smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(N=C([N-]C(=O)C(C)(C)C)Nc2ccccc2)n1	ZINC000002291416	280455898	/nfs/dbraw/zinc/45/58/98/280455898.db2.gz	GVKYUWAZDGNSMI-UHFFFAOYSA-N	-1	3	325.416	3.355	50	30		EGEAHM
COc1cc(OC)c(/N=C/c2c([O-])c(C)ncc2CO)cc1Cl	ZINC000005110721	452838572	/nfs/dbraw/zinc/83/85/72/452838572.db2.gz	IBDDSMYCDNQIHN-FBCYGCLPSA-N	-1	3	336.775	3.009	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2cccc(F)c2)C1	ZINC000012390990	453359367	/nfs/dbraw/zinc/35/93/67/453359367.db2.gz	DMEFGPRJZJXBGQ-AWEZNQCLSA-N	-1	3	328.347	3.431	50	30		EGEAHM
CCn1cc(-c2cc(-c3ccc([O-])c(OC)c3)nc(N)c2C#N)c(C)n1	ZINC000067965341	453985104	/nfs/dbraw/zinc/98/51/04/453985104.db2.gz	MDSQJSCMUUZZNK-UHFFFAOYSA-N	-1	3	349.394	3.109	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1nc2ccccc2[nH]1	ZINC000018195627	278184422	/nfs/dbraw/zinc/18/44/22/278184422.db2.gz	FOMBPNJUOVFZHP-CQSZACIVSA-N	-1	3	349.394	3.192	50	30		EGEAHM
CSc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000012347185	453356193	/nfs/dbraw/zinc/35/61/93/453356193.db2.gz	PTJSGRZVMCHBPK-CYBMUJFWSA-N	-1	3	327.409	3.402	50	30		EGEAHM
COC(=O)c1ccc(C(=O)OC)c(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000044835779	454121353	/nfs/dbraw/zinc/12/13/53/454121353.db2.gz	MTKVAILQTQDNQB-DJKKODMXSA-N	-1	3	347.754	3.369	50	30		EGEAHM
C=CC[C@]1(C(=O)[O-])CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1	ZINC000092062021	454511103	/nfs/dbraw/zinc/51/11/03/454511103.db2.gz	IFSKGKYTJHMISS-IBGZPJMESA-N	-1	3	331.460	3.385	50	30		EGEAHM
O=C([O-])CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000001277566	304087379	/nfs/dbraw/zinc/08/73/79/304087379.db2.gz	YHPXYKMSQIMFLO-IAFNSTAXSA-N	-1	3	326.377	3.297	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccc(F)cc1	ZINC000018195581	453647545	/nfs/dbraw/zinc/64/75/45/453647545.db2.gz	HRJXVTDCLINUDZ-ZDUSSCGKSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@H]2c1ccc(F)cc1	ZINC000018195581	453647547	/nfs/dbraw/zinc/64/75/47/453647547.db2.gz	HRJXVTDCLINUDZ-ZDUSSCGKSA-N	-1	3	327.359	3.455	50	30		EGEAHM
O=C(Cn1ccc2ccc(F)cc21)Nc1n[n-]c([C@@H]2CCCO2)n1	ZINC000095480903	454221246	/nfs/dbraw/zinc/22/12/46/454221246.db2.gz	DPRDTHJSGGRBLI-ZDUSSCGKSA-N	-1	3	329.335	3.038	50	30		EGEAHM
COC(=O)c1ccccc1Sc1nc2sccn2c1/C=N\[O-]	ZINC000100926005	454468463	/nfs/dbraw/zinc/46/84/63/454468463.db2.gz	KFTJKVYLDYQBGJ-NVNXTCNLSA-N	-1	3	333.394	3.142	50	30		EGEAHM
N=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000020064258	202030766	/nfs/dbraw/zinc/03/07/66/202030766.db2.gz	UXMAJEXFVXBZSF-UHFFFAOYSA-N	-1	3	339.786	3.149	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1	ZINC000000079423	452500255	/nfs/dbraw/zinc/50/02/55/452500255.db2.gz	SHPLLJHOSVXHSP-OAHLLOKOSA-N	-1	3	328.755	3.224	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1	ZINC000000079423	452500265	/nfs/dbraw/zinc/50/02/65/452500265.db2.gz	SHPLLJHOSVXHSP-OAHLLOKOSA-N	-1	3	328.755	3.224	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccnc4ccccc43)C12	ZINC000012322932	453354557	/nfs/dbraw/zinc/35/45/57/453354557.db2.gz	CBQFAUYLBCJWQB-MRXNPFEDSA-N	-1	3	333.351	3.204	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccc(O)cc1	ZINC000012347448	453355796	/nfs/dbraw/zinc/35/57/96/453355796.db2.gz	XJAUHDDFCOIMSM-ZDUSSCGKSA-N	-1	3	325.368	3.022	50	30		EGEAHM
CC(C)N1/C(=C/c2ccc([O-])cc2)C(=O)c2ccccc2S1(=O)=O	ZINC000012408667	453363123	/nfs/dbraw/zinc/36/31/23/453363123.db2.gz	MWGOXQNIOATRPE-LFIBNONCSA-N	-1	3	343.404	3.029	50	30		EGEAHM
O=C1[N-]/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1	ZINC000017015982	453626164	/nfs/dbraw/zinc/62/61/64/453626164.db2.gz	XVIPLJFVHGDSII-LFMVTYOGSA-N	-1	3	333.800	3.097	50	30		EGEAHM
C=CC[C@@]1(C(=O)[O-])CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1	ZINC000092062022	454511220	/nfs/dbraw/zinc/51/12/20/454511220.db2.gz	IFSKGKYTJHMISS-LJQANCHMSA-N	-1	3	331.460	3.385	50	30		EGEAHM
O=C([O-])CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000013116575	304080876	/nfs/dbraw/zinc/08/08/76/304080876.db2.gz	YHPXYKMSQIMFLO-YWMAMYRUSA-N	-1	3	326.377	3.297	50	30		EGEAHM
C=CCOc1ccc([C@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc1	ZINC000012409510	211371922	/nfs/dbraw/zinc/37/19/22/211371922.db2.gz	NVBBMGGVXIFWEX-MRXNPFEDSA-N	-1	3	338.367	3.220	50	30		EGEAHM
O=C1[N-]/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1	ZINC000004465340	452804025	/nfs/dbraw/zinc/80/40/25/452804025.db2.gz	YDYRFTKISCGOEC-YRUBURHZSA-N	-1	3	333.800	3.097	50	30		EGEAHM
O=C1[N-]/C(=N/N=C/c2cccs2)S[C@H]1Cc1ccc(F)cc1	ZINC000017015246	453626731	/nfs/dbraw/zinc/62/67/31/453626731.db2.gz	FVJDHQXBYPVFCY-YRUBURHZSA-N	-1	3	333.413	3.051	50	30		EGEAHM
Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000044974037	454131203	/nfs/dbraw/zinc/13/12/03/454131203.db2.gz	UNSRNGSULWDDQC-HNNXBMFYSA-N	-1	3	335.407	3.279	50	30		EGEAHM
CCCCCCCCCc1c([O-])nc(SCC[NH+](C)C)[n-]c1=O	ZINC000097994912	454448502	/nfs/dbraw/zinc/44/85/02/454448502.db2.gz	FECOLGWMBGIUKH-UHFFFAOYSA-N	-1	3	341.521	3.422	50	30		EGEAHM
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[O-])cc1[N+](=O)[O-]	ZINC000000445442	452593367	/nfs/dbraw/zinc/59/33/67/452593367.db2.gz	BRCVESKZCNLXQK-VCHYOVAHSA-N	-1	3	338.323	3.264	50	30		EGEAHM
CCOc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c([O-])c1	ZINC000004150659	452795329	/nfs/dbraw/zinc/79/53/29/452795329.db2.gz	CIZNKRMVXAJZDP-KEBDBYFISA-N	-1	3	341.436	3.463	50	30		EGEAHM
O=C1OC(c2ccccc2)=NC1=N[N-]c1cccc(C(F)(F)F)c1	ZINC000012376073	453357381	/nfs/dbraw/zinc/35/73/81/453357381.db2.gz	GLUUAQNCPYUWHN-LPYMAVHISA-N	-1	3	333.269	3.434	50	30		EGEAHM
O=C(Cn1ccc2ccc(F)cc21)Nc1n[n-]c([C@H]2CCCO2)n1	ZINC000095480904	454221485	/nfs/dbraw/zinc/22/14/85/454221485.db2.gz	DPRDTHJSGGRBLI-CYBMUJFWSA-N	-1	3	329.335	3.038	50	30		EGEAHM
COC(=O)c1c(/N=C/c2ccc(C)cc2[O-])sc2c1CCN(C)C2	ZINC000000247985	452545452	/nfs/dbraw/zinc/54/54/52/452545452.db2.gz	MRDSOCFTJOHKKW-DJKKODMXSA-N	-1	3	344.436	3.287	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000000450242	452594859	/nfs/dbraw/zinc/59/48/59/452594859.db2.gz	IHILZCUTYQDRNT-GFCCVEGCSA-N	-1	3	334.784	3.286	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000000450242	452594870	/nfs/dbraw/zinc/59/48/70/452594870.db2.gz	IHILZCUTYQDRNT-GFCCVEGCSA-N	-1	3	334.784	3.286	50	30		EGEAHM
O=C1[N-]/C(=N/c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000009058630	453241319	/nfs/dbraw/zinc/24/13/19/453241319.db2.gz	OFUSUYFICBTORD-CQSZACIVSA-N	-1	3	327.365	3.057	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccccc1F	ZINC000012348632	453356859	/nfs/dbraw/zinc/35/68/59/453356859.db2.gz	VROWFWQGPKMLPZ-CYBMUJFWSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@@H]2c1ccccc1F	ZINC000012348632	453356871	/nfs/dbraw/zinc/35/68/71/453356871.db2.gz	VROWFWQGPKMLPZ-CYBMUJFWSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2cccc(F)c2)C1	ZINC000012390989	453358480	/nfs/dbraw/zinc/35/84/80/453358480.db2.gz	DMEFGPRJZJXBGQ-CQSZACIVSA-N	-1	3	328.347	3.431	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccc(F)cc1	ZINC000018195579	453647831	/nfs/dbraw/zinc/64/78/31/453647831.db2.gz	HRJXVTDCLINUDZ-CYBMUJFWSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@@H]2c1ccc(F)cc1	ZINC000018195579	453647833	/nfs/dbraw/zinc/64/78/33/453647833.db2.gz	HRJXVTDCLINUDZ-CYBMUJFWSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC([O-])=C1C(=O)[C@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O	ZINC000101145335	454469731	/nfs/dbraw/zinc/46/97/31/454469731.db2.gz	WJCPGKDPOYBOOJ-QOCWYBFNSA-N	-1	3	338.407	3.076	50	30		EGEAHM
CC(=O)C1=C([O-])[C@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O	ZINC000101145335	454469735	/nfs/dbraw/zinc/46/97/35/454469735.db2.gz	WJCPGKDPOYBOOJ-QOCWYBFNSA-N	-1	3	338.407	3.076	50	30		EGEAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1	ZINC000004018096	210101069	/nfs/dbraw/zinc/10/10/69/210101069.db2.gz	KUXWLNJLTHELNO-WOJGMQOQSA-N	-1	3	337.339	3.241	50	30		EGEAHM
[O-]c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000004898088	210316462	/nfs/dbraw/zinc/31/64/62/210316462.db2.gz	HCYHYCYKYZJWRG-RQZCQDPDSA-N	-1	3	330.800	3.475	50	30		EGEAHM
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/[O-]	ZINC000005738719	452899182	/nfs/dbraw/zinc/89/91/82/452899182.db2.gz	OFABHCUVDOROEK-RGVLZGJSSA-N	-1	3	331.331	3.454	50	30		EGEAHM
CC(=O)C1=C(C)Oc2nc(C)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1	ZINC000015083778	453555650	/nfs/dbraw/zinc/55/56/50/453555650.db2.gz	OLODVAMUQZNOAE-CQSZACIVSA-N	-1	3	330.771	3.119	50	30		EGEAHM
CCOC(=O)c1c(/N=C/c2ccccc2[O-])sc2c1CCN(C)C2	ZINC000033900013	453918228	/nfs/dbraw/zinc/91/82/28/453918228.db2.gz	MSLRHWYIYPCUCH-VXLYETTFSA-N	-1	3	344.436	3.369	50	30		EGEAHM
O=C1C[C@@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1[O-]	ZINC000071281377	454203761	/nfs/dbraw/zinc/20/37/61/454203761.db2.gz	BEAQWFCNVPZFBD-XKYMITNMSA-N	-1	3	345.196	3.462	50	30		EGEAHM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1-c1ccc(Cl)cc1F	ZINC000005009276	283408773	/nfs/dbraw/zinc/40/87/73/283408773.db2.gz	QJYXAWMHPCWKHL-UHFFFAOYSA-N	-1	3	342.761	3.072	50	30		EGEAHM
[O-]c1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000019594636	212050153	/nfs/dbraw/zinc/05/01/53/212050153.db2.gz	QXLZEGINMLHKDL-DEDYPNTBSA-N	-1	3	329.831	3.197	50	30		EGEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccco1)CCCC2	ZINC000000284394	294866550	/nfs/dbraw/zinc/86/65/50/294866550.db2.gz	DTYOORCBCYBHHY-UHFFFAOYSA-N	-1	3	331.422	3.218	50	30		EGEAHM
O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)[N-]/C(=N\c2ccccc2)S1	ZINC000013552688	453469283	/nfs/dbraw/zinc/46/92/83/453469283.db2.gz	VMCBSUJRIDQQNW-AWEZNQCLSA-N	-1	3	343.383	3.074	50	30		EGEAHM
COc1cc(CN=Nc2nccs2)cc(Br)c1[O-]	ZINC000031854305	453856386	/nfs/dbraw/zinc/85/63/86/453856386.db2.gz	HZZZMYNJCUUSPE-NSIKDUERSA-N	-1	3	328.191	3.066	50	30		EGEAHM
COCc1cc(C)nc(N=NCc2cc(Cl)ccc2[O-])c1C#N	ZINC000004321291	210170600	/nfs/dbraw/zinc/17/06/00/210170600.db2.gz	XOGGWHSVLZXNRF-UFWORHAWSA-N	-1	3	330.775	3.213	50	30		EGEAHM
COc1cccc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)c1	ZINC000012408606	295329831	/nfs/dbraw/zinc/32/98/31/295329831.db2.gz	RKMAUOBCBKBZPN-OAHLLOKOSA-N	-1	3	340.383	3.300	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1	ZINC000000283382	452554246	/nfs/dbraw/zinc/55/42/46/452554246.db2.gz	YEURINGIJKHIBZ-OAHLLOKOSA-N	-1	3	328.755	3.224	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1	ZINC000000283382	452554256	/nfs/dbraw/zinc/55/42/56/452554256.db2.gz	YEURINGIJKHIBZ-OAHLLOKOSA-N	-1	3	328.755	3.224	50	30		EGEAHM
CCOc1ccc2c(c1)s/c(=N\N=C\c1ccccc1[O-])n2C	ZINC000004662882	210239493	/nfs/dbraw/zinc/23/94/93/210239493.db2.gz	XCCPCOFAMXQDQK-ONMBGNKZSA-N	-1	3	327.409	3.279	50	30		EGEAHM
CNc1nc2ccccc2n1/N=C/c1cc(Br)ccc1[O-]	ZINC000000348296	452568157	/nfs/dbraw/zinc/56/81/57/452568157.db2.gz	OXWPSOQHYWQHSY-GIJQJNRQSA-N	-1	3	345.200	3.428	50	30		EGEAHM
COC(=O)c1sc([N-]C(=O)c2cccnc2Cl)c(C#N)c1C	ZINC000000484064	452605248	/nfs/dbraw/zinc/60/52/48/452605248.db2.gz	RMIIETLBYMURPJ-UHFFFAOYSA-N	-1	3	335.772	3.016	50	30		EGEAHM
COc1ccccc1[C@H]1C(C(C)=O)=C([O-])C(=O)N1c1ccc(F)cc1	ZINC000000273556	278062718	/nfs/dbraw/zinc/06/27/18/278062718.db2.gz	FJTXVAFBMSTRJH-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccccc1[C@H]1C(=C(C)[O-])C(=O)C(=O)N1c1ccc(F)cc1	ZINC000000273556	278062719	/nfs/dbraw/zinc/06/27/19/278062719.db2.gz	FJTXVAFBMSTRJH-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccccc2F)C1	ZINC000012321692	280892925	/nfs/dbraw/zinc/89/29/25/280892925.db2.gz	JSZSCIVRPWALJT-AWEZNQCLSA-N	-1	3	328.347	3.431	50	30		EGEAHM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccnn1C(F)F	ZINC000002777610	452722959	/nfs/dbraw/zinc/72/29/59/452722959.db2.gz	ZDIZOYHCFYNREU-UHFFFAOYSA-N	-1	3	327.159	3.226	50	30		EGEAHM
Cc1ccccc1COc1ccc(C=NNc2nc([O-])cs2)cc1	ZINC000003255914	452753768	/nfs/dbraw/zinc/75/37/68/452753768.db2.gz	QKGRKKICZOHHJX-VXLYETTFSA-N	-1	3	339.420	3.127	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@H](c3cc(Cl)ccc3F)C12	ZINC000020736421	453668258	/nfs/dbraw/zinc/66/82/58/453668258.db2.gz	KQWOCDRMDSBBDH-CYBMUJFWSA-N	-1	3	334.738	3.448	50	30		EGEAHM
COc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1[O-]	ZINC000004150652	210133174	/nfs/dbraw/zinc/13/31/74/210133174.db2.gz	FFBNQUOWACJHQL-DJKKODMXSA-N	-1	3	327.409	3.072	50	30		EGEAHM
C=CCn1nnc([N-]C(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)n1	ZINC000010148869	258018095	/nfs/dbraw/zinc/01/80/95/258018095.db2.gz	NFQHXQCHOOKREC-UHFFFAOYSA-N	-1	3	343.774	3.333	50	30		EGEAHM
CCCCc1nnc([N-]C(=O)c2c(O)nc3ccccc3c2O)s1	ZINC000009045812	258053896	/nfs/dbraw/zinc/05/38/96/258053896.db2.gz	OYMWEDPVIOCPIT-UHFFFAOYSA-N	-1	3	344.396	3.064	50	30		EGEAHM
COc1ccc(/C=N/[O-])cc1Cn1nc(C)c(Br)c1C	ZINC000000369444	452574070	/nfs/dbraw/zinc/57/40/70/452574070.db2.gz	CTUJQJSTSYQBML-FRKPEAEDSA-N	-1	3	338.205	3.127	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1cccc(O)c1	ZINC000012348608	453357207	/nfs/dbraw/zinc/35/72/07/453357207.db2.gz	RLJJQHARPJUDOA-CYBMUJFWSA-N	-1	3	325.368	3.022	50	30		EGEAHM
Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c([O-])c1O	ZINC000015913384	453588783	/nfs/dbraw/zinc/58/87/83/453588783.db2.gz	RGGFUBMUOVFZEF-LDRVEFRDSA-N	-1	3	347.440	3.090	50	30	in-vitro	EGEAHM
COc1cc(/C=N/[O-])c(Br)c(Br)c1OC	ZINC000016194713	453598198	/nfs/dbraw/zinc/59/81/98/453598198.db2.gz	KQWPFWQJDPHKBD-UUILKARUSA-N	-1	3	338.983	3.037	50	30		EGEAHM
CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1	ZINC000017068363	453628016	/nfs/dbraw/zinc/62/80/16/453628016.db2.gz	QPHZERASANRUED-RNEAKCBISA-N	-1	3	332.425	3.218	50	30		EGEAHM
COc1ccc(C([O-])=Cc2nc3ccc(Cl)cc3[nH]c2=O)cc1	ZINC000017142006	453630231	/nfs/dbraw/zinc/63/02/31/453630231.db2.gz	IRMJMNFQLKMQOA-OQLLNIDSSA-N	-1	3	328.755	3.479	50	30		EGEAHM
CN(C)c1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000060856893	454316813	/nfs/dbraw/zinc/31/68/13/454316813.db2.gz	GZSKKLBEAOBUJD-AWNIVKPZSA-N	-1	3	344.436	3.020	50	30		EGEAHM
[O-]c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000252429360	455804604	/nfs/dbraw/zinc/80/46/04/455804604.db2.gz	HCYHYCYKYZJWRG-UHFFFAOYSA-N	-1	3	330.800	3.475	50	30		EGEAHM
COc1cc(C(=O)Nc2ccc(/C(C)=N/[O-])cc2)cc(OC)c1OC	ZINC000004729217	210262151	/nfs/dbraw/zinc/26/21/51/210262151.db2.gz	HVUBBUCBARPIJM-RGVLZGJSSA-N	-1	3	344.367	3.163	50	30		EGEAHM
CC(=O)C(N=Nc1cc(Cl)ccc1Cl)=C([O-])C(F)(F)F	ZINC000100068037	219090123	/nfs/dbraw/zinc/09/01/23/219090123.db2.gz	MKGQRRXMQANXOD-NVMNQCDNSA-N	-1	3	327.089	3.482	50	30		EGEAHM
CC([O-])=C(N=Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F	ZINC000100068037	219090125	/nfs/dbraw/zinc/09/01/25/219090125.db2.gz	MKGQRRXMQANXOD-NVMNQCDNSA-N	-1	3	327.089	3.482	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000535238	452616055	/nfs/dbraw/zinc/61/60/55/452616055.db2.gz	IFMLKNGOPSNUJP-MRXNPFEDSA-N	-1	3	338.319	3.084	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000535238	452616064	/nfs/dbraw/zinc/61/60/64/452616064.db2.gz	IFMLKNGOPSNUJP-MRXNPFEDSA-N	-1	3	338.319	3.084	50	30		EGEAHM
COc1cc(C(=O)Nc2ccc(/C(C)=N\[O-])cc2)cc(OC)c1OC	ZINC000100669734	219104257	/nfs/dbraw/zinc/10/42/57/219104257.db2.gz	HVUBBUCBARPIJM-JAIQZWGSSA-N	-1	3	344.367	3.163	50	30		EGEAHM
N#Cc1cccc(CN2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c1	ZINC000072432126	216225528	/nfs/dbraw/zinc/22/55/28/216225528.db2.gz	MGTNMGAPIJGDJQ-UHFFFAOYSA-N	-1	3	336.391	3.056	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccc4ncccc4c3)C12	ZINC000012324639	296316933	/nfs/dbraw/zinc/31/69/33/296316933.db2.gz	ZYQKYTHYQPANGM-MRXNPFEDSA-N	-1	3	333.351	3.204	50	30		EGEAHM
COc1cccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)c1	ZINC000012408605	295320616	/nfs/dbraw/zinc/32/06/16/295320616.db2.gz	RKMAUOBCBKBZPN-HNNXBMFYSA-N	-1	3	340.383	3.300	50	30		EGEAHM
Cc1ccc2nc(C3C([O-])=CN([C@@H](C)c4ccccc4)C3=N)[nH]c2c1	ZINC000005182871	452842797	/nfs/dbraw/zinc/84/27/97/452842797.db2.gz	UJMANQWFJVPDLK-ZDUSSCGKSA-N	-1	3	332.407	3.145	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1cccc(O)c1	ZINC000012348623	453356110	/nfs/dbraw/zinc/35/61/10/453356110.db2.gz	RLJJQHARPJUDOA-ZDUSSCGKSA-N	-1	3	325.368	3.022	50	30		EGEAHM
CC(C)c1ncc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)cn1	ZINC000067934580	215252865	/nfs/dbraw/zinc/25/28/65/215252865.db2.gz	HHBGCLKMSWUDQO-UHFFFAOYSA-N	-1	3	331.379	3.488	50	30		EGEAHM
Cc1cc([O-])c(CN2CCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2	ZINC000020589012	212150083	/nfs/dbraw/zinc/15/00/83/212150083.db2.gz	DJZDTEQZDPRZCN-BOPFTXTBSA-N	-1	3	336.391	3.308	50	30		EGEAHM
Cc1cc(/N=C/c2c([O-])c(C)ncc2CO)ccc1Br	ZINC000005110616	210391905	/nfs/dbraw/zinc/39/19/05/210391905.db2.gz	PDRNWJWKTHAPFP-CNHKJKLMSA-N	-1	3	335.201	3.409	50	30		EGEAHM
O=C1[N-]/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc(Cl)c1	ZINC000004866437	210306971	/nfs/dbraw/zinc/30/69/71/210306971.db2.gz	YDYRFTKISCGOEC-LFMVTYOGSA-N	-1	3	333.800	3.097	50	30		EGEAHM
COc1ccccc1[C@@H]1[N-]c2nonc2N=C2CC(C)(C)CC(=O)C21	ZINC000012390455	295395841	/nfs/dbraw/zinc/39/58/41/295395841.db2.gz	GKRRZXYTXRUJIC-HNNXBMFYSA-N	-1	3	340.383	3.300	50	30		EGEAHM
[O-]c1cc(O)ccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000239174168	455261050	/nfs/dbraw/zinc/26/10/50/455261050.db2.gz	PKIQGRJZAFBQMT-UHFFFAOYSA-N	-1	3	346.799	3.181	50	30		EGEAHM
N#Cc1c([N-]C(=S)NC(=O)c2ccccc2)sc2c1CCC2	ZINC000000173703	452527429	/nfs/dbraw/zinc/52/74/29/452527429.db2.gz	OMXAWDLXQJAZRU-UHFFFAOYSA-N	-1	3	327.434	3.235	50	30		EGEAHM
[O-]c1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl	ZINC000001275149	452650353	/nfs/dbraw/zinc/65/03/53/452650353.db2.gz	LBJXTNKRBYEIPB-RQZCQDPDSA-N	-1	3	330.800	3.475	50	30		EGEAHM
Cc1ccc(NC2=C(Cl)C(=O)c3c([O-])ccc(O)c3C2=O)cc1	ZINC000100251654	454465069	/nfs/dbraw/zinc/46/50/69/454465069.db2.gz	KOEJEZVJRDBRMI-UHFFFAOYSA-N	-1	3	329.739	3.348	50	30		EGEAHM
Cc1ccc(NC2=C(Cl)C(=O)c3c(O)ccc([O-])c3C2=O)cc1	ZINC000100251654	454465071	/nfs/dbraw/zinc/46/50/71/454465071.db2.gz	KOEJEZVJRDBRMI-UHFFFAOYSA-N	-1	3	329.739	3.348	50	30		EGEAHM
COc1ccc(NC(=S)N/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000002597721	452706554	/nfs/dbraw/zinc/70/65/54/452706554.db2.gz	SOEGXIGERJVPHG-RQZCQDPDSA-N	-1	3	335.816	3.375	50	30		EGEAHM
[O-]c1ccccc1C=NNc1nc2c(ccc3ccccc23)n1CCO	ZINC000005395249	452867881	/nfs/dbraw/zinc/86/78/81/452867881.db2.gz	MRWXHKXZVWTVAC-FYJGNVAPSA-N	-1	3	346.390	3.333	50	30		EGEAHM
Cc1onc(C#N)c1C(=O)[N-]c1ncc(C(F)(F)F)cc1Cl	ZINC000004041257	210105697	/nfs/dbraw/zinc/10/56/97/210105697.db2.gz	JJHFODFHTONIKM-UHFFFAOYSA-N	-1	3	330.653	3.174	50	30		EGEAHM
CCN(CC)CC#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1	ZINC000103402334	219296863	/nfs/dbraw/zinc/29/68/63/219296863.db2.gz	MBBZGOIEMWMOAS-GOSISDBHSA-N	-1	3	343.467	3.215	50	30		EGEAHM
COc1ccc(Cl)cc1C(=O)NC(=S)[N-]c1ccccc1C#N	ZINC000000569261	258048693	/nfs/dbraw/zinc/04/86/93/258048693.db2.gz	XQXUPPVPPHMDLJ-UHFFFAOYSA-N	-1	3	345.811	3.347	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@@H](c3cc(Cl)ccc3F)C12	ZINC000020736418	304624037	/nfs/dbraw/zinc/62/40/37/304624037.db2.gz	KQWOCDRMDSBBDH-ZDUSSCGKSA-N	-1	3	334.738	3.448	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000000082756	452501944	/nfs/dbraw/zinc/50/19/44/452501944.db2.gz	HVCJIYUJGLOKAU-MRXNPFEDSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000000082756	452501956	/nfs/dbraw/zinc/50/19/56/452501956.db2.gz	HVCJIYUJGLOKAU-MRXNPFEDSA-N	-1	3	329.302	3.454	50	30		EGEAHM
C=CCOc1ccc(Cl)cc1/C=C1\SC([N-]C(C)=O)=NC1=O	ZINC000002812549	452728501	/nfs/dbraw/zinc/72/85/01/452728501.db2.gz	XIATVVHVMGCUCW-JYRVWZFOSA-N	-1	3	336.800	3.011	50	30		EGEAHM
C=CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br	ZINC000002936882	452736666	/nfs/dbraw/zinc/73/66/66/452736666.db2.gz	UNJQCVCWDRPEJZ-YRNVUSSQSA-N	-1	3	340.198	3.338	50	30		EGEAHM
COc1ccccc1/C=C1\S/C(=N\c2ccccc2[O-])NC1=O	ZINC000005662093	452892298	/nfs/dbraw/zinc/89/22/98/452892298.db2.gz	FMCGYLGBVMQUPI-GDNBJRDFSA-N	-1	3	326.377	3.292	50	30		EGEAHM
C=CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000012347298	211353942	/nfs/dbraw/zinc/35/39/42/211353942.db2.gz	NXWZTHHBIOTFNT-HNNXBMFYSA-N	-1	3	337.379	3.245	50	30		EGEAHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000006706782	258044578	/nfs/dbraw/zinc/04/45/78/258044578.db2.gz	ILEQZWKSUGRVMV-UHFFFAOYSA-N	-1	3	349.408	3.069	50	30		EGEAHM
Cc1ccc(O)c([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000018195587	301654840	/nfs/dbraw/zinc/65/48/40/301654840.db2.gz	MVADLTRLYGCRIR-AWEZNQCLSA-N	-1	3	339.395	3.330	50	30		EGEAHM
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1[O-])CCCC3	ZINC000000301122	452556381	/nfs/dbraw/zinc/55/63/81/452556381.db2.gz	VVRUIRHNHWPGPM-VXLYETTFSA-N	-1	3	339.420	3.233	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccccc1O	ZINC000018195178	453647582	/nfs/dbraw/zinc/64/75/82/453647582.db2.gz	YKANEOCZZGTQLO-ZDUSSCGKSA-N	-1	3	325.368	3.022	50	30		EGEAHM
O=c1[nH]c2c(-c3ccccc3)c([O-])cn2c2sc3c(c21)CCCC3	ZINC000101381166	454470167	/nfs/dbraw/zinc/47/01/67/454470167.db2.gz	FPYFAIAZVCZXJE-UHFFFAOYSA-N	-1	3	336.416	3.128	50	30		EGEAHM
N#CC=C([O-])c1ccc(C(F)(F)F)c(I)c1	ZINC000169801632	564017224	/nfs/dbraw/zinc/01/72/24/564017224.db2.gz	NIJSQXAHJWBEOK-UHFFFAOYSA-N	-1	3	339.054	3.406	50	30		EGEAHM
[O-]c1ccc(/C=N/c2ccc(I)cc2)c(O)c1	ZINC000000064984	209397054	/nfs/dbraw/zinc/39/70/54/209397054.db2.gz	IBLSHDLGWOTEMS-OVCLIPMQSA-N	-1	3	339.132	3.453	50	30		EGEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc(I)cc1	ZINC000000064984	209397057	/nfs/dbraw/zinc/39/70/57/209397057.db2.gz	IBLSHDLGWOTEMS-OVCLIPMQSA-N	-1	3	339.132	3.453	50	30		EGEAHM
COc1cc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)cc(OC)c1OC	ZINC000012877489	258001859	/nfs/dbraw/zinc/00/18/59/258001859.db2.gz	PVQQXAIZQYVNCS-AUWJEWJLSA-N	-1	3	342.347	3.343	50	30	biogenic	EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000000035067	452493849	/nfs/dbraw/zinc/49/38/49/452493849.db2.gz	DUISCRIIYHFMHZ-INIZCTEOSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000000035067	452493858	/nfs/dbraw/zinc/49/38/58/452493858.db2.gz	DUISCRIIYHFMHZ-INIZCTEOSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccccc2F)C1	ZINC000012321691	453355023	/nfs/dbraw/zinc/35/50/23/453355023.db2.gz	JSZSCIVRPWALJT-CQSZACIVSA-N	-1	3	328.347	3.431	50	30		EGEAHM
COc1c([O-])c(C(=O)/C=C/c2ccccc2)c(OC)c(O)c1OC	ZINC000014640460	453540362	/nfs/dbraw/zinc/54/03/62/453540362.db2.gz	PPRMAMORBLMPSR-MDZDMXLPSA-N	-1	3	330.336	3.020	50	30	biogenic	EGEAHM
COc1ccccc1-c1nc(NC(=O)COC2CCCCC2)n[n-]1	ZINC000052779202	453844172	/nfs/dbraw/zinc/84/41/72/453844172.db2.gz	OEDHEPGZAQPNRW-UHFFFAOYSA-N	-1	3	330.388	3.418	50	30		EGEAHM
C=CCn1ncc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C	ZINC000095353415	454196286	/nfs/dbraw/zinc/19/62/86/454196286.db2.gz	IIQXSYHPZHZVHK-SFHVURJKSA-N	-1	3	339.439	3.455	50	30		EGEAHM
C=CCn1cc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1	ZINC000095381273	454199791	/nfs/dbraw/zinc/19/97/91/454199791.db2.gz	NEJHDYVDECEXEN-GOSISDBHSA-N	-1	3	339.439	3.455	50	30		EGEAHM
O=c1[nH]c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2[nH]1	ZINC000003233546	209983557	/nfs/dbraw/zinc/98/35/57/209983557.db2.gz	ZVAZYZFTSFSLNW-FRKPEAEDSA-N	-1	3	332.157	3.075	50	30		EGEAHM
C=CCn1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1	ZINC000010148853	258017798	/nfs/dbraw/zinc/01/77/98/258017798.db2.gz	GMMLHIGPVATDEE-UHFFFAOYSA-N	-1	3	329.747	3.025	50	30		EGEAHM
Cc1ccc2nc(C3C([O-])=CN([C@H](C)c4ccccc4)C3=N)[nH]c2c1	ZINC000005182874	452843074	/nfs/dbraw/zinc/84/30/74/452843074.db2.gz	UJMANQWFJVPDLK-CYBMUJFWSA-N	-1	3	332.407	3.145	50	30		EGEAHM
CC(=O)C1=C(C)Oc2nc(C)[n-]c(=O)c2[C@H]1c1ccccc1Cl	ZINC000015082928	453555864	/nfs/dbraw/zinc/55/58/64/453555864.db2.gz	NKTCMUNZKWUXGS-AWEZNQCLSA-N	-1	3	330.771	3.119	50	30		EGEAHM
CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000018176478	453645956	/nfs/dbraw/zinc/64/59/56/453645956.db2.gz	VDTLKQBTGGNDMW-BAOGCXAUSA-N	-1	3	334.379	3.386	50	30		EGEAHM
CCn1cc(CN2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1C#N	ZINC000072419441	216207879	/nfs/dbraw/zinc/20/78/79/216207879.db2.gz	AZTWAZBNLAJDSI-INIZCTEOSA-N	-1	3	337.423	3.142	50	30		EGEAHM
N#Cc1c([N-]C(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2	ZINC000000570036	264023791	/nfs/dbraw/zinc/02/37/91/264023791.db2.gz	SXGOFBZFPAPBLM-UHFFFAOYSA-N	-1	3	345.424	3.374	50	30		EGEAHM
COc1ccccc1[C@@H]1C(C(C)=O)=C([O-])C(=O)N1c1ccc(F)cc1	ZINC000000273561	452552763	/nfs/dbraw/zinc/55/27/63/452552763.db2.gz	FJTXVAFBMSTRJH-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccccc1[C@@H]1C(=C(C)[O-])C(=O)C(=O)N1c1ccc(F)cc1	ZINC000000273561	452552767	/nfs/dbraw/zinc/55/27/67/452552767.db2.gz	FJTXVAFBMSTRJH-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1[O-]	ZINC000013126436	453446887	/nfs/dbraw/zinc/44/68/87/453446887.db2.gz	WQBPXJSWOBGZJK-UHFFFAOYSA-N	-1	3	333.347	3.289	50	30		EGEAHM
C=CCn1ncc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C	ZINC000095353416	454196122	/nfs/dbraw/zinc/19/61/22/454196122.db2.gz	IIQXSYHPZHZVHK-GOSISDBHSA-N	-1	3	339.439	3.455	50	30		EGEAHM
CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2ccccc2[O-])cc1	ZINC000017068373	211949724	/nfs/dbraw/zinc/94/97/24/211949724.db2.gz	LDJGTGYXLGLYDP-PDGQHHTCSA-N	-1	3	332.425	3.002	50	30		EGEAHM
O=C1[N-]/C(=N/N=C/c2cccs2)S[C@@H]1Cc1ccc(F)cc1	ZINC000009014126	211032151	/nfs/dbraw/zinc/03/21/51/211032151.db2.gz	FVJDHQXBYPVFCY-LFMVTYOGSA-N	-1	3	333.413	3.051	50	30		EGEAHM
C=CCN(Cc1ccccc1Cl)C(=O)c1ccc2n[n-]nc2c1	ZINC000055575667	258015021	/nfs/dbraw/zinc/01/50/21/258015021.db2.gz	CBLMQAQJDLZNGM-UHFFFAOYSA-N	-1	3	326.787	3.440	50	30		EGEAHM
COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1	ZINC000000536452	278015246	/nfs/dbraw/zinc/01/52/46/278015246.db2.gz	ZRTXXARWKAJJSZ-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(F)cc2)c1	ZINC000000536452	278015248	/nfs/dbraw/zinc/01/52/48/278015248.db2.gz	ZRTXXARWKAJJSZ-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000004488869	295020472	/nfs/dbraw/zinc/02/04/72/295020472.db2.gz	ROKHFNYOTVOAOB-JTQLQIEISA-N	-1	3	349.814	3.301	50	30		EGEAHM
[O-]c1ccc(Cl)cc1[C@H](C#Cc1ccccc1)N1CCOCC1	ZINC000019770600	453659872	/nfs/dbraw/zinc/65/98/72/453659872.db2.gz	AEMGXLDTHKNMOY-SFHVURJKSA-N	-1	3	327.811	3.471	50	30		EGEAHM
[O-]c1cc(N2CCCC2)ccc1/C=N\NC(=S)Nc1ccccc1	ZINC000036046862	213057724	/nfs/dbraw/zinc/05/77/24/213057724.db2.gz	NSBLODSSWZWYCK-UYRXBGFRSA-N	-1	3	340.452	3.313	50	30		EGEAHM
N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1)c1ccc([O-])cc1O2	ZINC000019933182	453660435	/nfs/dbraw/zinc/66/04/35/453660435.db2.gz	XMRBLOXLWFQYBB-HNNXBMFYSA-N	-1	3	330.347	3.109	50	30		EGEAHM
C=CCc1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)ccc1[O-]	ZINC000101329825	454470253	/nfs/dbraw/zinc/47/02/53/454470253.db2.gz	SXQCGMYXZNHRAT-UHFFFAOYSA-N	-1	3	332.407	3.334	50	30		EGEAHM
CN(C)[C@H](C/N=C(\[O-])c1cc2ccccc2oc1=O)c1cccs1	ZINC000028291408	522069607	/nfs/dbraw/zinc/06/96/07/522069607.db2.gz	OBXVKCVZDTWGHN-CQSZACIVSA-N	-1	3	342.420	3.462	50	30		EGEAHM
CCCn1cc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)c(C)n1	ZINC000067847611	215230320	/nfs/dbraw/zinc/23/03/20/215230320.db2.gz	RMGSSGJYKFXCRJ-UHFFFAOYSA-N	-1	3	333.395	3.490	50	30		EGEAHM
CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1[O-]	ZINC000001306048	452653421	/nfs/dbraw/zinc/65/34/21/452653421.db2.gz	XXJMVSKJVGJFGQ-KEBDBYFISA-N	-1	3	341.436	3.463	50	30		EGEAHM
COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1[O-]	ZINC000013496820	453468301	/nfs/dbraw/zinc/46/83/01/453468301.db2.gz	YLHPIBGTWWOHJL-GHXNOFRVSA-N	-1	3	329.739	3.399	50	30		EGEAHM
N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1)c1ccc([O-])cc1O2	ZINC000019933179	453660519	/nfs/dbraw/zinc/66/05/19/453660519.db2.gz	XMRBLOXLWFQYBB-OAHLLOKOSA-N	-1	3	330.347	3.109	50	30		EGEAHM
COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000004488870	210202587	/nfs/dbraw/zinc/20/25/87/210202587.db2.gz	ROKHFNYOTVOAOB-SNVBAGLBSA-N	-1	3	349.814	3.301	50	30		EGEAHM
[O-]c1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000012341097	211353121	/nfs/dbraw/zinc/35/31/21/211353121.db2.gz	QVZBZEXZDHJZAW-PXNMLYILSA-N	-1	3	331.173	3.477	50	30		EGEAHM
[O-]c1ccc(Br)cc1C=NNc1nc2ccccc2[nH]1	ZINC000012341097	211353122	/nfs/dbraw/zinc/35/31/22/211353122.db2.gz	QVZBZEXZDHJZAW-PXNMLYILSA-N	-1	3	331.173	3.477	50	30		EGEAHM
C[C@@H]1CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccc3ncccc3c2)C1	ZINC000012324837	287192092	/nfs/dbraw/zinc/19/20/92/287192092.db2.gz	POWUMKGEISIKOE-BTDLBPIBSA-N	-1	3	347.378	3.450	50	30		EGEAHM
O=C([O-])CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000100089888	304080833	/nfs/dbraw/zinc/08/08/33/304080833.db2.gz	YHPXYKMSQIMFLO-DNZUHHBVSA-N	-1	3	326.377	3.297	50	30		EGEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000000070754	452498196	/nfs/dbraw/zinc/49/81/96/452498196.db2.gz	JZXNDABXKWJPGE-SFHVURJKSA-N	-1	3	337.375	3.493	50	30		EGEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccco3)sc2C1	ZINC000000324651	452565003	/nfs/dbraw/zinc/56/50/03/452565003.db2.gz	AHTZTOKJEIRBTO-SECBINFHSA-N	-1	3	345.449	3.464	50	30		EGEAHM
COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N\[O-])cc2)cc1	ZINC000013115858	453446664	/nfs/dbraw/zinc/44/66/64/453446664.db2.gz	ZOHHXJQOQLECCJ-RQZLXBNYSA-N	-1	3	328.368	3.299	50	30		EGEAHM
C=CCOc1c(I)cc(/C=N/[O-])cc1OCC	ZINC000013915458	453490509	/nfs/dbraw/zinc/49/05/09/453490509.db2.gz	KLKMXKOZSAKDFH-RIYZIHGNSA-N	-1	3	347.152	3.063	50	30		EGEAHM
Cc1cs/c(=N/N=C/c2ccc(O)cc2[O-])n1-c1ccccc1	ZINC000004475511	279037225	/nfs/dbraw/zinc/03/72/25/279037225.db2.gz	QKFISSZVSXPAGC-PLZFDSBDSA-N	-1	3	325.393	3.193	50	30		EGEAHM
[O-]/N=C(/NCc1cccnc1)c1ncc(C(F)(F)F)cc1Cl	ZINC000004050556	210107544	/nfs/dbraw/zinc/10/75/44/210107544.db2.gz	VBHOXBAPRJDEBS-UHFFFAOYSA-N	-1	3	330.697	3.074	50	30		EGEAHM
[O-]c1cccc(/C=N/c2ccc(I)cc2)c1O	ZINC000000065264	209397617	/nfs/dbraw/zinc/39/76/17/209397617.db2.gz	QGQGEJSXGGYYKY-OVCLIPMQSA-N	-1	3	339.132	3.453	50	30		EGEAHM
[O-]c1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1	ZINC000243893435	455273538	/nfs/dbraw/zinc/27/35/38/455273538.db2.gz	ARDWODGNHLSJCV-UHFFFAOYSA-N	-1	3	329.831	3.197	50	30		EGEAHM
O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1cccnc1	ZINC000013207149	453452124	/nfs/dbraw/zinc/45/21/24/453452124.db2.gz	JXDZZHKAQFMUKP-WQRHYEAKSA-N	-1	3	336.391	3.389	50	30		EGEAHM
N#Cc1c(/N=C/c2ccc(O)cc2[O-])sc2c1C1CCN2CC1	ZINC000100255468	454464907	/nfs/dbraw/zinc/46/49/07/454464907.db2.gz	YLHBYJQVLCSDKN-DJKKODMXSA-N	-1	3	325.393	3.479	50	30		EGEAHM
N#Cc1c(/N=C/c2ccc([O-])cc2O)sc2c1C1CCN2CC1	ZINC000100255468	454464910	/nfs/dbraw/zinc/46/49/10/454464910.db2.gz	YLHBYJQVLCSDKN-DJKKODMXSA-N	-1	3	325.393	3.479	50	30		EGEAHM
Cc1cs/c(=N/C2CCCCC2)n1/N=C/c1ccc(O)c([O-])c1O	ZINC000101116769	219117090	/nfs/dbraw/zinc/11/70/90/219117090.db2.gz	RGGFUBMUOVFZEF-JCAVOIIISA-N	-1	3	347.440	3.090	50	30		EGEAHM
Cn1c2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2n(C)c1=O	ZINC000000061773	209395644	/nfs/dbraw/zinc/39/56/44/209395644.db2.gz	JTRGNNFQKZEFOJ-CIAFOILYSA-N	-1	3	331.375	3.486	50	30		EGEAHM
COc1cc(/C=C2\Oc3cc(C)cc([O-])c3C2=O)cc(OC)c1OC	ZINC000011865204	211260431	/nfs/dbraw/zinc/26/04/31/211260431.db2.gz	JDRJCYWUJBTKOO-AUWJEWJLSA-N	-1	3	342.347	3.343	50	30	biogenic	EGEAHM
C=CCn1nnc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)n1	ZINC000010148861	258018280	/nfs/dbraw/zinc/01/82/80/258018280.db2.gz	JLSDKTRZIGURGO-UHFFFAOYSA-N	-1	3	329.747	3.025	50	30		EGEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccccc2F)cc1	ZINC000000549044	452621133	/nfs/dbraw/zinc/62/11/33/452621133.db2.gz	WPFMHFXJFBZQDV-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccccc2F)cc1	ZINC000000549044	452621144	/nfs/dbraw/zinc/62/11/44/452621144.db2.gz	WPFMHFXJFBZQDV-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
O=C([O-])CC1S/C(=N\N=C2CCCCC2)N(c2ccccc2)C1=O	ZINC000013139864	453449695	/nfs/dbraw/zinc/44/96/95/453449695.db2.gz	YGVUHDPOGGNSET-RMYFCYLKSA-N	-1	3	345.424	3.286	50	30		EGEAHM
Nc1ccccc1C(=O)OC/C(=N\[O-])c1ccc(Br)cc1	ZINC000102519924	527524935	/nfs/dbraw/zinc/52/49/35/527524935.db2.gz	DRRJEIFJHNTRME-NBVRZTHBSA-N	-1	3	349.184	3.067	50	30		EGEAHM
COc1cc(CN=Nc2nc(C)cs2)cc(Br)c1[O-]	ZINC000004338826	210175158	/nfs/dbraw/zinc/17/51/58/210175158.db2.gz	USNWNIBLXPNKFY-LHHJGKSTSA-N	-1	3	342.218	3.374	50	30		EGEAHM
[O-]c1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000003902926	210089251	/nfs/dbraw/zinc/08/92/51/210089251.db2.gz	QVZBZEXZDHJZAW-LZYBPNLTSA-N	-1	3	331.173	3.477	50	30		EGEAHM
[O-]c1ccc(Br)cc1C=NNc1nc2ccccc2[nH]1	ZINC000003902926	210089254	/nfs/dbraw/zinc/08/92/54/210089254.db2.gz	QVZBZEXZDHJZAW-LZYBPNLTSA-N	-1	3	331.173	3.477	50	30		EGEAHM
CCN(CC)CC#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1	ZINC000103402332	219296894	/nfs/dbraw/zinc/29/68/94/219296894.db2.gz	MBBZGOIEMWMOAS-SFHVURJKSA-N	-1	3	343.467	3.215	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1	ZINC000000450241	209608402	/nfs/dbraw/zinc/60/84/02/209608402.db2.gz	IHILZCUTYQDRNT-LBPRGKRZSA-N	-1	3	334.784	3.286	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1	ZINC000000450241	209608399	/nfs/dbraw/zinc/60/83/99/209608399.db2.gz	IHILZCUTYQDRNT-LBPRGKRZSA-N	-1	3	334.784	3.286	50	30		EGEAHM
C=CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)nc2)C1	ZINC000091745424	218057251	/nfs/dbraw/zinc/05/72/51/218057251.db2.gz	FIOGNQRICZJWES-OAHLLOKOSA-N	-1	3	328.334	3.343	50	30		EGEAHM
Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccccc1[O-]	ZINC000009434537	211082464	/nfs/dbraw/zinc/08/24/64/211082464.db2.gz	IJBYBGXTPBXYAI-UDWIEESQSA-N	-1	3	335.411	3.339	50	30		EGEAHM
O=C1Nc2ccccc2C1=N[N-]c1ncnc2sc3c(c21)CCCC3	ZINC000004579324	280303555	/nfs/dbraw/zinc/30/35/55/280303555.db2.gz	DLILUTTVWBCQEU-UHFFFAOYSA-N	-1	3	349.419	3.338	50	30		EGEAHM
C[C@H]1CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccc3ncccc3c2)C1	ZINC000012324836	453357150	/nfs/dbraw/zinc/35/71/50/453357150.db2.gz	POWUMKGEISIKOE-BMLIUANNSA-N	-1	3	347.378	3.450	50	30		EGEAHM
CC([O-])=C1C(=O)[C@@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O	ZINC000012956083	453430296	/nfs/dbraw/zinc/43/02/96/453430296.db2.gz	WJCPGKDPOYBOOJ-FJTRLSIBSA-N	-1	3	338.407	3.076	50	30		EGEAHM
CC(=O)C1=C([O-])[C@@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O	ZINC000012956083	453430303	/nfs/dbraw/zinc/43/03/03/453430303.db2.gz	WJCPGKDPOYBOOJ-FJTRLSIBSA-N	-1	3	338.407	3.076	50	30		EGEAHM
O=C1[N-]/C(=N\c2ccccc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000016956638	453624359	/nfs/dbraw/zinc/62/43/59/453624359.db2.gz	YWAGAWNYNWPBQU-AWEZNQCLSA-N	-1	3	327.365	3.057	50	30		EGEAHM
COc1cc(C=N[N-]c2nc3ccccc3o2)cc(OC)c1OC	ZINC000031939399	453858621	/nfs/dbraw/zinc/85/86/21/453858621.db2.gz	FKVNRRVOINSYRD-ZDLGFXPLSA-N	-1	3	327.340	3.300	50	30		EGEAHM
C=CCOc1ccc([C@@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc1	ZINC000012409509	211371851	/nfs/dbraw/zinc/37/18/51/211371851.db2.gz	NVBBMGGVXIFWEX-INIZCTEOSA-N	-1	3	338.367	3.220	50	30		EGEAHM
CC1(C)CC2=C(C(=O)C1)[C@]([O-])(C(F)(F)F)C(=O)N2C1CCCCC1	ZINC000002399214	280914037	/nfs/dbraw/zinc/91/40/37/280914037.db2.gz	YSIKFBDMPKHKGN-MRXNPFEDSA-N	-1	3	345.361	3.098	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccc(F)cc2)C1	ZINC000012323202	453354415	/nfs/dbraw/zinc/35/44/15/453354415.db2.gz	LOFJDLAFPFYNBN-AWEZNQCLSA-N	-1	3	328.347	3.431	50	30		EGEAHM
[O-]c1ccccc1/C=N/C(=S)C(=S)/N=C/c1ccccc1O	ZINC000071769571	454216511	/nfs/dbraw/zinc/21/65/11/454216511.db2.gz	AHHQAAQTSSKBRG-BEQMOXJMSA-N	-1	3	328.418	3.291	50	30		EGEAHM
Cc1ccc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[n-]2)c(C)c1	ZINC000020064190	202030604	/nfs/dbraw/zinc/03/06/04/202030604.db2.gz	NAXGDJAVXOBVMS-UHFFFAOYSA-N	-1	3	333.395	3.112	50	30		EGEAHM
C[C@H]1CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccc3ncccc3c2)C1	ZINC000012324838	207102536	/nfs/dbraw/zinc/10/25/36/207102536.db2.gz	POWUMKGEISIKOE-QGHHPUGFSA-N	-1	3	347.378	3.450	50	30		EGEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccccc2F)cc1	ZINC000000549046	452620479	/nfs/dbraw/zinc/62/04/79/452620479.db2.gz	WPFMHFXJFBZQDV-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccccc2F)cc1	ZINC000000549046	452620489	/nfs/dbraw/zinc/62/04/89/452620489.db2.gz	WPFMHFXJFBZQDV-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
C=CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)SC1=S	ZINC000001175706	452646047	/nfs/dbraw/zinc/64/60/47/452646047.db2.gz	IZBSLWKYENHXIH-YRNVUSSQSA-N	-1	3	341.841	3.441	50	30		EGEAHM
C=CCOc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000012347290	453357533	/nfs/dbraw/zinc/35/75/33/453357533.db2.gz	NXWZTHHBIOTFNT-OAHLLOKOSA-N	-1	3	337.379	3.245	50	30		EGEAHM
Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2	ZINC000015082930	453556125	/nfs/dbraw/zinc/55/61/25/453556125.db2.gz	ZVZAGDIUZJLHNZ-CQSZACIVSA-N	-1	3	342.782	3.263	50	30		EGEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000000443576	452592721	/nfs/dbraw/zinc/59/27/21/452592721.db2.gz	RCTFKTKAHCETDG-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(F)cc2)cc1	ZINC000000443576	452592725	/nfs/dbraw/zinc/59/27/25/452592725.db2.gz	RCTFKTKAHCETDG-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
C=CCc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1[O-]	ZINC000071479667	454207645	/nfs/dbraw/zinc/20/76/45/454207645.db2.gz	CIYDBDFHNRCFBN-UHFFFAOYSA-N	-1	3	345.406	3.346	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000102623791	454511763	/nfs/dbraw/zinc/51/17/63/454511763.db2.gz	PYHMPACXQITRJK-KMPOOHAWSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000102623791	454511766	/nfs/dbraw/zinc/51/17/66/454511766.db2.gz	PYHMPACXQITRJK-KMPOOHAWSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CCOc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1[O-]	ZINC000071575788	203099776	/nfs/dbraw/zinc/09/97/76/203099776.db2.gz	KDLWAMQDIHNRAK-UHFFFAOYSA-N	-1	3	349.394	3.314	50	30		EGEAHM
C=CCc1cccc2cc(-c3nc4ccccc4c(=O)[n-]3)c(=O)oc21	ZINC000005095344	210388587	/nfs/dbraw/zinc/38/85/87/210388587.db2.gz	AALQNWIWRDYWNK-UHFFFAOYSA-N	-1	3	330.343	3.425	50	30		EGEAHM
COC(=O)NC([N-]c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000003103338	452742796	/nfs/dbraw/zinc/74/27/96/452742796.db2.gz	IUYWXDWUZWSPSX-UHFFFAOYSA-N	-1	3	334.191	3.415	50	30		EGEAHM
COc1ccc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000012408712	295251221	/nfs/dbraw/zinc/25/12/21/295251221.db2.gz	IMJBNIWEJHIGLE-OAHLLOKOSA-N	-1	3	340.383	3.300	50	30		EGEAHM
[O-]c1cc(/C=N/c2ccc(I)cc2)ccc1O	ZINC000000046043	452496750	/nfs/dbraw/zinc/49/67/50/452496750.db2.gz	UFDISULNKHRZOO-OVCLIPMQSA-N	-1	3	339.132	3.453	50	30		EGEAHM
Cc1ccc([N-]/N=C(\C#N)S(=O)(=O)c2cc(C)ccc2F)cc1	ZINC000096511624	454373885	/nfs/dbraw/zinc/37/38/85/454373885.db2.gz	MYQUUSVFRHKZJP-CAPFRKAQSA-N	-1	3	331.372	3.165	50	30		EGEAHM
C=CCN(Cc1ccccc1OCC)C(=O)c1c([O-])cccc1O	ZINC000055270137	518788513	/nfs/dbraw/zinc/78/85/13/518788513.db2.gz	RAFMXQIREWMVEE-UHFFFAOYSA-N	-1	3	327.380	3.325	50	30		EGEAHM
C=CCN(Cc1nc(-c2ccccc2)no1)Cc1nc(C)ccc1[O-]	ZINC000055309736	214305494	/nfs/dbraw/zinc/30/54/94/214305494.db2.gz	SKGCYKNNBPBDBZ-UHFFFAOYSA-N	-1	3	336.395	3.334	50	30		EGEAHM
CCCn1ncc(-c2cc(-c3ccc([O-])c(O)c3)c(C#N)c(N)n2)c1C	ZINC000071765586	203110466	/nfs/dbraw/zinc/11/04/66/203110466.db2.gz	FTAUQBHKDVQZKB-UHFFFAOYSA-N	-1	3	349.394	3.196	50	30		EGEAHM
COc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012347467	295233045	/nfs/dbraw/zinc/23/30/45/295233045.db2.gz	BBBBQAZJXCCLDV-AWEZNQCLSA-N	-1	3	339.395	3.325	50	30		EGEAHM
COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1[O-]	ZINC000000147637	452520658	/nfs/dbraw/zinc/52/06/58/452520658.db2.gz	CNNNZEUWJKBHIX-VXLYETTFSA-N	-1	3	340.408	3.167	50	30		EGEAHM
C=CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000005243759	519033509	/nfs/dbraw/zinc/03/35/09/519033509.db2.gz	XMNFMSGWCSLBLS-UHFFFAOYSA-N	-1	3	327.380	3.248	50	30		EGEAHM
[O-]c1ccc2ccccc2c1/C=N/N1CCN(c2ccccn2)CC1	ZINC000015658714	526354912	/nfs/dbraw/zinc/35/49/12/526354912.db2.gz	VLMMPNVCLKLYPE-PXLXIMEGSA-N	-1	3	332.407	3.097	50	30		EGEAHM
C=CCc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1[O-]	ZINC000019891494	202025663	/nfs/dbraw/zinc/02/56/63/202025663.db2.gz	LWAMRPZXYOPFHT-CJLVFECKSA-N	-1	3	335.451	3.272	50	30		EGEAHM
COc1cc([O-])ccc1-c1c(C#N)c(N)nc2c1CCc1[nH]ccc1-2	ZINC000071755303	286239187	/nfs/dbraw/zinc/23/91/87/286239187.db2.gz	WKUAKXZHSBBAKC-UHFFFAOYSA-N	-1	3	332.363	3.010	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccnc4ccccc43)C12	ZINC000012322933	304624439	/nfs/dbraw/zinc/62/44/39/304624439.db2.gz	CBQFAUYLBCJWQB-INIZCTEOSA-N	-1	3	333.351	3.204	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1	ZINC000000079396	452500969	/nfs/dbraw/zinc/50/09/69/452500969.db2.gz	SHPLLJHOSVXHSP-HNNXBMFYSA-N	-1	3	328.755	3.224	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1	ZINC000000079396	452500976	/nfs/dbraw/zinc/50/09/76/452500976.db2.gz	SHPLLJHOSVXHSP-HNNXBMFYSA-N	-1	3	328.755	3.224	50	30		EGEAHM
N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc([O-])c1	ZINC000000089781	452504388	/nfs/dbraw/zinc/50/43/88/452504388.db2.gz	PXBZSWIEIPYBPW-UHFFFAOYSA-N	-1	3	325.331	3.186	50	30		EGEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000000443575	452593343	/nfs/dbraw/zinc/59/33/43/452593343.db2.gz	RCTFKTKAHCETDG-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(F)cc2)cc1	ZINC000000443575	452593350	/nfs/dbraw/zinc/59/33/50/452593350.db2.gz	RCTFKTKAHCETDG-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccc(OCc2ccccc2)cc1	ZINC000004106448	452793332	/nfs/dbraw/zinc/79/33/32/452793332.db2.gz	QLWVOVQXSJKHIB-YSURURNPSA-N	-1	3	344.378	3.378	50	30		EGEAHM
O=C([O-])CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000013116576	453447028	/nfs/dbraw/zinc/44/70/28/453447028.db2.gz	YHPXYKMSQIMFLO-MGPWXQLLSA-N	-1	3	326.377	3.297	50	30		EGEAHM
O=C1[N-]/C(=N/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000017028713	453626627	/nfs/dbraw/zinc/62/66/27/453626627.db2.gz	OFUSUYFICBTORD-AWEZNQCLSA-N	-1	3	327.365	3.057	50	30		EGEAHM
C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccccc1[O-]	ZINC000017072131	201985360	/nfs/dbraw/zinc/98/53/60/201985360.db2.gz	RWDWQJKAQZPYAB-RGEXLXHISA-N	-1	3	346.452	3.293	50	30		EGEAHM
CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(O)cc1[O-]	ZINC000002190125	201526084	/nfs/dbraw/zinc/52/60/84/201526084.db2.gz	ZMKBJRXMRXRIAB-GHRIWEEISA-N	-1	3	342.461	3.102	50	30		EGEAHM
N#CCc1nnc(CSc2ncc(C(F)(F)F)cc2Cl)[n-]1	ZINC000005753699	452899150	/nfs/dbraw/zinc/89/91/50/452899150.db2.gz	TXGTYFVXRVNTJT-UHFFFAOYSA-N	-1	3	333.726	3.230	50	30		EGEAHM
N#CCc1nc(CSc2ncc(C(F)(F)F)cc2Cl)n[n-]1	ZINC000005753699	452899158	/nfs/dbraw/zinc/89/91/58/452899158.db2.gz	TXGTYFVXRVNTJT-UHFFFAOYSA-N	-1	3	333.726	3.230	50	30		EGEAHM
N#CCc1n[n-]c(CSc2ncc(C(F)(F)F)cc2Cl)n1	ZINC000005753699	452899164	/nfs/dbraw/zinc/89/91/64/452899164.db2.gz	TXGTYFVXRVNTJT-UHFFFAOYSA-N	-1	3	333.726	3.230	50	30		EGEAHM
Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2	ZINC000015082932	302646727	/nfs/dbraw/zinc/64/67/27/302646727.db2.gz	ZVZAGDIUZJLHNZ-AWEZNQCLSA-N	-1	3	342.782	3.263	50	30		EGEAHM
O=S(=O)(N/N=C/c1cc(Cl)ccc1[O-])c1ccc(Cl)cc1	ZINC000000442013	452593400	/nfs/dbraw/zinc/59/34/00/452593400.db2.gz	GEWCDEYVNBYFFI-LZYBPNLTSA-N	-1	3	345.207	3.011	50	30		EGEAHM
CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1[O-]	ZINC000062779955	454385747	/nfs/dbraw/zinc/38/57/47/454385747.db2.gz	KYCWNZGXYIDXDK-SAPNQHFASA-N	-1	3	338.816	3.138	50	30		EGEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000102431589	454504906	/nfs/dbraw/zinc/50/49/06/454504906.db2.gz	GMPNMVHBJCPPJS-YTBHAWNYSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(F)cc2)cc1	ZINC000102431589	454504910	/nfs/dbraw/zinc/50/49/10/454504910.db2.gz	GMPNMVHBJCPPJS-YTBHAWNYSA-N	-1	3	341.338	3.323	50	30		EGEAHM
C#CCCCS(=O)(=O)[N-]c1ccc2oc(C(F)(F)F)nc2c1	ZINC000585136376	459828763	/nfs/dbraw/zinc/82/87/63/459828763.db2.gz	CTPLEGKFVCMICB-UHFFFAOYSA-N	-1	3	332.303	3.002	50	30		EGEAHM
C=CCN(Cc1ccccc1OC)C(=O)c1cc(OC)ccc1[O-]	ZINC000055074496	214269898	/nfs/dbraw/zinc/26/98/98/214269898.db2.gz	XATFLOYZTQQDSU-UHFFFAOYSA-N	-1	3	327.380	3.238	50	30		EGEAHM
O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1ccncc1	ZINC000020518047	212142982	/nfs/dbraw/zinc/14/29/82/212142982.db2.gz	XUZFOABLDIWBTO-PDGQHHTCSA-N	-1	3	336.391	3.389	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000000082741	452502203	/nfs/dbraw/zinc/50/22/03/452502203.db2.gz	HVCJIYUJGLOKAU-INIZCTEOSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000000082741	452502208	/nfs/dbraw/zinc/50/22/08/452502208.db2.gz	HVCJIYUJGLOKAU-INIZCTEOSA-N	-1	3	329.302	3.454	50	30		EGEAHM
O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccccc1[O-]	ZINC000000349424	452567650	/nfs/dbraw/zinc/56/76/50/452567650.db2.gz	PSZGBZQPQQYPQD-UDWIEESQSA-N	-1	3	331.331	3.244	50	30		EGEAHM
CCN(CC)C(=O)c1sc([N-]C(=O)c2ccco2)c(C#N)c1C	ZINC000000350697	452568080	/nfs/dbraw/zinc/56/80/80/452568080.db2.gz	RPYHLXBFTGRHOT-UHFFFAOYSA-N	-1	3	331.397	3.256	50	30		EGEAHM
O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000016956637	453624712	/nfs/dbraw/zinc/62/47/12/453624712.db2.gz	YWAGAWNYNWPBQU-CQSZACIVSA-N	-1	3	327.365	3.057	50	30		EGEAHM
CCOc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195425	453647473	/nfs/dbraw/zinc/64/74/73/453647473.db2.gz	NVBCPFATVBHZOI-CQSZACIVSA-N	-1	3	325.368	3.079	50	30		EGEAHM
CCOc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195425	453647475	/nfs/dbraw/zinc/64/74/75/453647475.db2.gz	NVBCPFATVBHZOI-CQSZACIVSA-N	-1	3	325.368	3.079	50	30		EGEAHM
CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000100070299	219090268	/nfs/dbraw/zinc/09/02/68/219090268.db2.gz	VDTLKQBTGGNDMW-TYJAPOHBSA-N	-1	3	334.379	3.386	50	30		EGEAHM
[O-]c1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1	ZINC000019771348	212063261	/nfs/dbraw/zinc/06/32/61/212063261.db2.gz	ARDWODGNHLSJCV-DEDYPNTBSA-N	-1	3	329.831	3.197	50	30		EGEAHM
Cc1nc2sc3c(c2c([N-]N=C2c4ccccc4NC2=O)n1)CCC3	ZINC000013123299	279145542	/nfs/dbraw/zinc/14/55/42/279145542.db2.gz	RHAHLXBWBBZLBX-UHFFFAOYSA-N	-1	3	349.419	3.257	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000000283365	452553780	/nfs/dbraw/zinc/55/37/80/452553780.db2.gz	YEURINGIJKHIBZ-HNNXBMFYSA-N	-1	3	328.755	3.224	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000000283365	452553790	/nfs/dbraw/zinc/55/37/90/452553790.db2.gz	YEURINGIJKHIBZ-HNNXBMFYSA-N	-1	3	328.755	3.224	50	30		EGEAHM
[O-]c1cc(O)ccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000001306850	452653611	/nfs/dbraw/zinc/65/36/11/452653611.db2.gz	PKIQGRJZAFBQMT-CAOOACKPSA-N	-1	3	346.799	3.181	50	30		EGEAHM
COc1cccc(/C=C2\S/C(=N\c3ccccc3[O-])NC2=O)c1	ZINC000005661973	452892212	/nfs/dbraw/zinc/89/22/12/452892212.db2.gz	VEPCMXXGSQOYEO-GDNBJRDFSA-N	-1	3	326.377	3.292	50	30		EGEAHM
O=c1oc2ccccc2cc1-c1csc(=NN=Cc2ccco2)[n-]1	ZINC000003898066	527498936	/nfs/dbraw/zinc/49/89/36/527498936.db2.gz	VLTUMZDAPJAKRL-GIJQJNRQSA-N	-1	3	337.360	3.377	50	30		EGEAHM
Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931470	219111954	/nfs/dbraw/zinc/11/19/54/219111954.db2.gz	AUMOZAVJUWJNNN-BKUYFWCQSA-N	-1	3	327.384	3.064	50	30		EGEAHM
CCn1cc(CN2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1C#N	ZINC000072419440	216207645	/nfs/dbraw/zinc/20/76/45/216207645.db2.gz	AZTWAZBNLAJDSI-MRXNPFEDSA-N	-1	3	337.423	3.142	50	30		EGEAHM
C[C@@H]1CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccc3ncccc3c2)C1	ZINC000012324835	296264826	/nfs/dbraw/zinc/26/48/26/296264826.db2.gz	POWUMKGEISIKOE-DYZYQPBXSA-N	-1	3	347.378	3.450	50	30		EGEAHM
O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccc4ncccc4c3)C12	ZINC000012324640	211347858	/nfs/dbraw/zinc/34/78/58/211347858.db2.gz	ZYQKYTHYQPANGM-INIZCTEOSA-N	-1	3	333.351	3.204	50	30		EGEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000000070765	452498332	/nfs/dbraw/zinc/49/83/32/452498332.db2.gz	JZXNDABXKWJPGE-GOSISDBHSA-N	-1	3	337.375	3.493	50	30		EGEAHM
Cc1nc2ccccc2c(=O)n1/N=C/c1c([O-])ccc2ccccc21	ZINC000000348439	452567733	/nfs/dbraw/zinc/56/77/33/452567733.db2.gz	JGLXBMHDKKBLJV-CIAFOILYSA-N	-1	3	329.359	3.446	50	30		EGEAHM
COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccccc2F)c1	ZINC000000548645	452620522	/nfs/dbraw/zinc/62/05/22/452620522.db2.gz	FALARGXHXHDVOU-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccccc2F)c1	ZINC000000548645	452620533	/nfs/dbraw/zinc/62/05/33/452620533.db2.gz	FALARGXHXHDVOU-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c([O-])c1	ZINC000004663480	452812048	/nfs/dbraw/zinc/81/20/48/452812048.db2.gz	AESMJBULZCGUSJ-XSFVSMFZSA-N	-1	3	326.396	3.378	50	30		EGEAHM
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C(C)=N\[O-])cc2)cc1	ZINC000013115856	453447980	/nfs/dbraw/zinc/44/79/80/453447980.db2.gz	ZOHHXJQOQLECCJ-UAAGNOOKSA-N	-1	3	328.368	3.299	50	30		EGEAHM
Cc1ccc(O)c([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000018195585	453647906	/nfs/dbraw/zinc/64/79/06/453647906.db2.gz	MVADLTRLYGCRIR-CQSZACIVSA-N	-1	3	339.395	3.330	50	30		EGEAHM
COC(=O)c1ccc2c(c1)[n-]c(C1C(=O)c3ccccc3C1=O)cc2=O	ZINC000100430257	219099349	/nfs/dbraw/zinc/09/93/49/219099349.db2.gz	LZLNXDCVEIOSAM-UHFFFAOYSA-N	-1	3	347.326	3.131	50	30		EGEAHM
[O-]c1ccc(Br)cc1CN=Nc1nccnc1Cl	ZINC000004947220	210336276	/nfs/dbraw/zinc/33/62/76/210336276.db2.gz	KEPJSWWDSLRROQ-OMCISZLKSA-N	-1	3	327.569	3.044	50	30		EGEAHM
C=CCOc1ccc(Br)cc1C=C1SC(=O)[N-]C1=O	ZINC000002169561	258017407	/nfs/dbraw/zinc/01/74/07/258017407.db2.gz	GOFFEXNGJFTKIP-YRNVUSSQSA-N	-1	3	340.198	3.338	50	30		EGEAHM
N#Cc1c([N-]C(=S)NC(=O)c2ccccc2F)sc2c1CCC2	ZINC000004699732	210251559	/nfs/dbraw/zinc/25/15/59/210251559.db2.gz	LRPAQNNWGQIVMV-UHFFFAOYSA-N	-1	3	345.424	3.374	50	30		EGEAHM
Cn1ncc(-c2c3c(nc(N)c2C#N)-c2cccc([O-])c2C3)c1C1CC1	ZINC000071755262	282816091	/nfs/dbraw/zinc/81/60/91/282816091.db2.gz	XFFPEUCIBWNNMR-UHFFFAOYSA-N	-1	3	343.390	3.090	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccccc1O	ZINC000018195176	280891670	/nfs/dbraw/zinc/89/16/70/280891670.db2.gz	YKANEOCZZGTQLO-CYBMUJFWSA-N	-1	3	325.368	3.022	50	30		EGEAHM
Cc1ccc(O)c([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)c2ccccc23)c1	ZINC000018196218	453647572	/nfs/dbraw/zinc/64/75/72/453647572.db2.gz	GHFONLVPGTTXLS-CQSZACIVSA-N	-1	3	345.358	3.294	50	30		EGEAHM
Cc1ccc(O)c([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)c2ccccc23)c1	ZINC000018196218	453647576	/nfs/dbraw/zinc/64/75/76/453647576.db2.gz	GHFONLVPGTTXLS-CQSZACIVSA-N	-1	3	345.358	3.294	50	30		EGEAHM
C=C(C)COc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1	ZINC000142645970	1293861114	/nfs/dbraw/zinc/86/11/14/1293861114.db2.gz	MPDIVWAICMFEPI-UHFFFAOYSA-N	-1	3	335.367	3.074	50	30		EGEAHM
C=C(C)COc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1	ZINC000142645970	1293861118	/nfs/dbraw/zinc/86/11/18/1293861118.db2.gz	MPDIVWAICMFEPI-UHFFFAOYSA-N	-1	3	335.367	3.074	50	30		EGEAHM
CCOc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195427	453647631	/nfs/dbraw/zinc/64/76/31/453647631.db2.gz	NVBCPFATVBHZOI-AWEZNQCLSA-N	-1	3	325.368	3.079	50	30		EGEAHM
CCOc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195427	453647633	/nfs/dbraw/zinc/64/76/33/453647633.db2.gz	NVBCPFATVBHZOI-AWEZNQCLSA-N	-1	3	325.368	3.079	50	30		EGEAHM
O=C1C[C@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1[O-]	ZINC000071281379	454203630	/nfs/dbraw/zinc/20/36/30/454203630.db2.gz	BEAQWFCNVPZFBD-YFEUJDIGSA-N	-1	3	345.196	3.462	50	30		EGEAHM
Cc1cc([O-])ccc1-c1cc(-c2cc(C#N)n(C)c2)c(C#N)c(N)n1	ZINC000071762691	454215230	/nfs/dbraw/zinc/21/52/30/454215230.db2.gz	HEEKHQLAJANBJA-UHFFFAOYSA-N	-1	3	329.363	3.094	50	30		EGEAHM
O=S(=O)(c1ccc(/N=C/c2ccccc2[O-])cc1)N1CCCCC1	ZINC000000358116	518202852	/nfs/dbraw/zinc/20/28/52/518202852.db2.gz	LQQQAWAOPATSTM-XMHGGMMESA-N	-1	3	344.436	3.317	50	30		EGEAHM
C=CCn1cc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1	ZINC000095381272	454200761	/nfs/dbraw/zinc/20/07/61/454200761.db2.gz	NEJHDYVDECEXEN-SFHVURJKSA-N	-1	3	339.439	3.455	50	30		EGEAHM
C=CCc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)ccc1[O-]	ZINC000071748974	454213273	/nfs/dbraw/zinc/21/32/73/454213273.db2.gz	HUECJBYHQFNQQP-WMLDXEAASA-N	-1	3	346.434	3.328	50	30		EGEAHM
N#Cc1ccc(CN2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1	ZINC000072421079	216208854	/nfs/dbraw/zinc/20/88/54/216208854.db2.gz	FVPQLQPKRWOTDC-UHFFFAOYSA-N	-1	3	336.391	3.056	50	30		EGEAHM
C=CCn1nnc([N-]C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)n1	ZINC000010148865	258018200	/nfs/dbraw/zinc/01/82/00/258018200.db2.gz	UWVQFIGWHUXRAO-UHFFFAOYSA-N	-1	3	347.737	3.164	50	30		EGEAHM
CC(C)N1/C(=C\c2ccccc2[O-])C(=O)c2ccccc2S1(=O)=O	ZINC000008991264	277576020	/nfs/dbraw/zinc/57/60/20/277576020.db2.gz	XGMXMMJFUWKJCB-PTNGSMBKSA-N	-1	3	343.404	3.029	50	30		EGEAHM
COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc([O-])cc2)C1=O	ZINC000004703148	210253009	/nfs/dbraw/zinc/25/30/09/210253009.db2.gz	OZUGUKPGQGIIOU-SFQUDFHCSA-N	-1	3	335.359	3.269	50	30		EGEAHM
C=CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)nc2)C1	ZINC000091745423	218057467	/nfs/dbraw/zinc/05/74/67/218057467.db2.gz	FIOGNQRICZJWES-HNNXBMFYSA-N	-1	3	328.334	3.343	50	30		EGEAHM
COc1ccccc1[C@H]1[N-]c2nonc2N=C2CC(C)(C)CC(=O)C21	ZINC000012390456	295414907	/nfs/dbraw/zinc/41/49/07/295414907.db2.gz	GKRRZXYTXRUJIC-OAHLLOKOSA-N	-1	3	340.383	3.300	50	30		EGEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000000273540	452551540	/nfs/dbraw/zinc/55/15/40/452551540.db2.gz	KAHAVDPIYHSQCH-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(F)cc2)cc1	ZINC000000273540	452551549	/nfs/dbraw/zinc/55/15/49/452551549.db2.gz	KAHAVDPIYHSQCH-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
C=CCN=C([S-])NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000013555805	453469832	/nfs/dbraw/zinc/46/98/32/453469832.db2.gz	ATRBCTXFHAKHQB-LICLKQGHSA-N	-1	3	330.369	3.250	50	30		EGEAHM
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc2ccccc2c1[O-]	ZINC000000535319	452616477	/nfs/dbraw/zinc/61/64/77/452616477.db2.gz	NSAWECSBDKFMHX-CIAFOILYSA-N	-1	3	329.359	3.446	50	30		EGEAHM
CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1	ZINC000017068365	453627932	/nfs/dbraw/zinc/62/79/32/453627932.db2.gz	QPHZERASANRUED-HTMJNSLASA-N	-1	3	332.425	3.218	50	30		EGEAHM
CCc1nc(-c2c3c(nc(N)c2C#N)-c2cccc([O-])c2C3)c(C)[nH]1	ZINC000071405867	454206830	/nfs/dbraw/zinc/20/68/30/454206830.db2.gz	KCKQRXZKXNKZPL-UHFFFAOYSA-N	-1	3	331.379	3.073	50	30		EGEAHM
CCOc1cc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)ccc1[O-]	ZINC000071759281	454215781	/nfs/dbraw/zinc/21/57/81/454215781.db2.gz	JEFGDCLJUHMLSX-UHFFFAOYSA-N	-1	3	349.394	3.016	50	30		EGEAHM
Nc1cccc(C(=O)OC/C(=N/[O-])c2ccc(Br)cc2)c1	ZINC000102519869	454507808	/nfs/dbraw/zinc/50/78/08/454507808.db2.gz	HWGCNYNSAKJKQV-JXAWBTAJSA-N	-1	3	349.184	3.067	50	30		EGEAHM
COc1ccc(/C=C2\Oc3c(cc(CN(C)C)c([O-])c3C)C2=O)cc1	ZINC000020759720	212170144	/nfs/dbraw/zinc/17/01/44/212170144.db2.gz	CTPNAINTXXXPGL-MFOYZWKCSA-N	-1	3	339.391	3.387	50	30	biogenic	EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000000035068	452493735	/nfs/dbraw/zinc/49/37/35/452493735.db2.gz	DUISCRIIYHFMHZ-MRXNPFEDSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000000035068	452493741	/nfs/dbraw/zinc/49/37/41/452493741.db2.gz	DUISCRIIYHFMHZ-MRXNPFEDSA-N	-1	3	329.302	3.454	50	30		EGEAHM
O=C1N/C(=N/c2cccc([O-])c2)S/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000005593550	452886730	/nfs/dbraw/zinc/88/67/30/452886730.db2.gz	AQGJOQSLPDCUSR-ZSOIEALJSA-N	-1	3	341.348	3.192	50	30		EGEAHM
CSc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1	ZINC000012347195	453357326	/nfs/dbraw/zinc/35/73/26/453357326.db2.gz	PTJSGRZVMCHBPK-ZDUSSCGKSA-N	-1	3	327.409	3.402	50	30		EGEAHM
COc1cc([O-])c(/C=C/C(=O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000252479485	455807048	/nfs/dbraw/zinc/80/70/48/455807048.db2.gz	BGEVJUMWUMFIFP-VOTSOKGWSA-N	-1	3	344.363	3.323	50	30		EGEAHM
CCn1cc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)cc1C#N	ZINC000067822107	215223162	/nfs/dbraw/zinc/22/31/62/215223162.db2.gz	WHRLBAHDPIIYQN-UHFFFAOYSA-N	-1	3	329.363	3.268	50	30		EGEAHM
Cc1cc([O-])c(CN2CCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2	ZINC000020573598	212148505	/nfs/dbraw/zinc/14/85/05/212148505.db2.gz	VUOXLDWFLGVSQN-YVLHZVERSA-N	-1	3	336.391	3.308	50	30		EGEAHM
CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1	ZINC000020468221	212134945	/nfs/dbraw/zinc/13/49/45/212134945.db2.gz	LDJGTGYXLGLYDP-LDADJPATSA-N	-1	3	332.425	3.002	50	30		EGEAHM
CC(=O)C1=C(C)Oc2nc(C)[n-]c(=O)c2[C@H]1c1ccc(Cl)cc1	ZINC000015083780	211801657	/nfs/dbraw/zinc/80/16/57/211801657.db2.gz	OLODVAMUQZNOAE-AWEZNQCLSA-N	-1	3	330.771	3.119	50	30		EGEAHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1cccnc1	ZINC000009319149	211067676	/nfs/dbraw/zinc/06/76/76/211067676.db2.gz	WZSUPWOWOUQTDL-RGVLZGJSSA-N	-1	3	347.403	3.370	50	30		EGEAHM
O=C([O-])CC1S/C(=N\N=C2CCCCC2)N(c2ccccc2)C1=O	ZINC000013139863	453449357	/nfs/dbraw/zinc/44/93/57/453449357.db2.gz	YGVUHDPOGGNSET-STGLLQLASA-N	-1	3	345.424	3.286	50	30		EGEAHM
C=CCSc1nnc(NN=Cc2cccc(Br)c2)[n-]1	ZINC000006856153	519085819	/nfs/dbraw/zinc/08/58/19/519085819.db2.gz	PWBYWERIVIYEHD-RIYZIHGNSA-N	-1	3	338.234	3.291	50	30		EGEAHM
C=CCSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1	ZINC000006856153	519085825	/nfs/dbraw/zinc/08/58/25/519085825.db2.gz	PWBYWERIVIYEHD-RIYZIHGNSA-N	-1	3	338.234	3.291	50	30		EGEAHM
COC(=O)c1cccc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)c1	ZINC000067678061	215182163	/nfs/dbraw/zinc/18/21/63/215182163.db2.gz	UIUHFCIZDVRUFX-UHFFFAOYSA-N	-1	3	345.358	3.362	50	30		EGEAHM
Cc1nc2ccccc2c(=O)n1/N=C\c1ccc2ccccc2c1[O-]	ZINC000039944334	302664899	/nfs/dbraw/zinc/66/48/99/302664899.db2.gz	NSAWECSBDKFMHX-MTJSOVHGSA-N	-1	3	329.359	3.446	50	30		EGEAHM
Cc1ncc(CO)c(/C=N/N=C/c2cccc(Cl)c2Cl)c1[O-]	ZINC000003003525	452740480	/nfs/dbraw/zinc/74/04/80/452740480.db2.gz	YQAIAYRQADWNMB-UPICDLATSA-N	-1	3	338.194	3.348	50	30		EGEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccco3)sc2C1	ZINC000003096995	452741386	/nfs/dbraw/zinc/74/13/86/452741386.db2.gz	AHTZTOKJEIRBTO-VIFPVBQESA-N	-1	3	345.449	3.464	50	30		EGEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000102431595	454505244	/nfs/dbraw/zinc/50/52/44/454505244.db2.gz	GMPNMVHBJCPPJS-ABPVARSCSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(F)cc2)cc1	ZINC000102431595	454505247	/nfs/dbraw/zinc/50/52/47/454505247.db2.gz	GMPNMVHBJCPPJS-ABPVARSCSA-N	-1	3	341.338	3.323	50	30		EGEAHM
CCCCCCCc1c([O-])nc(SCC[NH+](CC)CC)[n-]c1=O	ZINC000029747413	520070579	/nfs/dbraw/zinc/07/05/79/520070579.db2.gz	LXXBYKVHXTWHGY-UHFFFAOYSA-N	-1	3	341.521	3.422	50	30		EGEAHM
Cc1nc(NC(=N)Nc2ccc(Oc3ccccc3)cc2)[n-]c(=O)c1C	ZINC000020028221	526628664	/nfs/dbraw/zinc/62/86/64/526628664.db2.gz	WRCZTSNNUMHNIC-UHFFFAOYSA-N	-1	3	349.394	3.237	50	30		EGEAHM
N#Cc1c([N-]C(=S)NC(=O)c2cccs2)sc2c1CCC2	ZINC000002364829	209844655	/nfs/dbraw/zinc/84/46/55/209844655.db2.gz	FHJYAGNFBALNRQ-UHFFFAOYSA-N	-1	3	333.463	3.297	50	30		EGEAHM
Cc1ccc(O)c([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)c2ccccc23)c1	ZINC000018196216	292165916	/nfs/dbraw/zinc/16/59/16/292165916.db2.gz	GHFONLVPGTTXLS-AWEZNQCLSA-N	-1	3	345.358	3.294	50	30		EGEAHM
Cc1ccc(O)c([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)c2ccccc23)c1	ZINC000018196216	292165917	/nfs/dbraw/zinc/16/59/17/292165917.db2.gz	GHFONLVPGTTXLS-AWEZNQCLSA-N	-1	3	345.358	3.294	50	30		EGEAHM
COc1ccc(/C=C/C(=O)NC(=S)[N-]c2ccccc2C#N)cc1	ZINC000000267129	452549869	/nfs/dbraw/zinc/54/98/69/452549869.db2.gz	AAPABKAWMCTXLD-DHZHZOJOSA-N	-1	3	337.404	3.093	50	30		EGEAHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccccn1	ZINC000001249678	452648472	/nfs/dbraw/zinc/64/84/72/452648472.db2.gz	MZHCWSQYPLTGMR-RGVLZGJSSA-N	-1	3	347.403	3.370	50	30		EGEAHM
[O-]C(=CN=Nc1ncc(C(F)(F)F)cc1Cl)c1ccccn1	ZINC000001383330	452656442	/nfs/dbraw/zinc/65/64/42/452656442.db2.gz	YMZYHDROAAZMAJ-IFRROFPPSA-N	-1	3	328.681	3.429	50	30		EGEAHM
CCOC(=O)C(=N[N-]c1ncnc2ccccc21)c1cccs1	ZINC000004536975	452807141	/nfs/dbraw/zinc/80/71/41/452807141.db2.gz	TXJKOMMSSWTHSI-RGEXLXHISA-N	-1	3	326.381	3.071	50	30		EGEAHM
Cc1ccc2nc(C3C([O-])=CN(C4CCCCCCC4)C3=N)[nH]c2c1	ZINC000005182886	452843148	/nfs/dbraw/zinc/84/31/48/452843148.db2.gz	SNOLFIZCPGKARD-UHFFFAOYSA-N	-1	3	338.455	3.496	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccccc1F	ZINC000012348642	453355990	/nfs/dbraw/zinc/35/59/90/453355990.db2.gz	VROWFWQGPKMLPZ-ZDUSSCGKSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@H]2c1ccccc1F	ZINC000012348642	453355995	/nfs/dbraw/zinc/35/59/95/453355995.db2.gz	VROWFWQGPKMLPZ-ZDUSSCGKSA-N	-1	3	327.359	3.455	50	30		EGEAHM
CC([O-])=C1C(=O)[C@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O	ZINC000101145329	454469495	/nfs/dbraw/zinc/46/94/95/454469495.db2.gz	WJCPGKDPOYBOOJ-QXBIRMTDSA-N	-1	3	338.407	3.076	50	30		EGEAHM
CC(=O)C1=C([O-])[C@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O	ZINC000101145329	454469500	/nfs/dbraw/zinc/46/95/00/454469500.db2.gz	WJCPGKDPOYBOOJ-QXBIRMTDSA-N	-1	3	338.407	3.076	50	30		EGEAHM
[O-]c1ccccc1C=NNc1nc2c(ccc3ccccc23)n1CCO	ZINC000252679452	455828111	/nfs/dbraw/zinc/82/81/11/455828111.db2.gz	MRWXHKXZVWTVAC-UHFFFAOYSA-N	-1	3	346.390	3.333	50	30		EGEAHM
Cc1cc(=NN=Cc2ccc(O)cc2[O-])nc(NCc2ccccc2)[nH]1	ZINC000004812384	525044406	/nfs/dbraw/zinc/04/44/06/525044406.db2.gz	AAJFGGUEQQNIBO-CIAFOILYSA-N	-1	3	349.394	3.254	50	30		EGEAHM
C#CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1	ZINC000004108972	210122084	/nfs/dbraw/zinc/12/20/84/210122084.db2.gz	QRQGUVQUPKMGAU-UHFFFAOYSA-N	-1	3	331.359	3.320	50	30		EGEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1cccnc1)CCCC2	ZINC000000229984	283083118	/nfs/dbraw/zinc/08/31/18/283083118.db2.gz	MHECDMNNQXOYSU-UHFFFAOYSA-N	-1	3	342.449	3.020	50	30		EGEAHM
COc1cc([O-])ccc1-c1c2c(nc(N)c1C#N)-c1cccc(O)c1C2	ZINC000071749052	286239195	/nfs/dbraw/zinc/23/91/95/286239195.db2.gz	KKHSWJWTPJXTQH-UHFFFAOYSA-N	-1	3	345.358	3.193	50	30		EGEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000000273549	452553185	/nfs/dbraw/zinc/55/31/85/452553185.db2.gz	KAHAVDPIYHSQCH-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(F)cc2)cc1	ZINC000000273549	452553188	/nfs/dbraw/zinc/55/31/88/452553188.db2.gz	KAHAVDPIYHSQCH-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000000536451	452618280	/nfs/dbraw/zinc/61/82/80/452618280.db2.gz	ZRTXXARWKAJJSZ-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(F)cc2)c1	ZINC000000536451	452618287	/nfs/dbraw/zinc/61/82/87/452618287.db2.gz	ZRTXXARWKAJJSZ-KRWDZBQOSA-N	-1	3	341.338	3.323	50	30		EGEAHM
CC(=O)Nc1nnc(SCc2ccc(Br)cc2)[n-]1	ZINC000005444066	452872670	/nfs/dbraw/zinc/87/26/70/452872670.db2.gz	LJVBRFXPICFQBR-UHFFFAOYSA-N	-1	3	327.207	3.467	50	30		EGEAHM
CC(=O)Nc1nc(SCc2ccc(Br)cc2)n[n-]1	ZINC000005444066	452872676	/nfs/dbraw/zinc/87/26/76/452872676.db2.gz	LJVBRFXPICFQBR-UHFFFAOYSA-N	-1	3	327.207	3.467	50	30		EGEAHM
CC(=O)Nc1n[n-]c(SCc2ccc(Br)cc2)n1	ZINC000005444066	452872682	/nfs/dbraw/zinc/87/26/82/452872682.db2.gz	LJVBRFXPICFQBR-UHFFFAOYSA-N	-1	3	327.207	3.467	50	30		EGEAHM
CCC(=O)Nc1ccccc1C(=O)OC/C(=N/[O-])c1ccccc1	ZINC000102519834	454508004	/nfs/dbraw/zinc/50/80/04/454508004.db2.gz	SZVOKNALKZMGME-SILNSSARSA-N	-1	3	326.352	3.070	50	30		EGEAHM
Cc1ccc(S(=O)(=O)NN=Cc2c([O-])ccc3ccccc32)cc1	ZINC000254834036	455856324	/nfs/dbraw/zinc/85/63/24/455856324.db2.gz	RGNFUPWYQNYCNG-UHFFFAOYSA-N	-1	3	340.404	3.166	50	30		EGEAHM
CN(C)[C@@H](C/N=C(\[O-])c1cc2ccccc2oc1=O)c1cccs1	ZINC000028291405	522009023	/nfs/dbraw/zinc/00/90/23/522009023.db2.gz	OBXVKCVZDTWGHN-AWEZNQCLSA-N	-1	3	342.420	3.462	50	30		EGEAHM
CN(C)c1ccc(/C=C2\S/C(=N\c3cccc([O-])c3)NC2=O)cc1	ZINC000016904689	282280783	/nfs/dbraw/zinc/28/07/83/282280783.db2.gz	JMKBOWRPYICIKS-YBEGLDIGSA-N	-1	3	339.420	3.350	50	30		EGEAHM
C=CCc1cccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)c1[O-]	ZINC000004828206	210290108	/nfs/dbraw/zinc/29/01/08/210290108.db2.gz	DMZCTXPOJFFNDW-SSDVNMTOSA-N	-1	3	344.374	3.194	50	30		EGEAHM
Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c([O-])c1O	ZINC000242648757	258000602	/nfs/dbraw/zinc/00/06/02/258000602.db2.gz	RGGFUBMUOVFZEF-UHFFFAOYSA-N	-1	3	347.440	3.090	50	30		EGEAHM
[O-]c1ccc(Cl)cc1[C@@H](C#Cc1ccccc1)N1CCOCC1	ZINC000019770599	296591216	/nfs/dbraw/zinc/59/12/16/296591216.db2.gz	AEMGXLDTHKNMOY-GOSISDBHSA-N	-1	3	327.811	3.471	50	30		EGEAHM
COc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012347458	295252969	/nfs/dbraw/zinc/25/29/69/295252969.db2.gz	BBBBQAZJXCCLDV-CQSZACIVSA-N	-1	3	339.395	3.325	50	30		EGEAHM
O=S(=O)(/N=C/c1cc(Br)ccc1[O-])c1cccs1	ZINC000018041725	453641925	/nfs/dbraw/zinc/64/19/25/453641925.db2.gz	RLJPAGCXRRUBGH-NTUHNPAUSA-N	-1	3	346.227	3.024	50	30		EGEAHM
CCOC(=O)C(C)=NN=c1[n-]c(-c2ccc(NC(C)=O)cc2)cs1	ZINC000000551161	520398560	/nfs/dbraw/zinc/39/85/60/520398560.db2.gz	POISWBUJONFAHJ-VXLYETTFSA-N	-1	3	346.412	3.119	50	30		EGEAHM
COC(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)[n-]1	ZINC000017117891	258056760	/nfs/dbraw/zinc/05/67/60/258056760.db2.gz	NJFAAAOMAMNFFY-UHFFFAOYSA-N	-1	3	332.307	3.308	50	30		EGEAHM
COC(=O)Nc1nc(SCc2cccc(C(F)(F)F)c2)n[n-]1	ZINC000017117891	258056761	/nfs/dbraw/zinc/05/67/61/258056761.db2.gz	NJFAAAOMAMNFFY-UHFFFAOYSA-N	-1	3	332.307	3.308	50	30		EGEAHM
COC(=O)Nc1n[n-]c(SCc2cccc(C(F)(F)F)c2)n1	ZINC000017117891	258056763	/nfs/dbraw/zinc/05/67/63/258056763.db2.gz	NJFAAAOMAMNFFY-UHFFFAOYSA-N	-1	3	332.307	3.308	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000535237	452615989	/nfs/dbraw/zinc/61/59/89/452615989.db2.gz	IFMLKNGOPSNUJP-INIZCTEOSA-N	-1	3	338.319	3.084	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000535237	452615995	/nfs/dbraw/zinc/61/59/95/452615995.db2.gz	IFMLKNGOPSNUJP-INIZCTEOSA-N	-1	3	338.319	3.084	50	30		EGEAHM
CC([O-])=C1C(=O)[C@@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O	ZINC000012956093	453430755	/nfs/dbraw/zinc/43/07/55/453430755.db2.gz	WJCPGKDPOYBOOJ-NRXCIGNBSA-N	-1	3	338.407	3.076	50	30		EGEAHM
CC(=O)C1=C([O-])[C@@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O	ZINC000012956093	453430758	/nfs/dbraw/zinc/43/07/58/453430758.db2.gz	WJCPGKDPOYBOOJ-NRXCIGNBSA-N	-1	3	338.407	3.076	50	30		EGEAHM
CC/C(=N/NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1[O-]	ZINC000017068376	453628128	/nfs/dbraw/zinc/62/81/28/453628128.db2.gz	NEPRFAOETCBCDC-VLGSPTGOSA-N	-1	3	332.425	3.047	50	30		EGEAHM
Cc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000044974042	454130674	/nfs/dbraw/zinc/13/06/74/454130674.db2.gz	UNSRNGSULWDDQC-OAHLLOKOSA-N	-1	3	335.407	3.279	50	30		EGEAHM
Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931479	219112181	/nfs/dbraw/zinc/11/21/81/219112181.db2.gz	DERCNGDWDXYRTD-BKUYFWCQSA-N	-1	3	327.384	3.064	50	30		EGEAHM
Cc1ccc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1C	ZINC000020477870	212135474	/nfs/dbraw/zinc/13/54/74/212135474.db2.gz	YYXAVQFEXBWHOU-UHFFFAOYSA-N	-1	3	333.395	3.112	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1nc2ccccc2[nH]1	ZINC000018195629	453647927	/nfs/dbraw/zinc/64/79/27/453647927.db2.gz	FOMBPNJUOVFZHP-AWEZNQCLSA-N	-1	3	349.394	3.192	50	30		EGEAHM
CCCn1cc(-c2cc(-c3ccc([O-])cc3)c(C#N)c(N)n2)c(C)n1	ZINC000071764260	454216499	/nfs/dbraw/zinc/21/64/99/454216499.db2.gz	SWDSBKBGOFPAPL-UHFFFAOYSA-N	-1	3	333.395	3.490	50	30		EGEAHM
Cc1cccc(COc2ccc(C=NNc3nc([O-])cs3)cc2)c1	ZINC000013942795	524445791	/nfs/dbraw/zinc/44/57/91/524445791.db2.gz	RVEBXWWXBZNFBC-VXLYETTFSA-N	-1	3	339.420	3.127	50	30		EGEAHM
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)[N-]/C(=N\c2ccccc2)S1	ZINC000013552690	284306390	/nfs/dbraw/zinc/30/63/90/284306390.db2.gz	VMCBSUJRIDQQNW-CQSZACIVSA-N	-1	3	343.383	3.074	50	30		EGEAHM
CCOc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1[O-]	ZINC000071774785	258063986	/nfs/dbraw/zinc/06/39/86/258063986.db2.gz	AMNOSQUKVSJFEG-UHFFFAOYSA-N	-1	3	349.394	3.016	50	30		EGEAHM
COc1ccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000012408711	295228336	/nfs/dbraw/zinc/22/83/36/295228336.db2.gz	IMJBNIWEJHIGLE-HNNXBMFYSA-N	-1	3	340.383	3.300	50	30		EGEAHM
CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccc(F)cc2)C1	ZINC000012323201	517502937	/nfs/dbraw/zinc/50/29/37/517502937.db2.gz	LOFJDLAFPFYNBN-CQSZACIVSA-N	-1	3	328.347	3.431	50	30		EGEAHM
COc1ccc(/C=C2\Oc3cc(C)cc([O-])c3C2=O)c(OC)c1OC	ZINC000011865206	211260924	/nfs/dbraw/zinc/26/09/24/211260924.db2.gz	DQIDXNMZTNSJTF-DHDCSXOGSA-N	-1	3	342.347	3.343	50	30	biogenic	EGEAHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccncc1	ZINC000001259923	452649100	/nfs/dbraw/zinc/64/91/00/452649100.db2.gz	CMAIWILCYITNEX-RGVLZGJSSA-N	-1	3	347.403	3.370	50	30		EGEAHM
CC1(C)CC2=C(C(=O)C1)[C@@]([O-])(C(F)(F)F)C(=O)N2C1CCCCC1	ZINC000002399213	452695796	/nfs/dbraw/zinc/69/57/96/452695796.db2.gz	YSIKFBDMPKHKGN-INIZCTEOSA-N	-1	3	345.361	3.098	50	30		EGEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccc(O)cc1	ZINC000012347436	453356091	/nfs/dbraw/zinc/35/60/91/453356091.db2.gz	XJAUHDDFCOIMSM-CYBMUJFWSA-N	-1	3	325.368	3.022	50	30		EGEAHM
CCOc1cc(/C=N/[O-])ccc1OCC(=O)Nc1cccc(C)c1	ZINC000013110565	257950829	/nfs/dbraw/zinc/95/08/29/257950829.db2.gz	AUEHBPSWHOFRPH-YBFXNURJSA-N	-1	3	328.368	3.219	50	30		EGEAHM
CC(=O)C1=C(C)Oc2nc(C)[n-]c(=O)c2[C@@H]1c1ccccc1Cl	ZINC000015082926	277932547	/nfs/dbraw/zinc/93/25/47/277932547.db2.gz	NKTCMUNZKWUXGS-CQSZACIVSA-N	-1	3	330.771	3.119	50	30		EGEAHM
COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccccc2F)c1	ZINC000000548646	452620316	/nfs/dbraw/zinc/62/03/16/452620316.db2.gz	FALARGXHXHDVOU-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccccc2F)c1	ZINC000000548646	452620327	/nfs/dbraw/zinc/62/03/27/452620327.db2.gz	FALARGXHXHDVOU-QGZVFWFLSA-N	-1	3	341.338	3.323	50	30		EGEAHM
CC(C)OC(=O)C(=O)CC(=Nc1ccccc1[O-])c1ccccc1	ZINC000100091180	219090898	/nfs/dbraw/zinc/09/08/98/219090898.db2.gz	GDOZYRKOHZNVMJ-VBKFSLOCSA-N	-1	3	325.364	3.366	50	30	biogenic	EGEAHM
O=c1[nH]c2c(-c3nc4ccccc4s3)c([O-])cn2c2ccccc12	ZINC000101157240	280265147	/nfs/dbraw/zinc/26/51/47/280265147.db2.gz	WFVCDCIFZOAVKF-UHFFFAOYSA-N	-1	3	333.372	3.372	50	30		EGEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000102623794	454511640	/nfs/dbraw/zinc/51/16/40/454511640.db2.gz	PYHMPACXQITRJK-AAGJOFLKSA-N	-1	3	329.302	3.454	50	30		EGEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000102623794	454511642	/nfs/dbraw/zinc/51/16/42/454511642.db2.gz	PYHMPACXQITRJK-AAGJOFLKSA-N	-1	3	329.302	3.454	50	30		EGEAHM
N#CC=C([O-])c1ccc(I)c(C(F)(F)F)c1	ZINC000098211547	219087515	/nfs/dbraw/zinc/08/75/15/219087515.db2.gz	JTDKBFCMLPRBHH-UHFFFAOYSA-N	-1	3	339.054	3.406	50	30		EGEAHM
CCSc1ncc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)cn1	ZINC000067867060	215234546	/nfs/dbraw/zinc/23/45/46/215234546.db2.gz	DWUFPZSHLREAOV-UHFFFAOYSA-N	-1	3	349.419	3.477	50	30		EGEAHM
CCn1nc(C)c(-c2cc(-c3ccc([O-])cc3)c(C#N)c(N)n2)c1C	ZINC000071771533	454217006	/nfs/dbraw/zinc/21/70/06/454217006.db2.gz	XESYASOHSIGXPL-UHFFFAOYSA-N	-1	3	333.395	3.408	50	30		EGEAHM
COc1cc(/C=N/[O-])ccc1OCC(=O)Nc1c(C)cc(C)cc1C	ZINC000003272917	521999313	/nfs/dbraw/zinc/99/93/13/521999313.db2.gz	YNRQMMJCNDHBTJ-KEBDBYFISA-N	-1	3	342.395	3.446	50	30		EGEAHM