-N	-1	1	346.452	3.734	50	30		EHEAMM
COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)cc(OC)c1OC	ZINC000060340071	563931585	/nfs/dbraw/zinc/93/15/85/563931585.db2.gz	XOIJNIIJBGOSRE-RIYZIHGNSA-N	-1	1	340.375	3.631	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2sc3ccccc3c2Cl)c(=O)o1	ZINC000102500586	1137689277	/nfs/dbraw/zinc/68/92/77/1137689277.db2.gz	UBOCCRWZXWRJFJ-LFAOLKIESA-N	-1	1	346.791	3.783	50	30		EHEAMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2	ZINC000009482774	211090556	/nfs/dbraw/zinc/09/05/56/211090556.db2.gz	MZWKMBUAASOXHD-WCSRMQSCSA-N	-1	1	344.750	3.837	50	30		EHEAMM
N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccco1	ZINC000103503459	564022527	/nfs/dbraw/zinc/02/25/27/564022527.db2.gz	XKRKTVXDSIEKQV-LLVKDONJSA-N	-1	1	336.319	3.555	50	30		EHEAMM
O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1[O-]	ZINC000013143831	564133822	/nfs/dbraw/zinc/13/38/22/564133822.db2.gz	OOYSLGQXDWEJJM-MRXNPFEDSA-N	-1	1	340.770	3.686	50	30		EHEAMM
O=S(=O)([N-]c1cccc(C#Cc2cccs2)c1)c1ccccc1	ZINC000023054810	212344936	/nfs/dbraw/zinc/34/49/36/212344936.db2.gz	DMVSCJXTYGCSMK-UHFFFAOYSA-N	-1	1	339.441	3.949	50	30		EHEAMM
CC[C@@H](C(=O)Nc1nn2c([n-]1)nc(C)c(Cl)c2=O)c1ccccc1	ZINC000008914652	211017055	/nfs/dbraw/zinc/01/70/55/211017055.db2.gz	NAOUJJDSFDKRFC-LLVKDONJSA-N	-1	1	345.790	3.574	50	30		EHEAMM
C=C(C)Cc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)[n-]c1=O	ZINC000013468318	258017044	/nfs/dbraw/zinc/01/70/44/258017044.db2.gz	GIUTUPMTKMJWOH-UHFFFAOYSA-N	-1	1	348.855	3.825	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(-c3cccs3)cs2)c(=O)o1	ZINC000102500634	564020095	/nfs/dbraw/zinc/02/00/95/564020095.db2.gz	WGPZIAJQDAAMSK-APHBUQMISA-N	-1	1	344.413	3.705	50	30		EHEAMM
C=CCn1c([O-])c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21	ZINC000005730732	564024610	/nfs/dbraw/zinc/02/46/10/564024610.db2.gz	JFVSCRHJJGQXNO-UHFFFAOYSA-N	-1	1	348.402	3.762	50	30		EHEAMM
COC(=O)c1nc[nH]c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000328589938	564136689	/nfs/dbraw/zinc/13/66/89/564136689.db2.gz	VBPDGPBWDBBZMM-LLVKDONJSA-N	-1	1	345.399	3.549	50	30		EHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc(C)cc2C)c1	ZINC000101355574	219124543	/nfs/dbraw/zinc/12/45/43/219124543.db2.gz	OQUWCXJAVSVBIN-WQRHYEAKSA-N	-1	1	325.364	3.575	50	30		EHEAMM
CSc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(C)ccc2C)o1	ZINC000101093343	564018836	/nfs/dbraw/zinc/01/88/36/564018836.db2.gz	LSQAXXZHKNTTAV-LBPRGKRZSA-N	-1	1	328.393	3.580	50	30		EHEAMM
CCn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c2cc(OC)ccc21	ZINC000026439502	564082213	/nfs/dbraw/zinc/08/22/13/564082213.db2.gz	PQUZJYJVDVRAQO-UWVJOHFNSA-N	-1	1	335.359	3.992	50	30		EHEAMM
O=C([O-])C(=CC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1	ZINC000002279010	1018773792	/nfs/dbraw/zinc/77/37/92/1018773792.db2.gz	FDQUQEBNKBRCIW-GXDHUFHOSA-N	-1	1	335.281	3.969	50	30		EHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1	ZINC000003343770	210013024	/nfs/dbraw/zinc/01/30/24/210013024.db2.gz	URRNOBQIKVXNQJ-UHFFFAOYSA-N	-1	1	348.427	3.950	50	30		EHEAMM
Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(F)cc2Cl)c1	ZINC000103504046	219308384	/nfs/dbraw/zinc/30/83/84/219308384.db2.gz	OMXSWNJENWVGOQ-AWEZNQCLSA-N	-1	1	330.746	3.749	50	30		EHEAMM
C=CCn1c([C@@H](CCCC)C[C@H](O)COCC(C)C)n[n-]c1=S	ZINC000005737151	519259383	/nfs/dbraw/zinc/25/93/83/519259383.db2.gz	YMMCAWZUKOBVRL-GJZGRUSLSA-N	-1	1	341.521	3.824	50	30		EHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2cccc(C)c2C)c1	ZINC000101355533	564019391	/nfs/dbraw/zinc/01/93/91/564019391.db2.gz	VLYPSUIRUDSZLS-WQRHYEAKSA-N	-1	1	325.364	3.575	50	30		EHEAMM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Cl)c2)cc1	ZINC000191374747	564085791	/nfs/dbraw/zinc/08/57/91/564085791.db2.gz	UUEADNBTRORXQZ-CYBMUJFWSA-N	-1	1	332.812	3.925	50	30		EHEAMM
CCCCCOc1ccc(C=Nn2c(C)n[n-]c2=S)cc1OC	ZINC000006066972	258051673	/nfs/dbraw/zinc/05/16/73/258051673.db2.gz	AWYLNHGSMTYZRV-GZTJUZNOSA-N	-1	1	334.445	3.709	50	30		EHEAMM
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)C2	ZINC000095474701	564141358	/nfs/dbraw/zinc/14/13/58/564141358.db2.gz	HVSZSXIMNUHYBA-XGICHPGQSA-N	-1	1	330.767	3.885	50	30		EHEAMM
CSc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(C)ccc2C)o1	ZINC000101093347	564018820	/nfs/dbraw/zinc/01/88/20/564018820.db2.gz	LSQAXXZHKNTTAV-GFCCVEGCSA-N	-1	1	328.393	3.580	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(-c3cccs3)cs2)c(=O)o1	ZINC000104401597	564023875	/nfs/dbraw/zinc/02/38/75/564023875.db2.gz	WGPZIAJQDAAMSK-YIEVGGLXSA-N	-1	1	344.413	3.705	50	30		EHEAMM
CON=C(C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000252623350	564122962	/nfs/dbraw/zinc/12/29/62/564122962.db2.gz	OPBFYSZROHITQM-UHFFFAOYSA-N	-1	1	334.375	3.581	50	30		EHEAMM
COc1cc(C=Nc2oc(C)c(C)c2C#N)cc(Br)c1[O-]	ZINC000252627090	564123378	/nfs/dbraw/zinc/12/33/78/564123378.db2.gz	RLXKVQHQPBULGA-UHFFFAOYSA-N	-1	1	349.184	3.995	50	30		EHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1C)CC(=O)N2	ZINC000021784200	212248558	/nfs/dbraw/zinc/24/85/58/212248558.db2.gz	UJUBFMOEZVPVEZ-ZDUSSCGKSA-N	-1	1	341.436	3.551	50	30		EHEAMM
C=CCn1c([C@H](CCCC)C[C@H](O)COCCC)n[n-]c1=S	ZINC000005737233	519259213	/nfs/dbraw/zinc/25/92/13/519259213.db2.gz	SFTZVLUIESDDRA-KGLIPLIRSA-N	-1	1	327.494	3.578	50	30		EHEAMM
O=C1c2ccc([O-])cc2CC/C1=C\c1cnn(Cc2ccccc2)c1	ZINC000058411788	563945262	/nfs/dbraw/zinc/94/52/62/563945262.db2.gz	JEHRYXSQSUQUGC-VCHYOVAHSA-N	-1	1	330.387	3.850	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2sc3ccccc3c2Cl)c(=O)o1	ZINC000105328963	1139325213	/nfs/dbraw/zinc/32/52/13/1139325213.db2.gz	UBOCCRWZXWRJFJ-IDTUSYRASA-N	-1	1	346.791	3.783	50	30		EHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccc(F)c(Cl)c2)c1	ZINC000101355561	563983017	/nfs/dbraw/zinc/98/30/17/563983017.db2.gz	LELZHVCGDVFXQO-SXGWCWSVSA-N	-1	1	349.745	3.751	50	30		EHEAMM
Cc1csc(C(C#N)=C([O-])c2cccc(OCc3cccnc3)c2)n1	ZINC000073087274	563994773	/nfs/dbraw/zinc/99/47/73/563994773.db2.gz	ZQFMKYWHLFSDNW-QGZVFWFLSA-N	-1	1	349.415	3.916	50	30		EHEAMM
N#CC(=C([O-])c1ccc(Br)s1)c1nc2ccccc2[nH]1	ZINC000012542535	564058719	/nfs/dbraw/zinc/05/87/19/564058719.db2.gz	ONDARKWTWSMGQK-MRVPVSSYSA-N	-1	1	346.209	3.877	50	30		EHEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1F)O2	ZINC000020573245	212148562	/nfs/dbraw/zinc/14/85/62/212148562.db2.gz	KLYAORNCAOLEDM-SXGWCWSVSA-N	-1	1	327.355	3.518	50	30		EHEAMM
Fc1ccccc1COc1ccccc1C=Nn1cn[n-]c1=S	ZINC000005522489	526412146	/nfs/dbraw/zinc/41/21/46/526412146.db2.gz	CDRADSBKFUTDDH-DJKKODMXSA-N	-1	1	328.372	3.541	50	30		EHEAMM
O=C([N-]CCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002773535	563614218	/nfs/dbraw/zinc/61/42/18/563614218.db2.gz	WSLOVKUTYAQMOA-UHFFFAOYSA-N	-1	1	331.231	3.568	50	30		EHEAMM
Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)c3cc[nH]c3)cc2)n1	ZINC000079014714	564091709	/nfs/dbraw/zinc/09/17/09/564091709.db2.gz	IZMDMNTYKOFUEE-OAHLLOKOSA-N	-1	1	335.388	3.501	50	30		EHEAMM
N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1Cl	ZINC000010514979	211178660	/nfs/dbraw/zinc/17/86/60/211178660.db2.gz	DBTXWZZYRNOKQA-UHFFFAOYSA-N	-1	1	346.839	3.891	50	30		EHEAMM
CCO/N=C(/C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000013122135	563689004	/nfs/dbraw/zinc/68/90/04/563689004.db2.gz	HZNNYOXGMYTDFA-JCMHNJIXSA-N	-1	1	348.402	3.971	50	30		EHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2cccc(Cl)c2)c1	ZINC000101355544	564019388	/nfs/dbraw/zinc/01/93/88/564019388.db2.gz	NQVCGNOSJIMTQO-YBEGLDIGSA-N	-1	1	331.755	3.612	50	30		EHEAMM
C=CCn1c([C@@H](CCCC)C[C@H](O)COCCC)n[n-]c1=S	ZINC000005737153	519259578	/nfs/dbraw/zinc/25/95/78/519259578.db2.gz	SFTZVLUIESDDRA-KBPBESRZSA-N	-1	1	327.494	3.578	50	30		EHEAMM
CCOc1ccc(C(=O)C=C(Nc2cccc(C)c2)C(=O)[O-])cc1	ZINC000004636171	520871308	/nfs/dbraw/zinc/87/13/08/520871308.db2.gz	GQZCFFQRRLJXCV-SFQUDFHCSA-N	-1	1	325.364	3.657	50	30		EHEAMM
Cc1ccc(C(=O)OC/C(=N\[O-])c2ccc(Br)cc2)cc1	ZINC000102519910	564020246	/nfs/dbraw/zinc/02/02/46/564020246.db2.gz	QXNXSOSWFHUWSN-OBGWFSINSA-N	-1	1	348.196	3.793	50	30		EHEAMM
COc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OCC#N	ZINC000075278412	564081384	/nfs/dbraw/zinc/08/13/84/564081384.db2.gz	CHEUFWOVZKONJU-POHAHGRESA-N	-1	1	340.813	3.580	50	30		EHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1	ZINC000006948974	564102114	/nfs/dbraw/zinc/10/21/14/564102114.db2.gz	AAAZOVWWSBDXME-UHFFFAOYSA-N	-1	1	327.192	3.666	50	30		EHEAMM
N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccccc1Cl	ZINC000103504352	219309389	/nfs/dbraw/zinc/30/93/89/219309389.db2.gz	KAFJSDYBYKBZDC-LLVKDONJSA-N	-1	1	333.174	3.955	50	30		EHEAMM
Cc1nc(SCc2ccc(C#N)cc2)[n-]c(=O)c1Cc1ccccc1	ZINC000011905604	211266885	/nfs/dbraw/zinc/26/68/85/211266885.db2.gz	JAWSCYHXBNUBKE-UHFFFAOYSA-N	-1	1	347.443	3.833	50	30		EHEAMM
CSc1cccc(NC(=O)N(Cc2ccccc2)C([O-])=CC#N)c1	ZINC000000170824	258047783	/nfs/dbraw/zinc/04/77/83/258047783.db2.gz	QYOLSRZCTTWGBV-UHFFFAOYSA-N	-1	1	339.420	3.883	50	30		EHEAMM
Cc1cccc(CSCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000026255210	524456657	/nfs/dbraw/zinc/45/66/57/524456657.db2.gz	AGEODBBGVGFOJT-UHFFFAOYSA-N	-1	1	330.335	3.653	50	30		EHEAMM
O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000005818932	563551475	/nfs/dbraw/zinc/55/14/75/563551475.db2.gz	SYDKXZKEYXLAOO-LBPRGKRZSA-N	-1	1	343.383	3.548	50	30		EHEAMM
Cc1ccc(-c2cc(C(=O)Nc3nnn[n-]3)c3ccccc3n2)c(C)c1	ZINC000008549704	564165644	/nfs/dbraw/zinc/16/56/44/564165644.db2.gz	FTGNTKYSUMCBFL-UHFFFAOYSA-N	-1	1	344.378	3.668	50	30		EHEAMM
Cc1ccc(-c2cc(C(=O)Nc3nn[n-]n3)c3ccccc3n2)c(C)c1	ZINC000008549704	564165645	/nfs/dbraw/zinc/16/56/45/564165645.db2.gz	FTGNTKYSUMCBFL-UHFFFAOYSA-N	-1	1	344.378	3.668	50	30		EHEAMM
CSc1nnc(-c2ccccc2)n1/N=C/c1cc([O-])ccc1Cl	ZINC000000365796	209553584	/nfs/dbraw/zinc/55/35/84/209553584.db2.gz	BYYJJTDUKBFYHT-VCHYOVAHSA-N	-1	1	344.827	3.908	50	30		EHEAMM
CCCc1ccc(N[C@@H](c2cccc(C#N)c2)[P@](=O)([O-])O)cc1	ZINC000012523584	211397649	/nfs/dbraw/zinc/39/76/49/211397649.db2.gz	PZLLRDLFNHKFFP-QGZVFWFLSA-N	-1	1	330.324	3.799	50	30		EHEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1	ZINC000012536246	258054488	/nfs/dbraw/zinc/05/44/88/258054488.db2.gz	ZPOOHRCVULEYJI-UHFFFAOYSA-N	-1	1	342.420	3.680	50	30		EHEAMM
O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000005818939	563551464	/nfs/dbraw/zinc/55/14/64/563551464.db2.gz	SYDKXZKEYXLAOO-GFCCVEGCSA-N	-1	1	343.383	3.548	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(-c3cccs3)cs2)c(=O)o1	ZINC000104401594	564023871	/nfs/dbraw/zinc/02/38/71/564023871.db2.gz	WGPZIAJQDAAMSK-AWFCHZOYSA-N	-1	1	344.413	3.705	50	30		EHEAMM
Cc1ccc(C=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000252612415	564121849	/nfs/dbraw/zinc/12/18/49/564121849.db2.gz	ISQIGZKHVAHODC-UHFFFAOYSA-N	-1	1	343.235	3.614	50	30		EHEAMM
N#CC(=C([O-])c1ccc(Br)s1)c1nc2ccccc2[nH]1	ZINC000003164082	564155547	/nfs/dbraw/zinc/15/55/47/564155547.db2.gz	ONDARKWTWSMGQK-QMMMGPOBSA-N	-1	1	346.209	3.877	50	30		EHEAMM
Cn1c(C(C#N)=C([O-])c2sccc2C2CC2)nnc1-c1ccccc1	ZINC000069810073	564172237	/nfs/dbraw/zinc/17/22/37/564172237.db2.gz	JAMSRTRJXGMRGJ-OAHLLOKOSA-N	-1	1	348.431	3.911	50	30		EHEAMM
Cc1n[nH]cc1-c1nnc([N-]C(=O)c2coc(C3CCCC3)n2)s1	ZINC000328753083	1022480060	/nfs/dbraw/zinc/48/00/60/1022480060.db2.gz	SCEVUXHXIYSDJS-UHFFFAOYSA-N	-1	1	344.400	3.519	50	30		EHEAMM
Cc1ccc(CSCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036714152	213112511	/nfs/dbraw/zinc/11/25/11/213112511.db2.gz	SKMIYRMXQGPUTP-UHFFFAOYSA-N	-1	1	330.335	3.653	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000020533454	212145047	/nfs/dbraw/zinc/14/50/47/212145047.db2.gz	NCMMASTUHGZBRF-PXNMLYILSA-N	-1	1	347.773	3.863	50	30		EHEAMM
N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccco1	ZINC000103503462	564022556	/nfs/dbraw/zinc/02/25/56/564022556.db2.gz	XKRKTVXDSIEKQV-NSHDSACASA-N	-1	1	336.319	3.555	50	30		EHEAMM
C=CCn1c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000011650771	211229950	/nfs/dbraw/zinc/22/99/50/211229950.db2.gz	FWTRWRNJDMGWQN-UHFFFAOYSA-N	-1	1	340.404	3.609	50	30		EHEAMM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C2CC2)cc1	ZINC000127848911	563973702	/nfs/dbraw/zinc/97/37/02/563973702.db2.gz	AXQWCIJRQLCERI-AWEZNQCLSA-N	-1	1	339.420	3.544	50	30		EHEAMM
CCc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[n-]2)cc1	ZINC000033906372	523870027	/nfs/dbraw/zinc/87/00/27/523870027.db2.gz	RSHZUEHFYMKWDF-UCQKPKSFSA-N	-1	1	332.407	3.835	50	30		EHEAMM
CSc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)o1	ZINC000101093354	564018831	/nfs/dbraw/zinc/01/88/31/564018831.db2.gz	WAHYSTYSCZZKBQ-NSHDSACASA-N	-1	1	334.784	3.616	50	30		EHEAMM
Cc1ccsc1-c1nc([N-]C(=O)c2cc(-c3ccco3)on2)n[nH]1	ZINC000075141379	564080670	/nfs/dbraw/zinc/08/06/70/564080670.db2.gz	MMFJHPRRHZNICL-UHFFFAOYSA-N	-1	1	341.352	3.726	50	30		EHEAMM
CCCc1ccc([O-])c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1	ZINC000252617150	564122127	/nfs/dbraw/zinc/12/21/27/564122127.db2.gz	KNCRPWQIEUJKOQ-UHFFFAOYSA-N	-1	1	328.324	3.732	50	30		EHEAMM
Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc([O-])c(Br)c1)O2	ZINC000299738325	564150504	/nfs/dbraw/zinc/15/05/04/564150504.db2.gz	VWNPSPAYVTVDHQ-AUWJEWJLSA-N	-1	1	347.164	3.785	50	30		EHEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2C)cc(OC)c1OC	ZINC000004252611	210153655	/nfs/dbraw/zinc/15/36/55/210153655.db2.gz	FMIPBTOQJZBODT-VMPITWQZSA-N	-1	1	328.364	3.623	50	30		EHEAMM
O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1[O-]	ZINC000000208110	563260058	/nfs/dbraw/zinc/26/00/58/563260058.db2.gz	GVHRXQZYTMSTMZ-UHFFFAOYSA-N	-1	1	329.149	3.617	50	30		EHEAMM
C[C@H](SCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000048286614	564030679	/nfs/dbraw/zinc/03/06/79/564030679.db2.gz	PVMMGSNEMTWHNR-QMMMGPOBSA-N	-1	1	330.335	3.733	50	30		EHEAMM
Cn1c(C(C#N)=C([O-])c2sccc2C2CC2)nnc1-c1ccccc1	ZINC000069810072	564172266	/nfs/dbraw/zinc/17/22/66/564172266.db2.gz	JAMSRTRJXGMRGJ-HNNXBMFYSA-N	-1	1	348.431	3.911	50	30		EHEAMM
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000069900229	564172707	/nfs/dbraw/zinc/17/27/07/564172707.db2.gz	XOCXFRGBDSTATF-UHFFFAOYSA-N	-1	1	336.413	3.632	50	30		EHEAMM
COc1ccc2c(c1)c(/C=C1\Oc3cc([O-])cc(C)c3C1=O)cn2C	ZINC000023127140	212350320	/nfs/dbraw/zinc/35/03/20/212350320.db2.gz	SDZKUUQOLKDAGO-WSVATBPTSA-N	-1	1	335.359	3.817	50	30	biogenic	EHEAMM
O=C1CCCC2=C1C(c1ccc([O-])c(Cl)c1)C1=C(CCCC1=O)N2	ZINC000019973819	212092446	/nfs/dbraw/zinc/09/24/46/212092446.db2.gz	XDIFOCXAVBIXCE-UHFFFAOYSA-N	-1	1	343.810	3.747	50	30		EHEAMM
C=CCOc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1	ZINC000012904216	519031832	/nfs/dbraw/zinc/03/18/32/519031832.db2.gz	AQBGBNIHCKMUFN-UHFFFAOYSA-N	-1	1	341.436	3.594	50	30		EHEAMM
Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2[O-])n1	ZINC000004752008	525043710	/nfs/dbraw/zinc/04/37/10/525043710.db2.gz	KYMBKWAZEOIIHI-YBFXNURJSA-N	-1	1	349.350	3.512	50	30		EHEAMM
O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1[O-]	ZINC000013143830	564133803	/nfs/dbraw/zinc/13/38/03/564133803.db2.gz	OOYSLGQXDWEJJM-INIZCTEOSA-N	-1	1	340.770	3.686	50	30		EHEAMM
CCc1ccc(NC(=O)C([O-])=CC(=O)c2cccc(OC)c2)cc1	ZINC000101355527	219124449	/nfs/dbraw/zinc/12/44/49/219124449.db2.gz	MCAKCKRHMNLSHH-PDGQHHTCSA-N	-1	1	325.364	3.521	50	30		EHEAMM
C[C@@H](SCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000048286615	564030705	/nfs/dbraw/zinc/03/07/05/564030705.db2.gz	PVMMGSNEMTWHNR-MRVPVSSYSA-N	-1	1	330.335	3.733	50	30		EHEAMM
Cn1ccnc1COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1	ZINC000044012707	527437317	/nfs/dbraw/zinc/43/73/17/527437317.db2.gz	REGUDYSWSXFUDT-NYYWCZLTSA-N	-1	1	334.375	3.601	50	30		EHEAMM
CSc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)o1	ZINC000101093349	564018806	/nfs/dbraw/zinc/01/88/06/564018806.db2.gz	WAHYSTYSCZZKBQ-LLVKDONJSA-N	-1	1	334.784	3.616	50	30		EHEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1cnn(Cc2ccccc2)c1	ZINC000096402133	564147105	/nfs/dbraw/zinc/14/71/05/564147105.db2.gz	JEHRYXSQSUQUGC-ZDLGFXPLSA-N	-1	1	330.387	3.850	50	30		EHEAMM
COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1OC(F)F	ZINC000014240801	1038721641	/nfs/dbraw/zinc/72/16/41/1038721641.db2.gz	BREJAJOZIYDLAE-CHHVJCJISA-N	-1	1	334.274	3.618	50	30		EHEAMM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc2nc(C3CC3)[nH]c2c1	ZINC000828327196	1140132381	/nfs/dbraw/zinc/13/23/81/1140132381.db2.gz	IKWZOQBVQYDOSA-GXDHUFHOSA-N	-1	1	345.358	3.538	50	30		EHEAMM
COc1cc(/C=N/[O-])c(Br)cc1OCc1ccccc1	ZINC000100983024	219113095	/nfs/dbraw/zinc/11/30/95/219113095.db2.gz	HMEUQDIDYJFNBI-RQZCQDPDSA-N	-1	1	336.185	3.845	50	30		EHEAMM
CC(=NNc1ccc(C(C)(C)C)cc1)c1ccc([O-])c(C(N)=O)c1	ZINC000003908901	210091697	/nfs/dbraw/zinc/09/16/97/210091697.db2.gz	ALWAGZPEYALIHD-MTJSOVHGSA-N	-1	1	325.412	3.625	50	30		EHEAMM
COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(Cl)c1OC	ZINC000014240803	1038721325	/nfs/dbraw/zinc/72/13/25/1038721325.db2.gz	KMFHCWLPRAOZBL-NSIKDUERSA-N	-1	1	332.739	3.679	50	30		EHEAMM
O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2c(c1)OCO2	ZINC000014244381	1038726873	/nfs/dbraw/zinc/72/68/73/1038726873.db2.gz	VBBVTYBBOLABID-DAFODLJHSA-N	-1	1	347.164	3.780	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000020650415	212160330	/nfs/dbraw/zinc/16/03/30/212160330.db2.gz	RHINQRBCRDNFRI-VXLYETTFSA-N	-1	1	348.402	3.562	50	30		EHEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2	ZINC000020573541	212148676	/nfs/dbraw/zinc/14/86/76/212148676.db2.gz	IVLGOVLZKJMXOC-SXGWCWSVSA-N	-1	1	327.355	3.518	50	30		EHEAMM
CCOC(=O)NC([N-]c1cccc(F)c1)(C(F)(F)F)C(F)(F)F	ZINC000001644562	564081988	/nfs/dbraw/zinc/08/19/88/564081988.db2.gz	KGMLTQCQTSEXKL-UHFFFAOYSA-N	-1	1	348.218	3.805	50	30		EHEAMM
COC(=O)c1ccc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1	ZINC000091208578	564087459	/nfs/dbraw/zinc/08/74/59/564087459.db2.gz	OAGSKAADTJLGQK-UHFFFAOYSA-N	-1	1	332.381	3.549	50	30		EHEAMM
Cn1ccnc1COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1	ZINC000098054922	1039382179	/nfs/dbraw/zinc/38/21/79/1039382179.db2.gz	REGUDYSWSXFUDT-WCIBSUBMSA-N	-1	1	334.375	3.601	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2sc3ccccc3c2Cl)c(=O)o1	ZINC000105328959	1139324694	/nfs/dbraw/zinc/32/46/94/1139324694.db2.gz	UBOCCRWZXWRJFJ-XHPSBEMXSA-N	-1	1	346.791	3.783	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Cl)c1)O2	ZINC000020519554	212142255	/nfs/dbraw/zinc/14/22/55/212142255.db2.gz	YHUWNADWUSZXNP-SXGWCWSVSA-N	-1	1	329.783	3.723	50	30		EHEAMM
N#Cc1cccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c12	ZINC000005945652	210565749	/nfs/dbraw/zinc/56/57/49/210565749.db2.gz	HCJLCALLFASDDV-UHFFFAOYSA-N	-1	1	326.352	3.651	50	30		EHEAMM
CCc1ccc(S(=O)(=O)/C(C#N)=N/[N-]c2ccc(Cl)cc2)cc1	ZINC000096511625	563980819	/nfs/dbraw/zinc/98/08/19/563980819.db2.gz	BUKFEVUEEZTHNK-CAPFRKAQSA-N	-1	1	347.827	3.625	50	30		EHEAMM
C=CCn1c([C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n[n-]c1=S	ZINC000006556700	564070782	/nfs/dbraw/zinc/07/07/82/564070782.db2.gz	FNTGOZDOXJPMIT-AWEZNQCLSA-N	-1	1	330.457	3.562	50	30		EHEAMM
N#CCCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004176923	526463401	/nfs/dbraw/zinc/46/34/01/526463401.db2.gz	AOGNLZYXKARXPL-UHFFFAOYSA-N	-1	1	333.394	3.914	50	30		EHEAMM
Cc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2C2CCCCC2)cc1	ZINC000018097364	563848628	/nfs/dbraw/zinc/84/86/28/563848628.db2.gz	LSOXDQJUHUWWCK-AMGRQBIBSA-N	-1	1	346.452	3.734	50	30		EHEAMM
COc1cc(/C=C2\Oc3ccccc3C2=O)cc(Br)c1[O-]	ZINC000299738330	564150499	/nfs/dbraw/zinc/15/04/99/564150499.db2.gz	WJARZTVRPULCDC-ZSOIEALJSA-N	-1	1	347.164	3.780	50	30		EHEAMM
N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccccc1Cl	ZINC000103504356	219309135	/nfs/dbraw/zinc/30/91/35/219309135.db2.gz	KAFJSDYBYKBZDC-NSHDSACASA-N	-1	1	333.174	3.955	50	30		EHEAMM
CO/N=C(/C)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000006492838	563569920	/nfs/dbraw/zinc/56/99/20/563569920.db2.gz	OPBFYSZROHITQM-STZFKDTASA-N	-1	1	334.375	3.581	50	30		EHEAMM
N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1	ZINC000041501623	564173935	/nfs/dbraw/zinc/17/39/35/564173935.db2.gz	CAEMIJXXVNZZLR-ZDUSSCGKSA-N	-1	1	347.399	3.671	50	30		EHEAMM
CCCCCC(CCCCC)=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004189864	210142673	/nfs/dbraw/zinc/14/26/73/210142673.db2.gz	UQBIGGSCAZODRH-CYBMUJFWSA-N	-1	1	341.477	3.565	50	30		EHEAMM
COc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1OC(F)F	ZINC000022016519	212270358	/nfs/dbraw/zinc/27/03/58/212270358.db2.gz	QPGOZADRXKIVGZ-AUWJEWJLSA-N	-1	1	334.274	3.618	50	30		EHEAMM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(Cl)c3)nc1-2	ZINC000104185511	564023765	/nfs/dbraw/zinc/02/37/65/564023765.db2.gz	ZRRSRVGOFULGQS-GEXIGZQTSA-N	-1	1	336.782	3.809	50	30		EHEAMM
O=S(=O)([N-]c1ccc(C#Cc2ccccc2)cc1)c1ccccc1	ZINC000001384309	564074666	/nfs/dbraw/zinc/07/46/66/564074666.db2.gz	WHSZDJUYPVZWKM-UHFFFAOYSA-N	-1	1	333.412	3.887	50	30		EHEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccc(N)c3)cc2)c1	ZINC000071710419	564175153	/nfs/dbraw/zinc/17/51/53/564175153.db2.gz	WMJKGVSIOVANDK-UHFFFAOYSA-N	-1	1	349.415	3.608	50	30		EHEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2c(C)cccc2C)c1	ZINC000101355548	219124131	/nfs/dbraw/zinc/12/41/31/219124131.db2.gz	OHQHVGLNEUFOPR-BOPFTXTBSA-N	-1	1	325.364	3.575	50	30		EHEAMM
CC1=CC(C)(C)N(C)c2ccc(-c3[nH]c(=S)[n-]c(=O)c3C#N)cc21	ZINC000169681364	564098174	/nfs/dbraw/zinc/09/81/74/564098174.db2.gz	RULWRXJNTTWJJR-UHFFFAOYSA-N	-1	1	338.436	3.603	50	30		EHEAMM
Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(F)cc2Cl)c1	ZINC000103504050	219308181	/nfs/dbraw/zinc/30/81/81/219308181.db2.gz	OMXSWNJENWVGOQ-CQSZACIVSA-N	-1	1	330.746	3.749	50	30		EHEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C\c1ccc(F)cc1)O2	ZINC000037857560	213171628	/nfs/dbraw/zinc/17/16/28/213171628.db2.gz	IVLGOVLZKJMXOC-CXUHLZMHSA-N	-1	1	327.355	3.518	50	30		EHEAMM
Cc1n[nH]c(C)c1-c1cc(-c2ccc([O-])cc2Cl)c(C#N)c(N)n1	ZINC000071589680	563949873	/nfs/dbraw/zinc/94/98/73/563949873.db2.gz	WRYVLNSSKHGSIM-UHFFFAOYSA-N	-1	1	339.786	3.568	50	30		EHEAMM
Fc1cccc(Cl)c1C=N[N-]c1nnc2c3ccccc3[nH]c2n1	ZINC000006243914	563981188	/nfs/dbraw/zinc/98/11/88/563981188.db2.gz	JTVMHROZTHNLTD-UFWORHAWSA-N	-1	1	340.749	3.745	50	30		EHEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cc(Cl)cc2c1OCOC2	ZINC000004465338	210194558	/nfs/dbraw/zinc/19/45/58/210194558.db2.gz	KHLBVMJFRBMOOZ-WCSRMQSCSA-N	-1	1	330.723	3.528	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3)cc2)c(=O)o1	ZINC000003543721	210050825	/nfs/dbraw/zinc/05/08/25/210050825.db2.gz	AYDSXJQLMORBSH-RGFVMQALSA-N	-1	1	332.355	3.582	50	30		EHEAMM
N#CC(=C([O-])C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1	ZINC000065519325	564106831	/nfs/dbraw/zinc/10/68/31/564106831.db2.gz	JZXKLPKMJHYVKI-CQSZACIVSA-N	-1	1	344.292	3.753	50	30		EHEAMM
O=C1Nc2ccccc2C1=N[N-]c1c(F)c(F)c(Cl)c(F)c1F	ZINC000102734865	219226342	/nfs/dbraw/zinc/22/63/42/219226342.db2.gz	JJXHJNJFGLLZOE-UHFFFAOYSA-N	-1	1	343.667	3.665	50	30		EHEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c[nH]c3ccccc13)O2	ZINC000020649795	212160522	/nfs/dbraw/zinc/16/05/22/212160522.db2.gz	KQUXLUHGBFSLGI-NVMNQCDNSA-N	-1	1	334.375	3.551	50	30		EHEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(Br)c1O	ZINC000006639586	210666522	/nfs/dbraw/zinc/66/65/22/210666522.db2.gz	NKPBEUDNCITGOU-FARCUNLSSA-N	-1	1	349.180	3.765	50	30		EHEAMM
COc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cc(OC)c1OC	ZINC000096291734	564146439	/nfs/dbraw/zinc/14/64/39/564146439.db2.gz	XOIJNIIJBGOSRE-ZSOIEALJSA-N	-1	1	340.375	3.631	50	30		EHEAMM
N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1	ZINC000041501627	564173969	/nfs/dbraw/zinc/17/39/69/564173969.db2.gz	CAEMIJXXVNZZLR-CYBMUJFWSA-N	-1	1	347.399	3.671	50	30		EHEAMM
C=CCn1c([C@@H](CCCC)C[C@@H](O)COCCC)n[n-]c1=S	ZINC000005737159	519259692	/nfs/dbraw/zinc/25/96/92/519259692.db2.gz	SFTZVLUIESDDRA-UONOGXRCSA-N	-1	1	327.494	3.578	50	30		EHEAMM
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000005602346	564006281	/nfs/dbraw/zinc/00/62/81/564006281.db2.gz	LTDOGIFRPIPDRY-UHFFFAOYSA-N	-1	1	328.437	3.965	50	30		EHEAMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000000140233	564012098	/nfs/dbraw/zinc/01/20/98/564012098.db2.gz	HHAHHVBAIRBUJO-UHFFFAOYSA-N	-1	1	326.204	3.776	50	30		EHEAMM
CCN(CC)c1ccc(/C=C2/Oc3c(ccc([O-])c3O)C2=O)cc1	ZINC000027436162	568422259	/nfs/dbraw/zinc/42/22/59/568422259.db2.gz	FIJOFUUQGBYKPA-LFIBNONCSA-N	-1	1	325.364	3.560	50	30		EHEAMM
CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(OC)c(OC)c1	ZINC000263631217	1019947026	/nfs/dbraw/zinc/94/70/26/1019947026.db2.gz	GMVINSXURQUDPA-UHFFFAOYSA-N	-1	1	328.368	3.628	50	30		EHEAMM
CCCCCC(CCCCC)=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004189862	210142582	/nfs/dbraw/zinc/14/25/82/210142582.db2.gz	UQBIGGSCAZODRH-ZDUSSCGKSA-N	-1	1	341.477	3.565	50	30		EHEAMM
Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036744108	213115729	/nfs/dbraw/zinc/11/57/29/213115729.db2.gz	ODMCEIIDMFEVDA-UHFFFAOYSA-N	-1	1	341.268	3.583	50	30		EHEAMM
CSc1ccc(NC(=O)N(Cc2ccccc2)C([O-])=CC#N)cc1	ZINC000000170902	209461725	/nfs/dbraw/zinc/46/17/25/209461725.db2.gz	KSRASSYXJVRZRN-UHFFFAOYSA-N	-1	1	339.420	3.883	50	30		EHEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1cc(Cl)c2c(c1)OCCCO2	ZINC000023043308	212344285	/nfs/dbraw/zinc/34/42/85/212344285.db2.gz	HOFCEHWSGPTYCF-VIZOYTHASA-N	-1	1	344.750	3.823	50	30		EHEAMM
C=CCn1c([C@@H](CCCC)C[C@@H](O)COCC(C)C)n[n-]c1=S	ZINC000005737156	519259895	/nfs/dbraw/zinc/25/98/95/519259895.db2.gz	YMMCAWZUKOBVRL-LSDHHAIUSA-N	-1	1	341.521	3.824	50	30		EHEAMM
COc1cc(/C=C2\Oc3c(ccc(O)c3C)C2=O)cc(Cl)c1[O-]	ZINC000299738360	564150508	/nfs/dbraw/zinc/15/05/08/564150508.db2.gz	ZYYNHAABAWHTBC-AUWJEWJLSA-N	-1	1	332.739	3.684	50	30		EHEAMM
N#Cc1c([N-]C(=O)c2cc(-c3ccco3)on2)sc2c1CCC2	ZINC000002602350	564151116	/nfs/dbraw/zinc/15/11/16/564151116.db2.gz	AKGAVXOGUJOGLH-UHFFFAOYSA-N	-1	1	325.349	3.609	50	30		EHEAMM
Cc1cc([O-])c(C(=O)C=Cc2sc3ccccc3c2Cl)c(=O)o1	ZINC000102500591	1137689275	/nfs/dbraw/zinc/68/92/75/1137689275.db2.gz	UBOCCRWZXWRJFJ-LQYUOIDQSA-N	-1	1	346.791	3.783	50	30		EHEAMM
Cc1nn(-c2ccccc2)c(C)c1/C=C1/Oc2cc([O-])ccc2C1=O	ZINC000102912131	1137825243	/nfs/dbraw/zinc/82/52/43/1137825243.db2.gz	WBQCMMMBAVQGSJ-YBFXNURJSA-N	-1	1	332.359	3.811	50	30		EHEAMM
Cc1c(-c2ccccn2)nc(N)c(C#N)c1-c1ccc([O-])cc1Cl	ZINC000071748747	563982980	/nfs/dbraw/zinc/98/29/80/563982980.db2.gz	OXONKSVDTLTJBB-UHFFFAOYSA-N	-1	1	336.782	3.932	50	30		EHEAMM
CCc1c(C)sc([N-]C(=O)c2cc(-c3ccco3)on2)c1C#N	ZINC000002602349	564151136	/nfs/dbraw/zinc/15/11/36/564151136.db2.gz	RNRZWZBHGBGRSP-UHFFFAOYSA-N	-1	1	327.365	3.991	50	30		EHEAMM
C=CCc1cc(C=C2SC(=O)[N-]C2=O)cc(OCC)c1OCC	ZINC000001012922	564054077	/nfs/dbraw/zinc/05/40/77/564054077.db2.gz	OBEPRINDLGBFFL-GXDHUFHOSA-N	-1	1	333.409	3.536	50	30		EHEAMM
CC(C)c1nc2ccc(N=Cc3c([O-])c4ccccc4oc3=O)cc2[nH]1	ZINC000828327326	1140132683	/nfs/dbraw/zinc/13/26/83/1140132683.db2.gz	PHXSEKHCDKQOGY-GXDHUFHOSA-N	-1	1	347.374	3.784	50	30		EHEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1C)CC(=O)N2	ZINC000021784204	212249391	/nfs/dbraw/zinc/24/93/91/212249391.db2.gz	UJUBFMOEZVPVEZ-CYBMUJFWSA-N	-1	1	341.436	3.551	50	30		EHEAMM
CCCN(Cc1ccc(C#N)cc1)Cc1nc(=O)c2sccc2[n-]1	ZINC000012735787	211441794	/nfs/dbraw/zinc/44/17/94/211441794.db2.gz	CVYXRPRMYATCRS-UHFFFAOYSA-N	-1	1	338.436	3.681	50	30		EHEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000006509999	564091270	/nfs/dbraw/zinc/09/12/70/564091270.db2.gz	DXJIJYRGBHICAA-UHFFFAOYSA-N	-1	1	327.192	3.666	50	30		EHEAMM
COC(=O)c1nc[nH]c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000328589939	564136695	/nfs/dbraw/zinc/13/66/95/564136695.db2.gz	VBPDGPBWDBBZMM-NSHDSACASA-N	-1	1	345.399	3.549	50	30		EHEAMM
CCc1oc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1C	ZINC000101652895	568417290	/nfs/dbraw/zinc/41/72/90/568417290.db2.gz	QBJBMRFIUBVBNS-ZDUSSCGKSA-N	-1	1	330.771	3.765	50	30		EHEAMM
O=S(=O)(N=C([O-])Nc1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000026486626	563971820	/nfs/dbraw/zinc/97/18/20/563971820.db2.gz	AYBSOLKPMFRKCR-UHFFFAOYSA-N	-1	1	345.207	3.708	50	30		EHEAMM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	ZINC000026486626	563971819	/nfs/dbraw/zinc/97/18/19/563971819.db2.gz	AYBSOLKPMFRKCR-UHFFFAOYSA-N	-1	1	345.207	3.708	50	30		EHEAMM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Cl)c2)cc1	ZINC000191374732	564085800	/nfs/dbraw/zinc/08/58/00/564085800.db2.gz	UUEADNBTRORXQZ-ZDUSSCGKSA-N	-1	1	332.812	3.925	50	30		EHEAMM
C=CCOc1ccc([C@@H](NCc2ccc(C)cc2)[P@](=O)([O-])O)cc1	ZINC000012997548	564135829	/nfs/dbraw/zinc/13/58/29/564135829.db2.gz	QLEQSUMLLNEQRD-SFHVURJKSA-N	-1	1	347.351	3.526	50	30		EHEAMM
C=CCOc1ccc([C@H](NCc2ccc(C)cc2)[P@](=O)([O-])O)cc1	ZINC000012997547	564135879	/nfs/dbraw/zinc/13/58/79/564135879.db2.gz	QLEQSUMLLNEQRD-GOSISDBHSA-N	-1	1	347.351	3.526	50	30		EHEAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)cc1	ZINC000225553987	564149668	/nfs/dbraw/zinc/14/96/68/564149668.db2.gz	GEELMCOZJAMTMB-CYBMUJFWSA-N	-1	1	343.452	3.914	50	30		EHEAMM
Cc1csc(C(C#N)=C([O-])c2cccc(OCc3cccnc3)c2)n1	ZINC000073087273	563994783	/nfs/dbraw/zinc/99/47/83/563994783.db2.gz	ZQFMKYWHLFSDNW-KRWDZBQOSA-N	-1	1	349.415	3.916	50	30		EHEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc3ccccc32)cc1	ZINC000003257570	564058753	/nfs/dbraw/zinc/05/87/53/564058753.db2.gz	AGGHKNUIVOFYMO-UHFFFAOYSA-N	-1	1	340.404	3.863	50	30		EHEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccc3ccccc32)cc1	ZINC000003257570	564058754	/nfs/dbraw/zinc/05/87/54/564058754.db2.gz	AGGHKNUIVOFYMO-UHFFFAOYSA-N	-1	1	340.404	3.863	50	30		EHEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1)c1ccc(Br)cc1	ZINC000100223192	219095249	/nfs/dbraw/zinc/09/52/49/219095249.db2.gz	VLKXRBLLYPDQFY-GDNBJRDFSA-N	-1	1	346.180	3.712	50	30		EHEAMM
C=CCOc1ccc2ccccc2c1CNn1c(C)n[n-]c1=S	ZINC000006974140	564070837	/nfs/dbraw/zinc/07/08/37/564070837.db2.gz	MCUCZGMIZNCSPG-UHFFFAOYSA-N	-1	1	326.425	3.711	50	30		EHEAMM
O=C([O-])C(=CC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1	ZINC000100776824	219106722	/nfs/dbraw/zinc/10/67/22/219106722.db2.gz	FDQUQEBNKBRCIW-UVTDQMKNSA-N	-1	1	335.281	3.969	50	30		EHEAMM
CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)n1	ZINC000080455300	564140316	/nfs/dbraw/zinc/14/03/16/564140316.db2.gz	UASUIWMRPRVVOR-ZDUSSCGKSA-N	-1	1	339.420	3.641	50	30		EHEAMM