smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3[O-])sc1CC2	ZINC000013126739	201886584	/nfs/dbraw/zinc/88/65/84/201886584.db2.gz	IKIQEDZACVLUJI-RGVLZGJSSA-N	-1	3	336.416	4.374	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NNc1ccc2ccccc2n1	ZINC000033162131	202251582	/nfs/dbraw/zinc/25/15/82/202251582.db2.gz	IDPOFDYEBLHNSH-ZDLGFXPLSA-N	-1	3	342.196	4.149	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)cc1)O2	ZINC000020624352	201369895	/nfs/dbraw/zinc/36/98/95/201369895.db2.gz	AKRQFJOAPRSHKS-UNOMPAQXSA-N	-1	3	337.419	4.159	50	30		EIEAHM
CCc1cc(C#N)c([N-]C(=O)c2sccc2Br)s1	ZINC000126822422	205073516	/nfs/dbraw/zinc/07/35/16/205073516.db2.gz	JVCDWALHRNDNFX-UHFFFAOYSA-N	-1	3	341.255	4.258	50	30		EIEAHM
Cc1ccc(OCc2nnc([N-]C(=O)c3cccs3)s2)cc1	ZINC000008742481	525449506	/nfs/dbraw/zinc/44/95/06/525449506.db2.gz	PVMZRAOOWNTRGN-UHFFFAOYSA-N	-1	3	331.422	4.123	50	30		EIEAHM
COc1ccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1[O-]	ZINC000000095981	563224242	/nfs/dbraw/zinc/22/42/42/563224242.db2.gz	PYNXQVIUWSOZLT-HYARGMPZSA-N	-1	3	331.371	4.382	50	30		EIEAHM
CCc1sc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1C	ZINC000103504481	564022583	/nfs/dbraw/zinc/02/25/83/564022583.db2.gz	OVUIZVQTODAVLN-LLVKDONJSA-N	-1	3	346.839	4.234	50	30		EIEAHM
[O-]c1ccccc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl	ZINC000000547776	564022799	/nfs/dbraw/zinc/02/27/99/564022799.db2.gz	OHEIELBOQISXOT-CAOOACKPSA-N	-1	3	340.235	4.020	50	30		EIEAHM
Cc1ccc2c(CC(=O)Nc3nnc(-c4ccccn4)[n-]3)coc2c1C	ZINC000047343209	564026132	/nfs/dbraw/zinc/02/61/32/564026132.db2.gz	CCVVAIYCDITRLY-UHFFFAOYSA-N	-1	3	347.378	4.060	50	30		EIEAHM
Cc1ccc2c(CC(=O)Nc3nc(-c4ccccn4)n[n-]3)coc2c1C	ZINC000047343209	564026133	/nfs/dbraw/zinc/02/61/33/564026133.db2.gz	CCVVAIYCDITRLY-UHFFFAOYSA-N	-1	3	347.378	4.060	50	30		EIEAHM
Cc1ccc2c(CC(=O)Nc3n[n-]c(-c4ccccn4)n3)coc2c1C	ZINC000047343209	564026134	/nfs/dbraw/zinc/02/61/34/564026134.db2.gz	CCVVAIYCDITRLY-UHFFFAOYSA-N	-1	3	347.378	4.060	50	30		EIEAHM
COc1cccc2cc(/C(=N/[O-])c3ccc(Br)cc3)oc21	ZINC000015986926	564078956	/nfs/dbraw/zinc/07/89/56/564078956.db2.gz	NVJQJRGPUWCRPP-OBGWFSINSA-N	-1	3	346.180	4.431	50	30		EIEAHM
C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)cccc1F	ZINC000065453211	564106046	/nfs/dbraw/zinc/10/60/46/564106046.db2.gz	XKDDMZVKMDWUPG-LLVKDONJSA-N	-1	3	332.375	4.469	50	30		EIEAHM
CC(=O)Nc1cc(Cl)c(N=Cc2ccc(O)cc2[O-])cc1Cl	ZINC000252621558	564122842	/nfs/dbraw/zinc/12/28/42/564122842.db2.gz	NBIAVKTYKGNWND-UHFFFAOYSA-N	-1	3	339.178	4.114	50	30		EIEAHM
Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2N=Cc1cccc([O-])c1	ZINC000390826981	564138503	/nfs/dbraw/zinc/13/85/03/564138503.db2.gz	RSGYNCGJRINNBD-UHFFFAOYSA-N	-1	3	343.386	4.472	50	30		EIEAHM
CC(=O)c1ccc(C(=O)[N-]c2ccccc2SCCC#N)s1	ZINC000095953497	564142399	/nfs/dbraw/zinc/14/23/99/564142399.db2.gz	NDIKFEVJHRVNNG-UHFFFAOYSA-N	-1	3	330.434	4.209	50	30		EIEAHM
CCOc1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000066516717	564162697	/nfs/dbraw/zinc/16/26/97/564162697.db2.gz	OLZVIHAMNGEJIJ-YHVDPYDOSA-N	-1	3	332.359	4.116	50	30		EIEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C)C2=O)c2cc(OC)ccc21	ZINC000008764920	564167349	/nfs/dbraw/zinc/16/73/49/564167349.db2.gz	UDDOICKRMDJBMR-DJKKODMXSA-N	-1	3	349.386	4.300	50	30	biogenic	EIEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1)O2	ZINC000020519156	202048026	/nfs/dbraw/zinc/04/80/26/202048026.db2.gz	OFCUJQYSGAHXMF-UYRXBGFRSA-N	-1	3	337.419	4.240	50	30		EIEAHM
[O-]c1ccc(/C=N/n2c(-c3ccccc3)nnc2-c2ccccc2)cc1	ZINC000022016202	202077801	/nfs/dbraw/zinc/07/78/01/202077801.db2.gz	XIEBNXSDCFPNCN-PXLXIMEGSA-N	-1	3	340.386	4.200	50	30		EIEAHM
Cc1nn(CC(C)C)c(Cl)c1/C=C1\Cc2c(cccc2[O-])C1=O	ZINC000011549148	201057058	/nfs/dbraw/zinc/05/70/58/201057058.db2.gz	NTHJPJCHSQGFDD-KPKJPENVSA-N	-1	3	330.815	4.029	50	30		EIEAHM
C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1[O-]	ZINC000013120051	211524754	/nfs/dbraw/zinc/52/47/54/211524754.db2.gz	WQBPTKNUZRHSMH-UHFFFAOYSA-N	-1	3	348.431	4.001	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)cc(Cl)c1[O-]	ZINC000013018142	207273930	/nfs/dbraw/zinc/27/39/30/207273930.db2.gz	ZXLNZGKMQQBQGV-FNORWQNLSA-N	-1	3	332.783	4.267	50	30		EIEAHM
C/C(CSC(=O)c1c(C)onc1-c1c(F)cccc1Cl)=N\[O-]	ZINC000001026150	518475724	/nfs/dbraw/zinc/47/57/24/518475724.db2.gz	WSYLZFNPYZBYMM-REZTVBANSA-N	-1	3	342.779	4.166	50	30		EIEAHM
CCOC(=O)c1c(/N=C/c2ccccc2[O-])sc2c1CCCC2	ZINC000000241397	563265405	/nfs/dbraw/zinc/26/54/05/563265405.db2.gz	LXHXNQDRGGBIBQ-YBFXNURJSA-N	-1	3	329.421	4.260	50	30		EIEAHM
Cc1nn(CC(C)C)c(Cl)c1/C=C1/Cc2c(cccc2[O-])C1=O	ZINC000071887447	563389605	/nfs/dbraw/zinc/38/96/05/563389605.db2.gz	NTHJPJCHSQGFDD-GHXNOFRVSA-N	-1	3	330.815	4.029	50	30		EIEAHM
N#CCCSc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000069971594	563892563	/nfs/dbraw/zinc/89/25/63/563892563.db2.gz	BDRDWJOCNVKAEP-SDNWHVSQSA-N	-1	3	344.461	4.105	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2cnc(-c3ccoc3)s2)sc2c1CCC2	ZINC000072292159	563909476	/nfs/dbraw/zinc/90/94/76/563909476.db2.gz	MGNRSKDINAZLFN-UHFFFAOYSA-N	-1	3	341.417	4.077	50	30		EIEAHM
[O-]c1ccc2ccccc2c1C=NNc1ccc(C(F)(F)F)cn1	ZINC000004703511	563965876	/nfs/dbraw/zinc/96/58/76/563965876.db2.gz	ZFLBEGYTGOVTEM-LSHDLFTRSA-N	-1	3	331.297	4.405	50	30		EIEAHM
[O-]c1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1	ZINC000000221430	563988850	/nfs/dbraw/zinc/98/88/50/563988850.db2.gz	ZFVWPDMDQKTNOG-ZVBGSRNCSA-N	-1	3	327.277	4.422	50	30		EIEAHM
COc1ccccc1-n1cnc2cc(/N=C/c3ccccc3[O-])ccc21	ZINC000000255312	563989535	/nfs/dbraw/zinc/98/95/35/563989535.db2.gz	KITODRFLYHKQCS-LPYMAVHISA-N	-1	3	343.386	4.490	50	30		EIEAHM
Cc1cc2c(c([O-])c1)C(=O)/C(=C/c1ccccc1Br)O2	ZINC000011865198	563995205	/nfs/dbraw/zinc/99/52/05/563995205.db2.gz	HIXMATBMIGWVIO-ZSOIEALJSA-N	-1	3	331.165	4.079	50	30		EIEAHM
[O-]c1ccc2ccccc2c1C=Nc1ccc(Br)cn1	ZINC000252625948	564123285	/nfs/dbraw/zinc/12/32/85/564123285.db2.gz	QSRNWHCSRKOTIV-UHFFFAOYSA-N	-1	3	327.181	4.454	50	30		EIEAHM
CCO[C@@H](C)c1nc(C(=O)[N-]c2sc(C)c(CC)c2C#N)cs1	ZINC000095960738	564142756	/nfs/dbraw/zinc/14/27/56/564142756.db2.gz	ZOJWAZOJADWTIF-VIFPVBQESA-N	-1	3	349.481	4.297	50	30		EIEAHM
Cc1ncc(CO)c(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1[O-]	ZINC000067240534	564165389	/nfs/dbraw/zinc/16/53/89/564165389.db2.gz	ACIMJCJQPPFHJY-AERZKKPOSA-N	-1	3	344.720	4.011	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2cc(-c3cccs3)on2)c1C#N	ZINC000002497897	209858134	/nfs/dbraw/zinc/85/81/34/209858134.db2.gz	JTRIRMMFLALMBJ-UHFFFAOYSA-N	-1	3	343.433	4.459	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2ccccc2Br)ccc1[O-]	ZINC000033474378	202262729	/nfs/dbraw/zinc/26/27/29/202262729.db2.gz	KKMAEEWSSPZVKN-VURMDHGXSA-N	-1	3	333.181	4.059	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000011336077	211211943	/nfs/dbraw/zinc/21/19/43/211211943.db2.gz	YOKQAGKRJWHJKV-RAXLEYEMSA-N	-1	3	347.326	4.383	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2cc(Br)cs2)ccc1[O-]	ZINC000006490556	522051292	/nfs/dbraw/zinc/05/12/92/522051292.db2.gz	AWAXZORGCSUEGD-HYXAFXHYSA-N	-1	3	339.210	4.121	50	30		EIEAHM
N#CCCSc1ccccc1[N-]C(=O)c1noc2c1CCCCC2	ZINC000153123690	564006604	/nfs/dbraw/zinc/00/66/04/564006604.db2.gz	YUIODKNBKZFBBM-UHFFFAOYSA-N	-1	3	341.436	4.202	50	30		EIEAHM
CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1[O-]	ZINC000008477796	564016228	/nfs/dbraw/zinc/01/62/28/564016228.db2.gz	CWJHACNHOHNTBH-RUDMXATFSA-N	-1	3	332.783	4.349	50	30		EIEAHM
COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1F	ZINC000007336148	564034332	/nfs/dbraw/zinc/03/43/32/564034332.db2.gz	ARFKAMRUTWKRDH-HWKANZROSA-N	-1	3	336.746	4.098	50	30		EIEAHM
N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccsc1	ZINC000130462413	564093398	/nfs/dbraw/zinc/09/33/98/564093398.db2.gz	IOKCPDJETRBWPB-GFCCVEGCSA-N	-1	3	339.203	4.016	50	30		EIEAHM
Cc1ccc(NC(=S)NN=Cc2c([O-])ccc3ccccc32)cc1	ZINC000252463054	564118792	/nfs/dbraw/zinc/11/87/92/564118792.db2.gz	YLYDDJUPJXGJTP-UHFFFAOYSA-N	-1	3	335.432	4.174	50	30		EIEAHM
CCC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(C)on3)sc2C1	ZINC000013327325	564136233	/nfs/dbraw/zinc/13/62/33/564136233.db2.gz	HVFPBGYSRJLTRY-LLVKDONJSA-N	-1	3	329.425	4.074	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C#N	ZINC000002750617	564152434	/nfs/dbraw/zinc/15/24/34/564152434.db2.gz	GIHXEYACYGADDO-UHFFFAOYSA-N	-1	3	349.799	4.305	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/C=C/c1ccccc1)O2	ZINC000013539726	568415218	/nfs/dbraw/zinc/41/52/18/568415218.db2.gz	BFUAMCBINYQIFH-HGZPKWKRSA-N	-1	3	349.430	4.406	50	30		EIEAHM
COc1ccc(C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000101388655	219124774	/nfs/dbraw/zinc/12/47/74/219124774.db2.gz	SELKKFNQPHGUOZ-POHAHGRESA-N	-1	3	346.198	4.153	50	30		EIEAHM
COc1ccc(C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000101388655	219124776	/nfs/dbraw/zinc/12/47/76/219124776.db2.gz	SELKKFNQPHGUOZ-POHAHGRESA-N	-1	3	346.198	4.153	50	30		EIEAHM
CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc([O-])c(OC)c1	ZINC000019520998	202009603	/nfs/dbraw/zinc/00/96/03/202009603.db2.gz	ZUTIDFXFQVSBOU-UHFFFAOYSA-N	-1	3	345.402	4.146	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1cc(Cl)c2c(c1)OCCCO2	ZINC000011549160	201057798	/nfs/dbraw/zinc/05/77/98/201057798.db2.gz	IQDDWYZDOXLJPW-GHXNOFRVSA-N	-1	3	342.778	4.029	50	30		EIEAHM
N#CC(=C([O-])c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1	ZINC000000086645	563220798	/nfs/dbraw/zinc/22/07/98/563220798.db2.gz	FPFJTOZAZJMXNZ-LLVKDONJSA-N	-1	3	330.174	4.360	50	30		EIEAHM
[O-]/N=C(\Nc1cccc(C(F)(F)F)c1)c1cnccc1C(F)(F)F	ZINC000004695455	563508095	/nfs/dbraw/zinc/50/80/95/563508095.db2.gz	MFBSOLKAVLQOJX-UHFFFAOYSA-N	-1	3	349.234	4.367	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccc(F)cc1F	ZINC000044835646	563926722	/nfs/dbraw/zinc/92/67/22/563926722.db2.gz	JYXVRZOGPUCQBY-QGMBQPNBSA-N	-1	3	326.140	4.052	50	30		EIEAHM
COc1ccc(Sc2c(/C=N/[O-])c(-c3ccccc3)nn2C)cc1	ZINC000100332428	563992214	/nfs/dbraw/zinc/99/22/14/563992214.db2.gz	WMVJZDRKASJWHA-XDHOZWIPSA-N	-1	3	339.420	4.055	50	30		EIEAHM
O=c1cc(C(F)(F)F)c2ccc(N=Cc3ccccc3[O-])cc2o1	ZINC000252618081	563997962	/nfs/dbraw/zinc/99/79/62/563997962.db2.gz	LDLCEBCEYWLLCV-UHFFFAOYSA-N	-1	3	333.265	4.268	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=Nc1n[nH]cc1-c1ccccc1	ZINC000252485522	564119329	/nfs/dbraw/zinc/11/93/29/564119329.db2.gz	GXOYOLVTCNJBMB-GIJQJNRQSA-N	-1	3	342.196	4.295	50	30		EIEAHM
Cc1[nH]nc(N=Cc2ccc(O)cc2[O-])c1-c1ccc(Cl)cc1	ZINC000252625958	564123280	/nfs/dbraw/zinc/12/32/80/564123280.db2.gz	QSYJWOOVPKKAAR-UHFFFAOYSA-N	-1	3	327.771	4.200	50	30		EIEAHM
CCOc1cc(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)ccc1[O-]	ZINC000067879220	564134969	/nfs/dbraw/zinc/13/49/69/564134969.db2.gz	GJPYOQPYRUCLQW-UHFFFAOYSA-N	-1	3	349.365	4.113	50	30		EIEAHM
Cc1cc([O-])c(/C=N/c2ccc(N3CCOCC3)cc2)c(C)c1Cl	ZINC000013120282	564136038	/nfs/dbraw/zinc/13/60/38/564136038.db2.gz	NZCADTRKHKBBBL-CIAFOILYSA-N	-1	3	344.842	4.250	50	30		EIEAHM
CCC[C@H]1CCc2c(C#N)c([N-]C(=O)c3c(C)noc3C)sc2C1	ZINC000020581937	202050529	/nfs/dbraw/zinc/05/05/29/202050529.db2.gz	AUXQPFYDGQZIOG-LBPRGKRZSA-N	-1	3	343.452	4.382	50	30		EIEAHM
COc1cc(C(=O)/C=C/c2ccc(Br)cc2)ccc1[O-]	ZINC000005156302	205754284	/nfs/dbraw/zinc/75/42/84/205754284.db2.gz	TXCDZPDGDMZUOT-XBXARRHUSA-N	-1	3	333.181	4.059	50	30		EIEAHM
C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000013451595	563698427	/nfs/dbraw/zinc/69/84/27/563698427.db2.gz	RWNPHXLIAIBUGH-LCQOSFJGSA-N	-1	3	334.419	4.297	50	30		EIEAHM
C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1[O-]	ZINC000013124703	564073753	/nfs/dbraw/zinc/07/37/53/564073753.db2.gz	CRWIXPSUBHQPRT-UHFFFAOYSA-N	-1	3	348.431	4.001	50	30		EIEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cccc3F)sc2C1	ZINC000000484210	564133304	/nfs/dbraw/zinc/13/33/04/564133304.db2.gz	HVQZFCRCKCXUHD-VIFPVBQESA-N	-1	3	332.375	4.275	50	30		EIEAHM
O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc([O-])c2ccccc2c1	ZINC000328594298	564136820	/nfs/dbraw/zinc/13/68/20/564136820.db2.gz	VMVLSTVQGCVHIZ-INIZCTEOSA-N	-1	3	349.386	4.349	50	30		EIEAHM
CCCCCc1sc([N-][NH+]=Cc2ccc(C(C)C)cc2)nc1[O-]	ZINC000003079902	564155016	/nfs/dbraw/zinc/15/50/16/564155016.db2.gz	IXAOFSQUORFHHG-QUYZQLMHSA-N	-1	3	331.485	4.312	50	30		EIEAHM
CCCCCc1sc(NN=Cc2ccc(C(C)C)cc2)nc1[O-]	ZINC000003079902	564155017	/nfs/dbraw/zinc/15/50/17/564155017.db2.gz	IXAOFSQUORFHHG-QUYZQLMHSA-N	-1	3	331.485	4.312	50	30		EIEAHM
CCC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3c(C)noc3C)sc2C1	ZINC000020581933	202049727	/nfs/dbraw/zinc/04/97/27/202049727.db2.gz	AUXQPFYDGQZIOG-GFCCVEGCSA-N	-1	3	343.452	4.382	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccc(C)cc1)O2	ZINC000036065975	202312564	/nfs/dbraw/zinc/31/25/64/202312564.db2.gz	AKRQFJOAPRSHKS-XDHOZWIPSA-N	-1	3	337.419	4.159	50	30		EIEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000000548112	564022743	/nfs/dbraw/zinc/02/27/43/564022743.db2.gz	RMFBDGDNDXDJJH-QGZVFWFLSA-N	-1	3	341.794	4.137	50	30		EIEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000000548112	564022744	/nfs/dbraw/zinc/02/27/44/564022744.db2.gz	RMFBDGDNDXDJJH-QGZVFWFLSA-N	-1	3	341.794	4.137	50	30		EIEAHM
C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1[O-]	ZINC000003000707	564044016	/nfs/dbraw/zinc/04/40/16/564044016.db2.gz	XMXXEPHXYOCAOK-UHFFFAOYSA-N	-1	3	341.411	4.268	50	30		EIEAHM
[O-]c1ccc(Cl)cc1-c1cnc(N=NCc2ccc(O)cc2)s1	ZINC000261491585	564056134	/nfs/dbraw/zinc/05/61/34/564056134.db2.gz	JMCJTFVNPVSPAT-UFWORHAWSA-N	-1	3	345.811	4.321	50	30		EIEAHM
O=C(C=N[N-]c1ncc(C(F)(F)F)cc1Cl)c1ccccc1	ZINC000001400641	564064970	/nfs/dbraw/zinc/06/49/70/564064970.db2.gz	QDPILFYZARZZMM-DNTJNYDQSA-N	-1	3	327.693	4.034	50	30		EIEAHM
[O-]C(=CN=Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	ZINC000001400641	564064971	/nfs/dbraw/zinc/06/49/71/564064971.db2.gz	QDPILFYZARZZMM-DNTJNYDQSA-N	-1	3	327.693	4.034	50	30		EIEAHM
CCN(CC)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2C)c([O-])c1	ZINC000252460094	564118639	/nfs/dbraw/zinc/11/86/39/564118639.db2.gz	BNZUOUBLHCHDIS-UHFFFAOYSA-N	-1	3	327.384	4.206	50	30		EIEAHM
Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2/N=C/c1cccc([O-])c1	ZINC000035616540	564129175	/nfs/dbraw/zinc/12/91/75/564129175.db2.gz	RSGYNCGJRINNBD-LPYMAVHISA-N	-1	3	343.386	4.472	50	30		EIEAHM
CCC[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(C)on3)sc2C1	ZINC000013327327	564136224	/nfs/dbraw/zinc/13/62/24/564136224.db2.gz	HVFPBGYSRJLTRY-NSHDSACASA-N	-1	3	329.425	4.074	50	30		EIEAHM
O=C1C=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[O-])CCC1	ZINC000080325302	564139261	/nfs/dbraw/zinc/13/92/61/564139261.db2.gz	DKCBQCWNDPKETA-HXUWFJFHSA-N	-1	3	332.403	4.180	50	30		EIEAHM
CCO[C@H](C)c1nc(C(=O)[N-]c2sc(C)c(CC)c2C#N)cs1	ZINC000095960737	564142746	/nfs/dbraw/zinc/14/27/46/564142746.db2.gz	ZOJWAZOJADWTIF-SECBINFHSA-N	-1	3	349.481	4.297	50	30		EIEAHM
CCOc1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000066516715	564162689	/nfs/dbraw/zinc/16/26/89/564162689.db2.gz	OLZVIHAMNGEJIJ-ONOODXEBSA-N	-1	3	332.359	4.116	50	30		EIEAHM
Cc1ccc(C)c(C([O-])=Cc2nc3ccc(Cl)cc3[nH]c2=O)c1	ZINC000670416576	568423127	/nfs/dbraw/zinc/42/31/27/568423127.db2.gz	ZUELQPAFEDRROY-SXGWCWSVSA-N	-1	3	326.783	4.088	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2ccccc2OC(F)(F)F)ccc1[O-]	ZINC000096930380	1039829252	/nfs/dbraw/zinc/82/92/52/1039829252.db2.gz	RHUHNWWYIHHFMN-VURMDHGXSA-N	-1	3	338.281	4.196	50	30		EIEAHM
Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc([O-])cc1	ZINC000012406346	201844621	/nfs/dbraw/zinc/84/46/21/201844621.db2.gz	BWMZYJIGHXDPMT-OFLRGPKASA-N	-1	3	334.419	4.454	50	30		EIEAHM
Cc1cc(I)ccc1/N=C/c1ccccc1[O-]	ZINC000020075824	202031391	/nfs/dbraw/zinc/03/13/91/202031391.db2.gz	KBUZPHQWKJHXPQ-CXUHLZMHSA-N	-1	3	337.160	4.056	50	30		EIEAHM
CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(Cl)c1[O-]	ZINC000033476395	202262632	/nfs/dbraw/zinc/26/26/32/202262632.db2.gz	SGGCIQXFCVFKIW-YVMONPNESA-N	-1	3	327.767	4.212	50	30		EIEAHM
Cc1c(/N=C/c2cc(Br)ccc2[O-])cccc1[N+](=O)[O-]	ZINC000000045819	201426623	/nfs/dbraw/zinc/42/66/23/201426623.db2.gz	VRZLOCZDOZDWJY-LZYBPNLTSA-N	-1	3	335.157	4.122	50	30		EIEAHM
Cc1sc([N-]C(=O)c2cnc(-c3ccco3)s2)c(C#N)c1C	ZINC000071799818	203115513	/nfs/dbraw/zinc/11/55/13/203115513.db2.gz	MKFBBGXGOYAATH-UHFFFAOYSA-N	-1	3	329.406	4.205	50	30		EIEAHM
CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)cc(Cl)c1[O-]	ZINC000033476410	520637901	/nfs/dbraw/zinc/63/79/01/520637901.db2.gz	YYBQPRRZDBEOSN-FPLPWBNLSA-N	-1	3	332.783	4.349	50	30		EIEAHM
Cc1ccc(NC(=S)N/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000000046268	563213244	/nfs/dbraw/zinc/21/32/44/563213244.db2.gz	YLYDDJUPJXGJTP-UDWIEESQSA-N	-1	3	335.432	4.174	50	30		EIEAHM
COc1ccc(/N=C/c2ccc(OC)c3cccc([O-])c23)cc1OC	ZINC000000499520	564018463	/nfs/dbraw/zinc/01/84/63/564018463.db2.gz	RXXUTJPKKHTTDB-CIAFOILYSA-N	-1	3	337.375	4.322	50	30		EIEAHM
COc1cc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)ccc1[O-]	ZINC000000521575	564021058	/nfs/dbraw/zinc/02/10/58/564021058.db2.gz	JTFUEEDXOQFJKG-UHFFFAOYSA-N	-1	3	341.370	4.060	50	30		EIEAHM
Cc1cc(-c2ccccc2)nc(N=NCc2cc(Cl)ccc2[O-])n1	ZINC000252642525	564124727	/nfs/dbraw/zinc/12/47/27/564124727.db2.gz	ZMXUDXBPYHFUPN-UHFFFAOYSA-N	-1	3	338.798	4.257	50	30		EIEAHM
N#CC(=C([O-])c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1	ZINC000124419257	564138070	/nfs/dbraw/zinc/13/80/70/564138070.db2.gz	GBUNPHYTWOELKF-QGZVFWFLSA-N	-1	3	338.370	4.115	50	30		EIEAHM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1F	ZINC000041557878	564174078	/nfs/dbraw/zinc/17/40/78/564174078.db2.gz	XBJFGALKPRPLQF-GFCCVEGCSA-N	-1	3	343.308	4.369	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2ccncc2F)sc2c1-c1ccccc1CC2	ZINC000078087051	564176910	/nfs/dbraw/zinc/17/69/10/564176910.db2.gz	JVDRJBCLMUXFPD-UHFFFAOYSA-N	-1	3	349.390	4.172	50	30		EIEAHM
CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2)cc(Cl)c1[O-]	ZINC000033476405	1047340977	/nfs/dbraw/zinc/34/09/77/1047340977.db2.gz	CWJHACNHOHNTBH-WTKPLQERSA-N	-1	3	332.783	4.349	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000098002293	219067553	/nfs/dbraw/zinc/06/75/53/219067553.db2.gz	YOKQAGKRJWHJKV-JLHYYAGUSA-N	-1	3	347.326	4.383	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1sccc1C)O2	ZINC000020518273	202047597	/nfs/dbraw/zinc/04/75/97/202047597.db2.gz	ONWSLHNYRNWKRD-YBEGLDIGSA-N	-1	3	343.448	4.220	50	30		EIEAHM
N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1ccc([O-])c2ccccc21	ZINC000071761128	203109491	/nfs/dbraw/zinc/10/94/91/203109491.db2.gz	CVOOGYQQSCIYTN-UHFFFAOYSA-N	-1	3	326.359	4.056	50	30		EIEAHM
Cc1ncsc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N	ZINC000077687655	203398106	/nfs/dbraw/zinc/39/81/06/203398106.db2.gz	KOMNTVSELBIUQW-UHFFFAOYSA-N	-1	3	325.418	4.304	50	30		EIEAHM
[O-]c1ccc(/C=N/c2nc3ccc(Br)cc3s2)c(O)c1	ZINC000100828383	206258449	/nfs/dbraw/zinc/25/84/49/206258449.db2.gz	SHPOBVYOJURXNK-FRKPEAEDSA-N	-1	3	349.209	4.221	50	30		EIEAHM
[O-]c1cc(O)ccc1/C=N/c1nc2ccc(Br)cc2s1	ZINC000100828383	206258453	/nfs/dbraw/zinc/25/84/53/206258453.db2.gz	SHPOBVYOJURXNK-FRKPEAEDSA-N	-1	3	349.209	4.221	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000004413162	563690978	/nfs/dbraw/zinc/69/09/78/563690978.db2.gz	OCVIGUACSOHJHP-LZYBPNLTSA-N	-1	3	348.225	4.210	50	30		EIEAHM
Cc1cc2c(c([O-])c1)C(=O)/C(=C/c1cccc(Br)c1)O2	ZINC000011865199	563995199	/nfs/dbraw/zinc/99/51/99/563995199.db2.gz	HVWCPKCRSDLMMU-ZSOIEALJSA-N	-1	3	331.165	4.079	50	30	biogenic	EIEAHM
CCc1c(C)sc([N-]C(=O)c2ccc(Br)o2)c1C#N	ZINC000004423222	563697112	/nfs/dbraw/zinc/69/71/12/563697112.db2.gz	KVTZQVIEYDRISZ-UHFFFAOYSA-N	-1	3	339.214	4.098	50	30		EIEAHM
O=c1[nH]c2ccccc2nc1C=C([O-])c1cccc(Br)c1	ZINC000015685688	563790651	/nfs/dbraw/zinc/79/06/51/563790651.db2.gz	YMXBYGHSGKVSQP-NTEUORMPSA-N	-1	3	343.180	4.229	50	30		EIEAHM
Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)c(C)c1	ZINC000058265636	563941156	/nfs/dbraw/zinc/94/11/56/563941156.db2.gz	NQEWATZBHIWMEP-HNNXBMFYSA-N	-1	3	333.416	4.312	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N	ZINC000000258904	563989625	/nfs/dbraw/zinc/98/96/25/563989625.db2.gz	BHQUAZKGHPKCAK-UHFFFAOYSA-N	-1	3	349.799	4.305	50	30		EIEAHM
C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/[O-]	ZINC000100620567	563994296	/nfs/dbraw/zinc/99/42/96/563994296.db2.gz	RWNPHXLIAIBUGH-GRXMPZQUSA-N	-1	3	334.419	4.297	50	30		EIEAHM
COc1cc2nc(/N=C/c3cc(Cl)ccc3[O-])sc2cc1OC	ZINC000005670222	564093305	/nfs/dbraw/zinc/09/33/05/564093305.db2.gz	RWGKBRVHSYVKDO-QGMBQPNBSA-N	-1	3	348.811	4.423	50	30		EIEAHM
Cc1nc2cc(N=Cc3cc(Br)ccc3[O-])ccc2n1C	ZINC000252630066	564123521	/nfs/dbraw/zinc/12/35/21/564123521.db2.gz	UTUZGWBLZCQJDF-UHFFFAOYSA-N	-1	3	344.212	4.100	50	30		EIEAHM
C=CCN(CC=C)Cc1c(C)[n-]c2c(OC)ccc(Cl)c2c1=O	ZINC000008717390	564166836	/nfs/dbraw/zinc/16/68/36/564166836.db2.gz	KFXYFCJJZPFELM-UHFFFAOYSA-N	-1	3	332.831	4.085	50	30		EIEAHM
CCOc1ccccc1C/N=C/c1cc(Br)ccc1[O-]	ZINC000044835634	213649259	/nfs/dbraw/zinc/64/92/59/213649259.db2.gz	BMCWPKKQWXEVJE-WOJGMQOQSA-N	-1	3	334.213	4.173	50	30		EIEAHM
CC(N=Nc1nnc([N-]c2ccccc2Cl)s1)c1ccccn1	ZINC000004105286	518455334	/nfs/dbraw/zinc/45/53/34/518455334.db2.gz	LFQYVEKIPOWWHT-GRSHGNNSSA-N	-1	3	344.831	4.166	50	30		EIEAHM
CCN(CC)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)c([O-])c1	ZINC000005023152	520882159	/nfs/dbraw/zinc/88/21/59/520882159.db2.gz	RLPZKFKJEPTCLX-XDHOZWIPSA-N	-1	3	340.452	4.294	50	30		EIEAHM
Cc1ccc([O-])c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000000226268	563988896	/nfs/dbraw/zinc/98/88/96/563988896.db2.gz	ZKHLMIIOKBROHC-LZYBPNLTSA-N	-1	3	335.157	4.122	50	30		EIEAHM
O=C(/C=C/c1ccc(OCc2cccnc2)cc1)c1cccc([O-])c1	ZINC000045111553	564028164	/nfs/dbraw/zinc/02/81/64/564028164.db2.gz	FABCFFBKBTTYMH-DHZHZOJOSA-N	-1	3	331.371	4.262	50	30		EIEAHM
CSCc1c2ccccc2oc1C(=O)[N-]c1sccc1C#N	ZINC000014626423	564112564	/nfs/dbraw/zinc/11/25/64/564112564.db2.gz	FIBYIIYLUCMPHO-UHFFFAOYSA-N	-1	3	328.418	4.481	50	30		EIEAHM
N#Cc1c2c(sc1[N-]C(=O)c1noc3c1CCCCC3)CCCC2	ZINC000000426585	564133206	/nfs/dbraw/zinc/13/32/06/564133206.db2.gz	VEJLTBBXUVIHEE-UHFFFAOYSA-N	-1	3	341.436	4.008	50	30		EIEAHM
Cc1cc(C(=O)[N-]c2scc(-c3cc(C)ccc3C)c2C#N)no1	ZINC000013328638	564136241	/nfs/dbraw/zinc/13/62/41/564136241.db2.gz	HAMOUHAQMATSOT-UHFFFAOYSA-N	-1	3	337.404	4.452	50	30		EIEAHM
O=C(/C=C\c1ccc(OCc2cccnc2)cc1)c1cccc([O-])c1	ZINC000096297804	564146617	/nfs/dbraw/zinc/14/66/17/564146617.db2.gz	FABCFFBKBTTYMH-FLIBITNWSA-N	-1	3	331.371	4.262	50	30		EIEAHM
COc1cc(OC)c(/N=C/c2cc(Cl)ccc2[O-])cc1Cl	ZINC000100037420	219089327	/nfs/dbraw/zinc/08/93/27/219089327.db2.gz	XNISEIWKUKATAV-QGMBQPNBSA-N	-1	3	326.179	4.467	50	30		EIEAHM
Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931488	219111824	/nfs/dbraw/zinc/11/18/24/219111824.db2.gz	ZZAAFEPVYKPANW-NHDPSOOVSA-N	-1	3	347.802	4.039	50	30		EIEAHM
Cc1sc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c1C	ZINC000004113258	210123344	/nfs/dbraw/zinc/12/33/44/210123344.db2.gz	QMLHURUQQRJTOR-UHFFFAOYSA-N	-1	3	335.772	4.051	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=Nc1cc(-c2ccccc2)[nH]n1	ZINC000004113162	210123212	/nfs/dbraw/zinc/12/32/12/210123212.db2.gz	VMUJKYVISKSCQG-VCHYOVAHSA-N	-1	3	342.196	4.295	50	30		EIEAHM
CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(Cl)ccc3[O-])[C@@H]2C)cc1	ZINC000040073252	213258312	/nfs/dbraw/zinc/25/83/12/213258312.db2.gz	AAZZUZYAKGYKGH-AHEVQNHNSA-N	-1	3	341.794	4.387	50	30		EIEAHM
CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)CC1	ZINC000022625709	212313575	/nfs/dbraw/zinc/31/35/75/212313575.db2.gz	YEEXJWSIMSUQAA-MOSHPQCFSA-N	-1	3	349.430	4.240	50	30	biogenic	EIEAHM
C[C@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)C1	ZINC000022625691	212313314	/nfs/dbraw/zinc/31/33/14/212313314.db2.gz	VUSYPEUNWOSRBV-DKNZLLBESA-N	-1	3	349.430	4.240	50	30	biogenic	EIEAHM
CC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000004900721	210315369	/nfs/dbraw/zinc/31/53/69/210315369.db2.gz	RMFBDGDNDXDJJH-KRWDZBQOSA-N	-1	3	341.794	4.137	50	30		EIEAHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000004900721	210315371	/nfs/dbraw/zinc/31/53/71/210315371.db2.gz	RMFBDGDNDXDJJH-KRWDZBQOSA-N	-1	3	341.794	4.137	50	30		EIEAHM
Cc1nn(Cc2ccccc2)c(C)c1/C=C1/Cc2c(cccc2[O-])C1=O	ZINC000071887443	563389628	/nfs/dbraw/zinc/38/96/28/563389628.db2.gz	LPWYWQAVNVPMKW-BOPFTXTBSA-N	-1	3	344.414	4.076	50	30		EIEAHM
O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc(Br)cc1	ZINC000017731095	563845504	/nfs/dbraw/zinc/84/55/04/563845504.db2.gz	ZKPCHDPKKSSUOC-NTEUORMPSA-N	-1	3	343.180	4.229	50	30		EIEAHM
Cc1cc(/N=C/c2c([O-])ccc3ccccc32)ccc1N1CCOCC1	ZINC000067321422	563962230	/nfs/dbraw/zinc/96/22/30/563962230.db2.gz	NXMAWQCNTTWNMT-HZHRSRAPSA-N	-1	3	346.430	4.441	50	30		EIEAHM
O=c1[n-]c(Cl)c(C=NN(Cc2ccccc2)c2ccccc2)s1	ZINC000238937243	564105769	/nfs/dbraw/zinc/10/57/69/564105769.db2.gz	UQPMFCXGMKBVPL-UHFFFAOYSA-N	-1	3	343.839	4.131	50	30		EIEAHM
Cc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)-c1ccccc1CC2	ZINC000071818299	564175636	/nfs/dbraw/zinc/17/56/36/564175636.db2.gz	FFIHZBZRQRENRZ-UHFFFAOYSA-N	-1	3	349.415	4.243	50	30		EIEAHM
O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1cccc([O-])c1	ZINC000032906658	258058997	/nfs/dbraw/zinc/05/89/97/258058997.db2.gz	BDJQGUVRVXPZRK-RMKNXTFCSA-N	-1	3	337.400	4.324	50	30		EIEAHM
[O-]/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	ZINC000005738723	563548094	/nfs/dbraw/zinc/54/80/94/563548094.db2.gz	LXLJFLXQUQNAHU-VCHYOVAHSA-N	-1	3	342.196	4.110	50	30		EIEAHM
COc1cc(/N=C\c2cc(Cl)ccc2[O-])c(OC)cc1Cl	ZINC000005291468	564002392	/nfs/dbraw/zinc/00/23/92/564002392.db2.gz	RCQOXPDGDOZNLS-LSCVHKIXSA-N	-1	3	326.179	4.467	50	30		EIEAHM
CCN(CC)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)c([O-])c1	ZINC000252462961	564118772	/nfs/dbraw/zinc/11/87/72/564118772.db2.gz	XTQZXKFOKDNAJV-UHFFFAOYSA-N	-1	3	331.347	4.036	50	30		EIEAHM
Cc1noc(C(C)C)c1C(=O)[N-]c1ccccc1SCCC#N	ZINC000095944778	564142123	/nfs/dbraw/zinc/14/21/23/564142123.db2.gz	DGRWTLRNNLNBEH-UHFFFAOYSA-N	-1	3	329.425	4.365	50	30		EIEAHM
CCCCCc1sc([N-][NH+]=Cc2ccc(C(C)C)cc2)nc1[O-]	ZINC000003079904	564155036	/nfs/dbraw/zinc/15/50/36/564155036.db2.gz	IXAOFSQUORFHHG-PUMYGXPMSA-N	-1	3	331.485	4.312	50	30		EIEAHM
CCCCCc1sc(NN=Cc2ccc(C(C)C)cc2)nc1[O-]	ZINC000003079904	564155037	/nfs/dbraw/zinc/15/50/37/564155037.db2.gz	IXAOFSQUORFHHG-PUMYGXPMSA-N	-1	3	331.485	4.312	50	30		EIEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000100341405	219096699	/nfs/dbraw/zinc/09/66/99/219096699.db2.gz	QAWUZCAQPFUKTP-PXLXIMEGSA-N	-1	3	332.403	4.133	50	30		EIEAHM
CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(Cl)ccc3[O-])[C@H]2C)cc1	ZINC000040073251	213258200	/nfs/dbraw/zinc/25/82/00/213258200.db2.gz	AAZZUZYAKGYKGH-ADVUTCEVSA-N	-1	3	341.794	4.387	50	30		EIEAHM
Cc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1[O-]	ZINC000000269445	563269298	/nfs/dbraw/zinc/26/92/98/563269298.db2.gz	UKTIVKFSZLXYMG-LZYBPNLTSA-N	-1	3	335.157	4.122	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cccc(C)c1)O2	ZINC000033542396	563916166	/nfs/dbraw/zinc/91/61/66/563916166.db2.gz	LQICTFYVTYLQAR-XDHOZWIPSA-N	-1	3	337.419	4.159	50	30		EIEAHM
CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2[O-])cc1	ZINC000072332968	563936274	/nfs/dbraw/zinc/93/62/74/563936274.db2.gz	HNHWZMNPBUHDCE-WEVVVXLNSA-N	-1	3	347.208	4.450	50	30		EIEAHM
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)ccc1[O-]	ZINC000000289326	563990219	/nfs/dbraw/zinc/99/02/19/563990219.db2.gz	AOIBVXLIRCSRKC-KKBVUKDESA-N	-1	3	326.421	4.209	50	30		EIEAHM
Cc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CCC4)no2)cc1	ZINC000000815115	564034655	/nfs/dbraw/zinc/03/46/55/564034655.db2.gz	OGQZSSQLLNOTCG-UHFFFAOYSA-N	-1	3	349.415	4.324	50	30		EIEAHM
C/C(=N\N1C(=O)c2ccccc2NC12CCCCC2)c1ccccc1[O-]	ZINC000015837359	564076513	/nfs/dbraw/zinc/07/65/13/564076513.db2.gz	REBLISQVSOKIPI-HZHRSRAPSA-N	-1	3	349.434	4.345	50	30		EIEAHM
Cc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2	ZINC000016604546	564090606	/nfs/dbraw/zinc/09/06/06/564090606.db2.gz	DKSSWRZYPRHUJY-UHFFFAOYSA-N	-1	3	329.425	4.136	50	30		EIEAHM
O=C(c1ccc(N=Cc2c([O-])cccc2Cl)cc1)N1CCCCC1	ZINC000252623958	564123066	/nfs/dbraw/zinc/12/30/66/564123066.db2.gz	PCZLPQKLLBWURK-UHFFFAOYSA-N	-1	3	342.826	4.422	50	30		EIEAHM
CCc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](CC)C2	ZINC000013327315	564136206	/nfs/dbraw/zinc/13/62/06/564136206.db2.gz	IYSZCEUKKNFBGO-NSHDSACASA-N	-1	3	343.452	4.246	50	30		EIEAHM
C=CCOc1ccc(/C=N/c2ccc(Br)cc2)c([O-])c1	ZINC000002490078	564149897	/nfs/dbraw/zinc/14/98/97/564149897.db2.gz	QZEJDEQDJFZMTI-WOJGMQOQSA-N	-1	3	332.197	4.470	50	30		EIEAHM
CCOc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057411898	564154002	/nfs/dbraw/zinc/15/40/02/564154002.db2.gz	XEKQCWXBMKOLCX-WOJGMQOQSA-N	-1	3	334.213	4.173	50	30		EIEAHM
Cc1nn(Cc2ccccc2)c(C)c1/C=C1\Cc2c(cccc2[O-])C1=O	ZINC000011336153	211212207	/nfs/dbraw/zinc/21/22/07/211212207.db2.gz	LPWYWQAVNVPMKW-GZTJUZNOSA-N	-1	3	344.414	4.076	50	30		EIEAHM
N#CC(=C([O-])c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1	ZINC000000086638	563220811	/nfs/dbraw/zinc/22/08/11/563220811.db2.gz	FPFJTOZAZJMXNZ-NSHDSACASA-N	-1	3	330.174	4.360	50	30		EIEAHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1Cl	ZINC000016195805	563805619	/nfs/dbraw/zinc/80/56/19/563805619.db2.gz	NPFXBGCUFFJRPK-QGMBQPNBSA-N	-1	3	326.179	4.389	50	30		EIEAHM
COc1cc(C(=O)/C=C/c2cccc(Br)c2)ccc1[O-]	ZINC000008322718	564082259	/nfs/dbraw/zinc/08/22/59/564082259.db2.gz	AZFXALXSKKXEIX-FNORWQNLSA-N	-1	3	333.181	4.059	50	30		EIEAHM
CCN(CC)c1ccc(C=Nc2cccc([N+](=O)[O-])c2C)c([O-])c1	ZINC000252460593	564118664	/nfs/dbraw/zinc/11/86/64/564118664.db2.gz	GOZVSVAMHRIEKC-UHFFFAOYSA-N	-1	3	327.384	4.206	50	30		EIEAHM
N#Cc1c2c(sc1[N-]C(=O)c1cc(-c3ccccc3)on1)CCCC2	ZINC000000614632	564133494	/nfs/dbraw/zinc/13/34/94/564133494.db2.gz	VORBTJDJTPLDJM-UHFFFAOYSA-N	-1	3	349.415	4.406	50	30		EIEAHM
CC(=O)N1C[C@@H](CCC(=O)Nc2cccc([O-])c2F)c2ccccc21	ZINC000328587868	564136598	/nfs/dbraw/zinc/13/65/98/564136598.db2.gz	CXMZVVAZWPVILS-CYBMUJFWSA-N	-1	3	342.370	4.050	50	30		EIEAHM
[O-]c1c(O)ccc(C=Nc2ccc(OC3CCCC3)c(F)c2)c1O	ZINC000255188548	1036796637	/nfs/dbraw/zinc/79/66/37/1036796637.db2.gz	SQSJHFPQJNICRY-UHFFFAOYSA-N	-1	3	331.343	4.015	50	30		EIEAHM
CCOc1ccccc1C(=O)/C=C\c1cc(Cl)c([O-])c(OC)c1	ZINC000096765533	1041606317	/nfs/dbraw/zinc/60/63/17/1041606317.db2.gz	OTFBMNHYPKRJPN-HJWRWDBZSA-N	-1	3	332.783	4.349	50	30		EIEAHM
CCOc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-]	ZINC000033476393	1047341323	/nfs/dbraw/zinc/34/13/23/1047341323.db2.gz	JGWYPUHLORWNLR-BAQGIRSFSA-N	-1	3	347.754	4.249	50	30		EIEAHM
O=c1[nH]c(=S)[n-]nc1-c1ccccc1N=Cc1ccc(Cl)cc1	ZINC000102301923	219193435	/nfs/dbraw/zinc/19/34/35/219193435.db2.gz	VLEQFMRQJPVOEV-GIJQJNRQSA-N	-1	3	342.811	4.311	50	30		EIEAHM
[O-]c1ccc(CN=Nc2ccc3ccccc3n2)cc1Br	ZINC000020110793	212102381	/nfs/dbraw/zinc/10/23/81/212102381.db2.gz	VEFGVDRHKMWGGT-VCHYOVAHSA-N	-1	3	342.196	4.149	50	30		EIEAHM
O=C1C=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2[O-])CCC1	ZINC000080325298	217297960	/nfs/dbraw/zinc/29/79/60/217297960.db2.gz	DKCBQCWNDPKETA-FQEVSTJZSA-N	-1	3	332.403	4.180	50	30		EIEAHM
CCCOc1c(/C=C/C(=O)c2cccc([O-])c2)cccc1OCC	ZINC000008322466	520290898	/nfs/dbraw/zinc/29/08/98/520290898.db2.gz	BTULCBXWLJXQSX-VAWYXSNFSA-N	-1	3	326.392	4.476	50	30		EIEAHM
C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000013118425	563688422	/nfs/dbraw/zinc/68/84/22/563688422.db2.gz	RWNPHXLIAIBUGH-AMLAACBPSA-N	-1	3	334.419	4.297	50	30		EIEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2)ccc1[O-]	ZINC000096803780	563962627	/nfs/dbraw/zinc/96/26/27/563962627.db2.gz	JUJURNIXPKGFSS-HYARGMPZSA-N	-1	3	343.386	4.466	50	30		EIEAHM
O=S(=O)(/N=C/c1c([O-])ccc2ccccc12)c1ccc(Cl)cc1	ZINC000000197365	563988280	/nfs/dbraw/zinc/98/82/80/563988280.db2.gz	ADSTUSPWWHPJQL-YBFXNURJSA-N	-1	3	345.807	4.007	50	30		EIEAHM
[O-]c1ccc2cc(Br)ccc2c1/C=N/c1ccccn1	ZINC000000499687	564018451	/nfs/dbraw/zinc/01/84/51/564018451.db2.gz	ZXHHGVBRGLSSQR-VXLYETTFSA-N	-1	3	327.181	4.454	50	30		EIEAHM
[O-]c1ccccc1/C=N\[C@@H](c1ccccc1)c1ccc2c(c1)OCO2	ZINC000103758394	564023129	/nfs/dbraw/zinc/02/31/29/564023129.db2.gz	VCNCKAQNALJQDO-OKIKLVOASA-N	-1	3	331.371	4.329	50	30		EIEAHM
N#Cc1ccsc1[N-]C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000006609095	564093236	/nfs/dbraw/zinc/09/32/36/564093236.db2.gz	NKGZLGSNKNHVSQ-UHFFFAOYSA-N	-1	3	339.332	4.040	50	30		EIEAHM
COc1cc(/C=C\C(=O)c2ccccc2)cc(Br)c1[O-]	ZINC000033618481	1047651865	/nfs/dbraw/zinc/65/18/65/1047651865.db2.gz	KQFFBNPKNSPRSS-FPLPWBNLSA-N	-1	3	333.181	4.059	50	30		EIEAHM
COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(Br)c1[O-]	ZINC000033644698	1047685425	/nfs/dbraw/zinc/68/54/25/1047685425.db2.gz	BPFGULKIZQRIBJ-YVMONPNESA-N	-1	3	347.208	4.368	50	30		EIEAHM
CC(=O)Nc1ccc(/C=C2/C(=O)c3c(c(Cl)ccc3[O-])[C@@H]2C)cc1	ZINC000101497895	1053978800	/nfs/dbraw/zinc/97/88/00/1053978800.db2.gz	AAZZUZYAKGYKGH-GMROUXNLSA-N	-1	3	341.794	4.387	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NNc1ccc2ccccc2n1	ZINC000004151318	210133072	/nfs/dbraw/zinc/13/30/72/210133072.db2.gz	IDPOFDYEBLHNSH-VCHYOVAHSA-N	-1	3	342.196	4.149	50	30		EIEAHM
COc1ccc(C(=O)C(C#N)=N[N-]c2c(Cl)cccc2Cl)cc1	ZINC000103743928	219322942	/nfs/dbraw/zinc/32/29/42/219322942.db2.gz	HKUXVNOSUCDVFS-XSFVSMFZSA-N	-1	3	348.189	4.176	50	30		EIEAHM
[O-]c1ccccc1/C=N/[C@H](c1ccccc1)c1ccc2c(c1)OCO2	ZINC000000378211	563299419	/nfs/dbraw/zinc/29/94/19/563299419.db2.gz	VCNCKAQNALJQDO-XWRADEMYSA-N	-1	3	331.371	4.329	50	30		EIEAHM
Cn1c2ccccc2s/c1=N\N=C\c1c([O-])ccc2ccccc21	ZINC000012570162	563663242	/nfs/dbraw/zinc/66/32/42/563663242.db2.gz	VADMIUVCICMQLO-DAEVNUGZSA-N	-1	3	333.416	4.033	50	30		EIEAHM
COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2[O-])cc1OC	ZINC000013113751	563688170	/nfs/dbraw/zinc/68/81/70/563688170.db2.gz	FVDXDDFQXPUFJK-MZFDCTSESA-N	-1	3	342.313	4.215	50	30		EIEAHM
CSc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000044835642	564027263	/nfs/dbraw/zinc/02/72/63/564027263.db2.gz	BJEBJXDTSHBGTI-LICLKQGHSA-N	-1	3	336.254	4.496	50	30		EIEAHM
CCOc1cccc(-c2nnc([N-]C(=O)c3cccs3)s2)c1	ZINC000001260289	564062752	/nfs/dbraw/zinc/06/27/52/564062752.db2.gz	CODBTSQEMJJQIS-UHFFFAOYSA-N	-1	3	331.422	4.302	50	30		EIEAHM
Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c([O-])c1	ZINC000024958874	564078933	/nfs/dbraw/zinc/07/89/33/564078933.db2.gz	VLQWGKLCXRTIOH-UHFFFAOYSA-N	-1	3	327.383	4.353	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NNc1cccc2cccnc21	ZINC000252639843	564124632	/nfs/dbraw/zinc/12/46/32/564124632.db2.gz	YODBRDORVMQDHR-UHFFFAOYSA-N	-1	3	342.196	4.149	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2cccc(Br)c2)ccc1[O-]	ZINC000033474371	1025849292	/nfs/dbraw/zinc/84/92/92/1025849292.db2.gz	AZFXALXSKKXEIX-ALCCZGGFSA-N	-1	3	333.181	4.059	50	30		EIEAHM
C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/[O-]	ZINC000100620565	219102820	/nfs/dbraw/zinc/10/28/20/219102820.db2.gz	RWNPHXLIAIBUGH-HHOSYTOVSA-N	-1	3	334.419	4.297	50	30		EIEAHM
O=C(c1ccc(/N=C/c2c([O-])cccc2Cl)cc1)N1CCCCC1	ZINC000000062677	209396331	/nfs/dbraw/zinc/39/63/31/209396331.db2.gz	PCZLPQKLLBWURK-FYJGNVAPSA-N	-1	3	342.826	4.422	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1C)O2	ZINC000020503953	212141612	/nfs/dbraw/zinc/14/16/12/212141612.db2.gz	IIXIWBWRBCMJQB-UNOMPAQXSA-N	-1	3	337.419	4.159	50	30		EIEAHM
Cc1nn(-c2ccccc2)c(C)c1/C=C1\Cc2c(cccc2[O-])C1=O	ZINC000011336192	211211791	/nfs/dbraw/zinc/21/17/91/211211791.db2.gz	YVVMYEZZUKHYKX-RVDMUPIBSA-N	-1	3	330.387	4.017	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccnn1-c1ccccc1	ZINC000001045288	563370149	/nfs/dbraw/zinc/37/01/49/563370149.db2.gz	JKDWWYXZLNLBBA-WOJGMQOQSA-N	-1	3	342.196	4.091	50	30		EIEAHM
[O-]c1ccc2ccccc2c1/C=N/NC(=S)Nc1ccc(F)cc1	ZINC000002506469	563434929	/nfs/dbraw/zinc/43/49/29/563434929.db2.gz	MJHXCBZGQVTSOC-RGVLZGJSSA-N	-1	3	339.395	4.005	50	30		EIEAHM
CCOC(=O)c1c(/N=C/c2ccc(C)cc2[O-])sc2c1CCC2	ZINC000013126223	563689559	/nfs/dbraw/zinc/68/95/59/563689559.db2.gz	KIHKDXASBNNIJX-VXLYETTFSA-N	-1	3	329.421	4.178	50	30		EIEAHM
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccccc2OC)c([O-])c1	ZINC000018182236	564018627	/nfs/dbraw/zinc/01/86/27/564018627.db2.gz	HUSXCUQXZQVPSX-UHFFFAOYSA-N	-1	3	336.391	4.413	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2c(F)cccc2F)sc2c1CCCCC2	ZINC000001053548	564054221	/nfs/dbraw/zinc/05/42/21/564054221.db2.gz	CLKOMJJEAFDXEV-UHFFFAOYSA-N	-1	3	332.375	4.419	50	30		EIEAHM
N#Cc1csc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1	ZINC000084085859	564066297	/nfs/dbraw/zinc/06/62/97/564066297.db2.gz	CGJVVVSYRADRHE-UHFFFAOYSA-N	-1	3	346.824	4.044	50	30		EIEAHM
C[C@@H](C#N)Sc1nnc([N-]c2ccccc2C(F)(F)F)s1	ZINC000007309917	564106680	/nfs/dbraw/zinc/10/66/80/564106680.db2.gz	FTWWBISVJPMVKP-ZETCQYMHSA-N	-1	3	330.360	4.305	50	30		EIEAHM
CCOc1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000066516716	564162681	/nfs/dbraw/zinc/16/26/81/564162681.db2.gz	OLZVIHAMNGEJIJ-CKDIWJPDSA-N	-1	3	332.359	4.116	50	30		EIEAHM
CCOc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cc(Cl)c1[O-]	ZINC000095468051	1047802527	/nfs/dbraw/zinc/80/25/27/1047802527.db2.gz	XJRCFRWUTFCXGH-ONEGZZNKSA-N	-1	3	338.190	4.389	50	30		EIEAHM
CCCCC#Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000003997440	210097685	/nfs/dbraw/zinc/09/76/85/210097685.db2.gz	JERVDTMQMZMJMZ-UHFFFAOYSA-N	-1	3	327.449	4.338	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1[O-]	ZINC000040140038	213271608	/nfs/dbraw/zinc/27/16/08/213271608.db2.gz	MVUIRAUZAAYYMB-ZZXKWVIFSA-N	-1	3	336.746	4.098	50	30		EIEAHM
CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(C)c1)O2	ZINC000020533373	212144877	/nfs/dbraw/zinc/14/48/77/212144877.db2.gz	LQICTFYVTYLQAR-UNOMPAQXSA-N	-1	3	337.419	4.159	50	30		EIEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)o1)O2	ZINC000020519092	212142576	/nfs/dbraw/zinc/14/25/76/212142576.db2.gz	HHAHMZQUSFDEST-WQRHYEAKSA-N	-1	3	341.407	4.142	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1[O-]	ZINC000007714238	210835040	/nfs/dbraw/zinc/83/50/40/210835040.db2.gz	HOXSRMNLQWRBBQ-BJMVGYQFSA-N	-1	3	326.392	4.429	50	30		EIEAHM
C[C@H](CNc1ccccc1)NC(=O)c1cc([O-])ccc1C(F)(F)F	ZINC000330032298	258002340	/nfs/dbraw/zinc/00/23/40/258002340.db2.gz	LYFZNNXPZLCIBS-LLVKDONJSA-N	-1	3	338.329	4.216	50	30		EIEAHM
CC(=O)N1C[C@H](CCC(=O)Nc2cccc([O-])c2F)c2ccccc21	ZINC000328587869	519636067	/nfs/dbraw/zinc/63/60/67/519636067.db2.gz	CXMZVVAZWPVILS-ZDUSSCGKSA-N	-1	3	342.370	4.050	50	30		EIEAHM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000002242743	563427675	/nfs/dbraw/zinc/42/76/75/563427675.db2.gz	PEWOESYEGLBLNR-MVKOHCKWSA-N	-1	3	348.258	4.030	50	30		EIEAHM
CC1(C)[C@H]2CC[C@]1(C)C([O-])=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002242743	563427679	/nfs/dbraw/zinc/42/76/79/563427679.db2.gz	PEWOESYEGLBLNR-MVKOHCKWSA-N	-1	3	348.258	4.030	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1[O-]	ZINC000016404793	564084786	/nfs/dbraw/zinc/08/47/86/564084786.db2.gz	DHDXHBYLMOOGBX-JXMROGBWSA-N	-1	3	338.403	4.184	50	30		EIEAHM
N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cn1	ZINC000161900483	564150684	/nfs/dbraw/zinc/15/06/84/564150684.db2.gz	WPAFSMBQSHMEOG-JTQLQIEISA-N	-1	3	342.679	4.383	50	30		EIEAHM
O=S(=O)(/N=C\c1c([O-])ccc2ccccc12)c1ccc(Cl)cc1	ZINC000102962998	1024833714	/nfs/dbraw/zinc/83/37/14/1024833714.db2.gz	ADSTUSPWWHPJQL-ODLFYWEKSA-N	-1	3	345.807	4.007	50	30		EIEAHM
CC(=NN=c1[nH]c2ccccc2n1C)c1ccc2ccccc2c1[O-]	ZINC000254560483	1038360917	/nfs/dbraw/zinc/36/09/17/1038360917.db2.gz	WAZGVLKXXVVDLY-UHFFFAOYSA-N	-1	3	330.391	4.268	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2ccc(Br)cc2)ccc1[O-]	ZINC000033474366	1047341785	/nfs/dbraw/zinc/34/17/85/1047341785.db2.gz	TXCDZPDGDMZUOT-YWEYNIOJSA-N	-1	3	333.181	4.059	50	30		EIEAHM
CCN(/N=C/c1c([O-])ccc2ccccc21)c1nc2ccccc2[nH]1	ZINC000004149809	210133088	/nfs/dbraw/zinc/13/30/88/210133088.db2.gz	GCZGTTMSGNRQKN-FYJGNVAPSA-N	-1	3	330.391	4.282	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1ccc(OCc2ccccn2)cc1	ZINC000040139830	213271142	/nfs/dbraw/zinc/27/11/42/213271142.db2.gz	YQWBUIYRWGPVND-FOWTUZBSSA-N	-1	3	343.382	4.189	50	30		EIEAHM
C=CCSc1nnc([N-]C(=O)c2oc3ccccc3c2C)s1	ZINC000006836505	519091548	/nfs/dbraw/zinc/09/15/48/519091548.db2.gz	SWQKIIIVIPQLFB-UHFFFAOYSA-N	-1	3	331.422	4.123	50	30		EIEAHM
COc1cc(C(=O)/C=C/c2ccccc2OC(F)(F)F)ccc1[O-]	ZINC000012730172	522049669	/nfs/dbraw/zinc/04/96/69/522049669.db2.gz	RHUHNWWYIHHFMN-SOFGYWHQSA-N	-1	3	338.281	4.196	50	30		EIEAHM
Cc1cc(-c2ccccc2)nc(N=NCc2cc(Cl)ccc2[O-])n1	ZINC000004154843	526043329	/nfs/dbraw/zinc/04/33/29/526043329.db2.gz	ZMXUDXBPYHFUPN-RGVLZGJSSA-N	-1	3	338.798	4.257	50	30		EIEAHM
CCN(CC)c1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)c([O-])c1	ZINC000000125133	563236577	/nfs/dbraw/zinc/23/65/77/563236577.db2.gz	GOZVSVAMHRIEKC-XDHOZWIPSA-N	-1	3	327.384	4.206	50	30		EIEAHM
CC1(C)Cc2ccccc2C(NN=Cc2c([O-])ccc3ccccc32)=N1	ZINC000000320664	563284389	/nfs/dbraw/zinc/28/43/89/563284389.db2.gz	DSQRDBVPXNRMEZ-OEAKJJBVSA-N	-1	3	343.430	4.250	50	30		EIEAHM
Cc1cccc(NC(=S)N/N=C/c2c([O-])ccc3ccccc32)c1	ZINC000000731361	563362703	/nfs/dbraw/zinc/36/27/03/563362703.db2.gz	CSEFMPIFXDGPGZ-UDWIEESQSA-N	-1	3	335.432	4.174	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000016671215	563820186	/nfs/dbraw/zinc/82/01/86/563820186.db2.gz	OCVIGUACSOHJHP-PXNMLYILSA-N	-1	3	348.225	4.210	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1cc(F)cc(F)c1	ZINC000044835650	563926705	/nfs/dbraw/zinc/92/67/05/563926705.db2.gz	FVWJENLXTVKXFU-QGMBQPNBSA-N	-1	3	326.140	4.052	50	30		EIEAHM
Cc1ncc(CO)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1[O-]	ZINC000005110556	563994409	/nfs/dbraw/zinc/99/44/09/563994409.db2.gz	CIFNHLKEWWBOPO-WSDLNYQXSA-N	-1	3	334.375	4.131	50	30		EIEAHM
COc1ccc(C(=O)/C=C/c2cc(Br)ccc2[O-])cc1	ZINC000005555601	564005302	/nfs/dbraw/zinc/00/53/02/564005302.db2.gz	RXEZLHKVZQYXIY-XBXARRHUSA-N	-1	3	333.181	4.059	50	30		EIEAHM
CCc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](CC)C2	ZINC000013327313	564136227	/nfs/dbraw/zinc/13/62/27/564136227.db2.gz	IYSZCEUKKNFBGO-LLVKDONJSA-N	-1	3	343.452	4.246	50	30		EIEAHM
Cc1ccc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)c(C)c1	ZINC000069846738	564172505	/nfs/dbraw/zinc/17/25/05/564172505.db2.gz	VPEGVODLZSBAFI-HNNXBMFYSA-N	-1	3	333.416	4.312	50	30		EIEAHM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1F	ZINC000041557880	564174069	/nfs/dbraw/zinc/17/40/69/564174069.db2.gz	XBJFGALKPRPLQF-LBPRGKRZSA-N	-1	3	343.308	4.369	50	30		EIEAHM
Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(C3CC3)s2)s1	ZINC000029474048	1035557539	/nfs/dbraw/zinc/55/75/39/1035557539.db2.gz	OUFKNDJZFJRSIE-UHFFFAOYSA-N	-1	3	342.449	4.484	50	30		EIEAHM
COc1ccc2cc(/C=C\C(=O)c3ccc([O-])c(OC)c3)ccc2c1	ZINC000096792772	1039380072	/nfs/dbraw/zinc/38/00/72/1039380072.db2.gz	LPZZMIPSVZJXNK-WTKPLQERSA-N	-1	3	334.371	4.459	50	30		EIEAHM
CC(=O)Nc1ccc(/C=C2/C(=O)c3c(c(Cl)ccc3[O-])[C@H]2C)cc1	ZINC000101497893	1053978011	/nfs/dbraw/zinc/97/80/11/1053978011.db2.gz	AAZZUZYAKGYKGH-RSYJBZMQSA-N	-1	3	341.794	4.387	50	30		EIEAHM
[O-]/N=C/c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12	ZINC000100923052	219111642	/nfs/dbraw/zinc/11/16/42/219111642.db2.gz	ZUTXARPSTYPXJO-REZTVBANSA-N	-1	3	343.355	4.374	50	30		EIEAHM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1	ZINC000003908633	210091802	/nfs/dbraw/zinc/09/18/02/210091802.db2.gz	LKSJZZSXJLKEIT-LLVKDONJSA-N	-1	3	343.452	4.320	50	30		EIEAHM
CCc1sc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1C	ZINC000103504484	219309070	/nfs/dbraw/zinc/30/90/70/219309070.db2.gz	OVUIZVQTODAVLN-NSHDSACASA-N	-1	3	346.839	4.234	50	30		EIEAHM
Cc1cc(C(=O)[N-]c2sc(C)c(-c3ccc(C)cc3)c2C#N)no1	ZINC000013327727	211546211	/nfs/dbraw/zinc/54/62/11/211546211.db2.gz	ODPBXCTVJBGICN-UHFFFAOYSA-N	-1	3	337.404	4.452	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1C#N	ZINC000095415110	218353173	/nfs/dbraw/zinc/35/31/73/218353173.db2.gz	WQCUBABLEHFRMC-UHFFFAOYSA-N	-1	3	347.371	4.099	50	30		EIEAHM
O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\C=C\c1ccccc1	ZINC000013541663	258001892	/nfs/dbraw/zinc/00/18/92/258001892.db2.gz	KSXUFCHOLUMLDG-CRVGVPJFSA-N	-1	3	347.414	4.160	50	30		EIEAHM
Cc1cc(/C=N/[O-])c(C)c(COCc2cc(C)cc(/C=N/O)c2C)c1	ZINC000000272619	526096777	/nfs/dbraw/zinc/09/67/77/526096777.db2.gz	PKYOLASHJFLIPO-VGENTYGXSA-N	-1	3	340.423	4.253	50	30		EIEAHM
[O-]c1ccccc1/C=N/[C@@H](c1ccccc1)c1ccc2c(c1)OCO2	ZINC000000378208	563299430	/nfs/dbraw/zinc/29/94/30/563299430.db2.gz	VCNCKAQNALJQDO-UKKLRFBMSA-N	-1	3	331.371	4.329	50	30		EIEAHM
N#CCCSc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000097312393	563366351	/nfs/dbraw/zinc/36/63/51/563366351.db2.gz	BDRDWJOCNVKAEP-KAMYIIQDSA-N	-1	3	344.461	4.105	50	30		EIEAHM
C[C@@H]1CCc2sc([N-]C(=O)c3c(F)cccc3F)c(C#N)c2C1	ZINC000001518409	564003627	/nfs/dbraw/zinc/00/36/27/564003627.db2.gz	PAMMMKKGLCUKDZ-SECBINFHSA-N	-1	3	332.375	4.275	50	30		EIEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)c2cc(OC)ccc21	ZINC000026439506	564082199	/nfs/dbraw/zinc/08/21/99/564082199.db2.gz	UDDOICKRMDJBMR-OCKHKDLRSA-N	-1	3	349.386	4.300	50	30		EIEAHM
C=CCOc1ccc(C(F)(F)F)cc1C([O-])=C(C#N)c1ccccn1	ZINC000076018967	564114493	/nfs/dbraw/zinc/11/44/93/564114493.db2.gz	RZDTZODMRKRVPC-AWEZNQCLSA-N	-1	3	346.308	4.155	50	30		EIEAHM
O=C1[N-]/C(=N/c2ccccc2)S[C@@H]1Cc1cccc2ccccc21	ZINC000002473641	564149712	/nfs/dbraw/zinc/14/97/12/564149712.db2.gz	PZSWLMJYIYWZRQ-GOSISDBHSA-N	-1	3	332.428	4.302	50	30		EIEAHM
Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)c(C)c1	ZINC000058265637	214520735	/nfs/dbraw/zinc/52/07/35/214520735.db2.gz	NQEWATZBHIWMEP-OAHLLOKOSA-N	-1	3	333.416	4.312	50	30		EIEAHM
N#Cc1c2c(sc1[N-]C(=O)c1cc(-c3ccccc3)on1)CCC2	ZINC000000815056	209689005	/nfs/dbraw/zinc/68/90/05/209689005.db2.gz	NPEQZGKVMMUHPY-UHFFFAOYSA-N	-1	3	335.388	4.016	50	30		EIEAHM
Cc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Cl	ZINC000036714286	213113369	/nfs/dbraw/zinc/11/33/69/213113369.db2.gz	AGAFIGKNWVCCLX-UHFFFAOYSA-N	-1	3	332.713	4.006	50	30		EIEAHM
Cc1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Cl	ZINC000036714286	213113371	/nfs/dbraw/zinc/11/33/71/213113371.db2.gz	AGAFIGKNWVCCLX-UHFFFAOYSA-N	-1	3	332.713	4.006	50	30		EIEAHM
COc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1[O-]	ZINC000000066105	209397047	/nfs/dbraw/zinc/39/70/47/209397047.db2.gz	QNPUSAOBAPAYLT-HYARGMPZSA-N	-1	3	331.371	4.382	50	30		EIEAHM
CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1[O-]	ZINC000000047317	209389625	/nfs/dbraw/zinc/38/96/25/209389625.db2.gz	BHSJJKLQFLWLIE-RGVLZGJSSA-N	-1	3	326.421	4.353	50	30		EIEAHM
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1[O-]	ZINC000005061145	519240133	/nfs/dbraw/zinc/24/01/33/519240133.db2.gz	ALWGWCJKCZOZBM-UHFFFAOYSA-N	-1	3	341.411	4.268	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1ccccc1OCc1ccccn1	ZINC000025175333	527125790	/nfs/dbraw/zinc/12/57/90/527125790.db2.gz	CCNDXSDEXMAFMP-VBKFSLOCSA-N	-1	3	343.382	4.189	50	30		EIEAHM
CCOc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000008321633	564035346	/nfs/dbraw/zinc/03/53/46/564035346.db2.gz	AHHHEEWLQJOOQI-RUDMXATFSA-N	-1	3	332.783	4.349	50	30		EIEAHM
Cc1ccn2c(c1)nc(-c1ccccc1[O-])c2N=Cc1ccccc1O	ZINC000390826108	564138454	/nfs/dbraw/zinc/13/84/54/564138454.db2.gz	BVWBNKZUSMCXDL-UHFFFAOYSA-N	-1	3	343.386	4.472	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2cc(F)ccc2F)sc2c1CCCCC2	ZINC000002752142	564152454	/nfs/dbraw/zinc/15/24/54/564152454.db2.gz	YWIBEJHGEDLCAU-UHFFFAOYSA-N	-1	3	332.375	4.419	50	30		EIEAHM
N#Cc1ccsc1[N-]C(=O)c1ccc(COc2ccccc2F)o1	ZINC000058244513	564158199	/nfs/dbraw/zinc/15/81/99/564158199.db2.gz	UHSGYADZAXLLEV-UHFFFAOYSA-N	-1	3	342.351	4.183	50	30		EIEAHM
CCN(CC)c1ccc(/C=N/c2nc3c(s2)CCCC3)c([O-])c1	ZINC000103447803	219299707	/nfs/dbraw/zinc/29/97/07/219299707.db2.gz	QCMGDEUWCOQNNB-XDHOZWIPSA-N	-1	3	329.469	4.324	50	30		EIEAHM
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc([O-])c1	ZINC000015188942	527605182	/nfs/dbraw/zinc/60/51/82/527605182.db2.gz	KSUCPCXAAUTQAJ-CSKARUKUSA-N	-1	3	335.315	4.457	50	30		EIEAHM
CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O	ZINC000018254571	564019006	/nfs/dbraw/zinc/01/90/06/564019006.db2.gz	HYRHEONZSLCXJZ-KOMLCTQHSA-N	-1	3	345.406	4.003	50	30		EIEAHM
CC(Nc1ccc(C)cc1)=C1C(C)=NN(c2nc3ccccc3[n-]2)C1=O	ZINC000018254571	564019007	/nfs/dbraw/zinc/01/90/07/564019007.db2.gz	HYRHEONZSLCXJZ-KOMLCTQHSA-N	-1	3	345.406	4.003	50	30		EIEAHM
Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc([O-])cc1	ZINC000100130220	219092386	/nfs/dbraw/zinc/09/23/86/219092386.db2.gz	BTDQWRKOQJWJPO-PYCFMQQDSA-N	-1	3	332.403	4.364	50	30		EIEAHM
COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1Cl	ZINC000100293181	219096147	/nfs/dbraw/zinc/09/61/47/219096147.db2.gz	DSUCROFAMSDIQZ-BBJIBYMTSA-N	-1	3	341.798	4.090	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N/c1nc2c(s1)CCCC2	ZINC000000064298	209397032	/nfs/dbraw/zinc/39/70/32/209397032.db2.gz	HTPRYOYZHXIPKS-LZYBPNLTSA-N	-1	3	337.242	4.241	50	30		EIEAHM
[O-]c1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O	ZINC000000065152	209397074	/nfs/dbraw/zinc/39/70/74/209397074.db2.gz	UBDGIWFWXOPICF-FRKPEAEDSA-N	-1	3	326.577	4.264	50	30		EIEAHM
Cc1cc(C(=O)[N-]c2sc(C)c(-c3ccc(F)cc3)c2C#N)no1	ZINC000013328090	211547424	/nfs/dbraw/zinc/54/74/24/211547424.db2.gz	WAEPOPLXBKYVMC-UHFFFAOYSA-N	-1	3	341.367	4.283	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1[O-]	ZINC000005128001	210397081	/nfs/dbraw/zinc/39/70/81/210397081.db2.gz	BPFGULKIZQRIBJ-VMPITWQZSA-N	-1	3	347.208	4.368	50	30		EIEAHM
C=CCSc1nnc([N-]C(=O)c2oc3ccc(F)cc3c2C)s1	ZINC000008210598	519091579	/nfs/dbraw/zinc/09/15/79/519091579.db2.gz	SNMCQCDDQGBQDX-UHFFFAOYSA-N	-1	3	349.412	4.262	50	30		EIEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2	ZINC000020503826	520418031	/nfs/dbraw/zinc/41/80/31/520418031.db2.gz	BLEVZKYBZCXEDF-BOPFTXTBSA-N	-1	3	343.448	4.302	50	30		EIEAHM
CCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1OCC	ZINC000044835579	564027284	/nfs/dbraw/zinc/02/72/84/564027284.db2.gz	MLVQKEVKDDOUJM-UDWIEESQSA-N	-1	3	333.815	4.462	50	30		EIEAHM
C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)cccc1F	ZINC000065453216	564106073	/nfs/dbraw/zinc/10/60/73/564106073.db2.gz	XKDDMZVKMDWUPG-NSHDSACASA-N	-1	3	332.375	4.469	50	30		EIEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(F)ccc3F)sc2C1	ZINC000002751963	564152468	/nfs/dbraw/zinc/15/24/68/564152468.db2.gz	MRCZLWXIXDBWKV-SECBINFHSA-N	-1	3	332.375	4.275	50	30		EIEAHM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000100072070	219090104	/nfs/dbraw/zinc/09/01/04/219090104.db2.gz	PEWOESYEGLBLNR-AMXGMDGSSA-N	-1	3	348.258	4.030	50	30		EIEAHM
CC1(C)[C@@H]2CC[C@@]1(C)C([O-])=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100072070	219090107	/nfs/dbraw/zinc/09/01/07/219090107.db2.gz	PEWOESYEGLBLNR-AMXGMDGSSA-N	-1	3	348.258	4.030	50	30		EIEAHM
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/[O-]	ZINC000100620569	219102824	/nfs/dbraw/zinc/10/28/24/219102824.db2.gz	RWNPHXLIAIBUGH-IBNNLEKCSA-N	-1	3	334.419	4.297	50	30		EIEAHM
Cc1cc2c(c([O-])c1)C(=O)/C(=C/c1ccc(Br)cc1)O2	ZINC000011865200	211260443	/nfs/dbraw/zinc/26/04/43/211260443.db2.gz	VUOBVSKIBQTNRX-ZSOIEALJSA-N	-1	3	331.165	4.079	50	30	biogenic	EIEAHM
[O-]c1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Br	ZINC000009193476	211050646	/nfs/dbraw/zinc/05/06/46/211050646.db2.gz	QDMNMGHSRYGUPR-LZYBPNLTSA-N	-1	3	348.225	4.210	50	30		EIEAHM
COc1ccc(C)cc1NN=C1C=CC(=O)c2nc(C=N[O-])ccc21	ZINC000004989820	210351032	/nfs/dbraw/zinc/35/10/32/210351032.db2.gz	QBCDFYGUILUEAI-BQXUQRCCSA-N	-1	3	336.351	4.481	50	30		EIEAHM
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1cccc([O-])c1	ZINC000096891387	527526699	/nfs/dbraw/zinc/52/66/99/527526699.db2.gz	CBPTWCOSSKAJTC-KHPPLWFESA-N	-1	3	336.366	4.230	50	30		EIEAHM
Cc1ccc(C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000101457388	564019455	/nfs/dbraw/zinc/01/94/55/564019455.db2.gz	ZVATYOZWRRJITP-POHAHGRESA-N	-1	3	330.199	4.453	50	30		EIEAHM
Cc1ccc(C(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000101457388	564019456	/nfs/dbraw/zinc/01/94/56/564019456.db2.gz	ZVATYOZWRRJITP-POHAHGRESA-N	-1	3	330.199	4.453	50	30		EIEAHM
[O-]c1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(O)c1	ZINC000013119762	563688408	/nfs/dbraw/zinc/68/84/08/563688408.db2.gz	YRLJEEONIRTFQX-CIAFOILYSA-N	-1	3	329.359	4.392	50	30		EIEAHM
[O-]c1cc(O)ccc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1	ZINC000013119762	563688409	/nfs/dbraw/zinc/68/84/09/563688409.db2.gz	YRLJEEONIRTFQX-CIAFOILYSA-N	-1	3	329.359	4.392	50	30		EIEAHM
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000013118423	563688549	/nfs/dbraw/zinc/68/85/49/563688549.db2.gz	RWNPHXLIAIBUGH-QPRNHSFYSA-N	-1	3	334.419	4.297	50	30		EIEAHM
O=c1cc(C(F)(F)F)c2ccc(/N=C\c3ccccc3[O-])cc2o1	ZINC000015218612	563780017	/nfs/dbraw/zinc/78/00/17/563780017.db2.gz	LDLCEBCEYWLLCV-NKVSQWTQSA-N	-1	3	333.265	4.268	50	30		EIEAHM
CCCCCCCCCCS(=O)(=O)[N-]/N=C/c1ccc(F)cc1	ZINC000098001421	563970913	/nfs/dbraw/zinc/97/09/13/563970913.db2.gz	CKVMPQLRNHNNIH-XDJHFCHBSA-N	-1	3	342.480	4.220	50	30		EIEAHM
Cc1ccc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)c(C)c1	ZINC000061068300	563992581	/nfs/dbraw/zinc/99/25/81/563992581.db2.gz	VPEGVODLZSBAFI-OAHLLOKOSA-N	-1	3	333.416	4.312	50	30		EIEAHM
[O-]c1ccccc1/C=N\[C@H](c1ccccc1)c1ccc2c(c1)OCO2	ZINC000103758399	564023117	/nfs/dbraw/zinc/02/31/17/564023117.db2.gz	VCNCKAQNALJQDO-BHMTVCBESA-N	-1	3	331.371	4.329	50	30		EIEAHM
C=CCOc1ccc(C(F)(F)F)cc1C([O-])=C(C#N)c1ccccn1	ZINC000076018969	564114507	/nfs/dbraw/zinc/11/45/07/564114507.db2.gz	RZDTZODMRKRVPC-CQSZACIVSA-N	-1	3	346.308	4.155	50	30		EIEAHM
O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1cccs1	ZINC000002433138	564135129	/nfs/dbraw/zinc/13/51/29/564135129.db2.gz	QHBNVFBYHQJLJP-BOPFTXTBSA-N	-1	3	341.432	4.056	50	30		EIEAHM
CCc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2	ZINC000013327694	564136202	/nfs/dbraw/zinc/13/62/02/564136202.db2.gz	GFKWFMZYRRCOHK-UHFFFAOYSA-N	-1	3	343.452	4.390	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2cc(-c3ccccc3)on2)c1C#N	ZINC000002863636	564152835	/nfs/dbraw/zinc/15/28/35/564152835.db2.gz	VYZBZSMLLKTOTH-UHFFFAOYSA-N	-1	3	337.404	4.398	50	30		EIEAHM
C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(OC)cc2)c([O-])cc1O	ZINC000031167012	518683115	/nfs/dbraw/zinc/68/31/15/518683115.db2.gz	TZHSNGXLLUGMMD-DHZHZOJOSA-N	-1	3	338.403	4.466	50	30	biogenic,in-vitro	EIEAHM
CCN(CC)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c([O-])c1	ZINC000000296951	563274713	/nfs/dbraw/zinc/27/47/13/563274713.db2.gz	BNZUOUBLHCHDIS-XDHOZWIPSA-N	-1	3	327.384	4.206	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1cc(Cl)c2c(c1)OCCCO2	ZINC000062581102	564006492	/nfs/dbraw/zinc/00/64/92/564006492.db2.gz	IQDDWYZDOXLJPW-KPKJPENVSA-N	-1	3	342.778	4.029	50	30		EIEAHM
CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O	ZINC000018190357	564018591	/nfs/dbraw/zinc/01/85/91/564018591.db2.gz	HYRHEONZSLCXJZ-LANLRWRYSA-N	-1	3	345.406	4.003	50	30		EIEAHM
CC(Nc1ccc(C)cc1)=C1C(C)=NN(c2nc3ccccc3[n-]2)C1=O	ZINC000018190357	564018592	/nfs/dbraw/zinc/01/85/92/564018592.db2.gz	HYRHEONZSLCXJZ-LANLRWRYSA-N	-1	3	345.406	4.003	50	30		EIEAHM
CCOC(=O)c1c(N=Cc2ccccc2[O-])sc2c1CCCC2	ZINC000252620094	564122315	/nfs/dbraw/zinc/12/23/15/564122315.db2.gz	LXHXNQDRGGBIBQ-UHFFFAOYSA-N	-1	3	329.421	4.260	50	30		EIEAHM
N#CC(=C([O-])c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1	ZINC000124419474	564138047	/nfs/dbraw/zinc/13/80/47/564138047.db2.gz	GBUNPHYTWOELKF-KRWDZBQOSA-N	-1	3	338.370	4.115	50	30		EIEAHM
CCOc1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1	ZINC000066516714	564162676	/nfs/dbraw/zinc/16/26/76/564162676.db2.gz	OLZVIHAMNGEJIJ-HMWXGYMHSA-N	-1	3	332.359	4.116	50	30		EIEAHM
CCN(CC)c1ccc(/C=N/c2ccc(OC)cc2OC)c([O-])c1	ZINC000004131999	210128222	/nfs/dbraw/zinc/12/82/22/210128222.db2.gz	NDUVERHDFWMNNP-DEDYPNTBSA-N	-1	3	328.412	4.006	50	30		EIEAHM
O=C1c2ccccc2S/C1=C\c1cc(Br)ccc1[O-]	ZINC000000058928	209394037	/nfs/dbraw/zinc/39/40/37/209394037.db2.gz	KEDNLJYCAVEKIQ-ZSOIEALJSA-N	-1	3	333.206	4.484	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N\c1cnc2ccccc2c1	ZINC000017425522	563844471	/nfs/dbraw/zinc/84/44/71/563844471.db2.gz	UFDBAJHILWHJLP-NVMNQCDNSA-N	-1	3	327.181	4.454	50	30		EIEAHM
Cc1cc2ncn(/N=C/c3cc(Br)ccc3[O-])c2cc1C	ZINC000000532473	564021585	/nfs/dbraw/zinc/02/15/85/564021585.db2.gz	MHDXWASTPAMUPA-UFWORHAWSA-N	-1	3	344.212	4.003	50	30		EIEAHM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1sc2c(c1C#N)CCC2	ZINC000001054238	564054223	/nfs/dbraw/zinc/05/42/23/564054223.db2.gz	ZOFSDBUGBMYXCS-UHFFFAOYSA-N	-1	3	349.415	4.324	50	30		EIEAHM
[O-]c1ccc(/C=N/c2c(-c3ccc(O)cc3)nc3ccccn32)cc1	ZINC000001797740	564087765	/nfs/dbraw/zinc/08/77/65/564087765.db2.gz	PXNGKEWZYIXTMK-FYJGNVAPSA-N	-1	3	329.359	4.163	50	30		EIEAHM
COc1ccc(C(=O)Nc2ccccc2C(=N[O-])c2ccccc2)cc1	ZINC000252621339	564122823	/nfs/dbraw/zinc/12/28/23/564122823.db2.gz	MVXVZTKNRIUIAV-UHFFFAOYSA-N	-1	3	346.386	4.174	50	30		EIEAHM
O=C(Nc1ccccc1O[C@@H]1CCOC1)c1cc([O-])c2ccccc2c1	ZINC000328594299	564136818	/nfs/dbraw/zinc/13/68/18/564136818.db2.gz	VMVLSTVQGCVHIZ-MRXNPFEDSA-N	-1	3	349.386	4.349	50	30		EIEAHM
[O-]c1ccc(Br)cc1/C=N/CCc1ccc(Cl)cc1	ZINC000057411974	564154009	/nfs/dbraw/zinc/15/40/09/564154009.db2.gz	DAERCBFHLJTUBK-VCHYOVAHSA-N	-1	3	338.632	4.470	50	30		EIEAHM
Cc1sc2ncnc([N-]N=C3c4cc(C)ccc4NC3=O)c2c1C	ZINC000006685295	210680070	/nfs/dbraw/zinc/68/00/70/210680070.db2.gz	ALTFIGPKFHHHGR-UHFFFAOYSA-N	-1	3	337.408	4.034	50	30		EIEAHM
C=C(Cl)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000012985453	564085782	/nfs/dbraw/zinc/08/57/82/564085782.db2.gz	CDUMLPPLCMANGZ-UHFFFAOYSA-N	-1	3	338.841	4.230	50	30		EIEAHM
CCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000000100538	563225997	/nfs/dbraw/zinc/22/59/97/563225997.db2.gz	DCSDSJNZJDYEPJ-VCHYOVAHSA-N	-1	3	348.196	4.082	50	30		EIEAHM
CCN(CC)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c([O-])c1	ZINC000000357916	563291572	/nfs/dbraw/zinc/29/15/72/563291572.db2.gz	XTQZXKFOKDNAJV-YBFXNURJSA-N	-1	3	331.347	4.036	50	30		EIEAHM
[O-]/N=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1	ZINC000000446087	563317018	/nfs/dbraw/zinc/31/70/18/563317018.db2.gz	DSCJGPNVYSAHOS-VCHYOVAHSA-N	-1	3	342.196	4.110	50	30		EIEAHM
CCc1n([C@H](/C(C)=N/[O-])c2ccccc2)c(-c2ccccc2)c(C)[n+]1[O-]	ZINC000005471868	563533986	/nfs/dbraw/zinc/53/39/86/563533986.db2.gz	BQCOZPJAWPMGKK-INKLHFNDSA-N	-1	3	349.434	4.099	50	30		EIEAHM
CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3[O-])NC2=O)cc1	ZINC000005522835	564005056	/nfs/dbraw/zinc/00/50/56/564005056.db2.gz	SNQJHNVIRIYKOF-BOPFTXTBSA-N	-1	3	338.432	4.407	50	30		EIEAHM
Cc1onc(-c2ccccc2)c1C(=O)[N-]c1sc(C)c(C)c1C#N	ZINC000017070888	564116358	/nfs/dbraw/zinc/11/63/58/564116358.db2.gz	SOHVYGDUUBMOIL-UHFFFAOYSA-N	-1	3	337.404	4.452	50	30		EIEAHM
COc1ccc(C(=O)C(C#N)=N[N-]c2c(Cl)cccc2Cl)cc1	ZINC000252608506	564121341	/nfs/dbraw/zinc/12/13/41/564121341.db2.gz	HKUXVNOSUCDVFS-UHFFFAOYSA-N	-1	3	348.189	4.176	50	30		EIEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cccc3F)sc2C1	ZINC000000484211	564133308	/nfs/dbraw/zinc/13/33/08/564133308.db2.gz	HVQZFCRCKCXUHD-SECBINFHSA-N	-1	3	332.375	4.275	50	30		EIEAHM
Cc1sc([N-]C(=S)NC(=O)c2ccccc2Cl)c(C#N)c1C	ZINC000002847261	564152799	/nfs/dbraw/zinc/15/27/99/564152799.db2.gz	NQYIVIBNGQQDIS-UHFFFAOYSA-N	-1	3	349.868	4.017	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2csc(-c3ccco3)n2)sc2c1CCC2	ZINC000040052324	213255140	/nfs/dbraw/zinc/25/51/40/213255140.db2.gz	SRDCRSFKGGIWEM-UHFFFAOYSA-N	-1	3	341.417	4.077	50	30		EIEAHM
Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc([O-])cc1	ZINC000012406347	211370062	/nfs/dbraw/zinc/37/00/62/211370062.db2.gz	BWMZYJIGHXDPMT-SRHUDTFWSA-N	-1	3	334.419	4.454	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1ccc(Br)cc1F	ZINC000011336168	211212571	/nfs/dbraw/zinc/21/25/71/211212571.db2.gz	HQFGTVXXCPEQDG-POHAHGRESA-N	-1	3	333.156	4.116	50	30		EIEAHM
CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N/c1ccccc1	ZINC000096609673	218885751	/nfs/dbraw/zinc/88/57/51/218885751.db2.gz	DMQLSFBSRBZMDW-RDNNIZOPSA-N	-1	3	344.823	4.279	50	30		EIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1ccccc1OCc1ccccn1	ZINC000096942851	258001714	/nfs/dbraw/zinc/00/17/14/258001714.db2.gz	CCNDXSDEXMAFMP-FOWTUZBSSA-N	-1	3	343.382	4.189	50	30		EIEAHM
O=C1CCCC2=C1C(c1cc(Cl)ccc1[O-])C1=C(CCCC1=O)O2	ZINC000000476891	563334771	/nfs/dbraw/zinc/33/47/71/563334771.db2.gz	VETJPATVBSFJDG-UHFFFAOYSA-N	-1	3	344.794	4.174	50	30		EIEAHM
CCc1n([C@@H](/C(C)=N/[O-])c2ccccc2)c(-c2ccccc2)c(C)[n+]1[O-]	ZINC000005471881	563533968	/nfs/dbraw/zinc/53/39/68/563533968.db2.gz	BQCOZPJAWPMGKK-QCBCRBAMSA-N	-1	3	349.434	4.099	50	30		EIEAHM
COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1[O-]	ZINC000006338067	564001905	/nfs/dbraw/zinc/00/19/05/564001905.db2.gz	KQFFBNPKNSPRSS-BQYQJAHWSA-N	-1	3	333.181	4.059	50	30		EIEAHM
COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2[O-])cc1OC	ZINC000006420354	564085663	/nfs/dbraw/zinc/08/56/63/564085663.db2.gz	FVDXDDFQXPUFJK-NJAVVXAXSA-N	-1	3	342.313	4.215	50	30		EIEAHM
N#Cc1c(Cl)csc1[N-]C(=O)c1cc(F)cc2cccnc21	ZINC000253416472	564130781	/nfs/dbraw/zinc/13/07/81/564130781.db2.gz	FFLQLQZVLVLNMP-UHFFFAOYSA-N	-1	3	331.759	4.213	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C#N	ZINC000002756060	564152410	/nfs/dbraw/zinc/15/24/10/564152410.db2.gz	VZSBCIHLROPCGT-UHFFFAOYSA-N	-1	3	349.799	4.305	50	30		EIEAHM
COc1cc(Cl)cc(C=NN=c2[nH]c3ccccc3s2)c1[O-]	ZINC000004524109	210213919	/nfs/dbraw/zinc/21/39/19/210213919.db2.gz	PMNXKCKPFRNMIO-CAOOACKPSA-N	-1	3	333.800	4.110	50	30		EIEAHM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000100086729	219090757	/nfs/dbraw/zinc/09/07/57/219090757.db2.gz	PEWOESYEGLBLNR-OKTBNZSVSA-N	-1	3	348.258	4.030	50	30		EIEAHM
CC1(C)[C@H]2CC[C@]1(C)C([O-])=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100086729	219090758	/nfs/dbraw/zinc/09/07/58/219090758.db2.gz	PEWOESYEGLBLNR-OKTBNZSVSA-N	-1	3	348.258	4.030	50	30		EIEAHM
C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)C1	ZINC000022625686	212313383	/nfs/dbraw/zinc/31/33/83/212313383.db2.gz	VUSYPEUNWOSRBV-GEYIUBJWSA-N	-1	3	349.430	4.240	50	30	biogenic	EIEAHM
Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCCC3)C2=O)cc1	ZINC000022625610	212313037	/nfs/dbraw/zinc/31/30/37/212313037.db2.gz	LXAWTSYLTKULGA-MOSHPQCFSA-N	-1	3	349.430	4.303	50	30	biogenic	EIEAHM
CCc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC3)C2=O)cc1	ZINC000009053682	211036065	/nfs/dbraw/zinc/03/60/65/211036065.db2.gz	PXUQNOGJMLSIPK-MOSHPQCFSA-N	-1	3	349.430	4.167	50	30		EIEAHM
[O-]c1ccccc1/C=N/c1ccccc1OCC(F)(F)C(F)F	ZINC000000221434	526370139	/nfs/dbraw/zinc/37/01/39/526370139.db2.gz	ONMCFHKBLCRTDY-ZVBGSRNCSA-N	-1	3	327.277	4.422	50	30		EIEAHM
[O-]/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	ZINC000006926351	563591690	/nfs/dbraw/zinc/59/16/90/563591690.db2.gz	IUVVHAPWTZVFRB-CAOOACKPSA-N	-1	3	340.604	4.490	50	30		EIEAHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000016195478	563805587	/nfs/dbraw/zinc/80/55/87/563805587.db2.gz	UDDAHUCFQIMMRT-QGMBQPNBSA-N	-1	3	326.179	4.389	50	30		EIEAHM
O=C1c2ccccc2S/C1=C/c1cc(Br)ccc1[O-]	ZINC000016524250	563814053	/nfs/dbraw/zinc/81/40/53/563814053.db2.gz	KEDNLJYCAVEKIQ-RIYZIHGNSA-N	-1	3	333.206	4.484	50	30		EIEAHM
[O-]c1ccccc1/C=N/c1ccccc1-c1nnc2n1CCCCC2	ZINC000000088249	563976407	/nfs/dbraw/zinc/97/64/07/563976407.db2.gz	VDOOATFLVHFHGU-KGENOOAVSA-N	-1	3	332.407	4.128	50	30		EIEAHM
COc1ccc(-n2cnc3cc(/N=C/c4ccccc4[O-])ccc32)cc1	ZINC000000255279	563989553	/nfs/dbraw/zinc/98/95/53/563989553.db2.gz	ZCEVNBDJZIXNQY-LPYMAVHISA-N	-1	3	343.386	4.490	50	30		EIEAHM
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)ccc1[O-]	ZINC000000289330	563990225	/nfs/dbraw/zinc/99/02/25/563990225.db2.gz	AOIBVXLIRCSRKC-JZOCJUILSA-N	-1	3	326.421	4.209	50	30		EIEAHM
COc1cc(OC)c(/N=C\c2cc(Cl)ccc2[O-])cc1Cl	ZINC000005288578	564002449	/nfs/dbraw/zinc/00/24/49/564002449.db2.gz	XNISEIWKUKATAV-LSCVHKIXSA-N	-1	3	326.179	4.467	50	30		EIEAHM
Cc1nc(-c2cccs2)sc1C(=O)[N-]c1sccc1C#N	ZINC000017344551	564011773	/nfs/dbraw/zinc/01/17/73/564011773.db2.gz	CBGBBPVQJHKFDC-UHFFFAOYSA-N	-1	3	331.447	4.366	50	30		EIEAHM
C[C@H]1CCc2sc([N-]C(=O)c3c(F)cccc3F)c(C#N)c2C1	ZINC000001518407	564075752	/nfs/dbraw/zinc/07/57/52/564075752.db2.gz	PAMMMKKGLCUKDZ-VIFPVBQESA-N	-1	3	332.375	4.275	50	30		EIEAHM
C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc([O-])cc1	ZINC000016711345	564112808	/nfs/dbraw/zinc/11/28/08/564112808.db2.gz	NLYBCYUSGUJYKS-VXPUYCOJSA-N	-1	3	338.432	4.349	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=Nc1cccc2cccnc21	ZINC000254524816	564116701	/nfs/dbraw/zinc/11/67/01/564116701.db2.gz	PRMRIQSTCMMWGE-UHFFFAOYSA-N	-1	3	327.181	4.454	50	30		EIEAHM
CCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1[O-]	ZINC000004599667	210230040	/nfs/dbraw/zinc/23/00/40/210230040.db2.gz	KYDDWVBNORQETE-VCHYOVAHSA-N	-1	3	344.212	4.275	50	30		EIEAHM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000100072063	219089915	/nfs/dbraw/zinc/08/99/15/219089915.db2.gz	PEWOESYEGLBLNR-BUYFANAVSA-N	-1	3	348.258	4.030	50	30		EIEAHM
CC1(C)[C@@H]2CC[C@@]1(C)C([O-])=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100072063	219089916	/nfs/dbraw/zinc/08/99/16/219089916.db2.gz	PEWOESYEGLBLNR-BUYFANAVSA-N	-1	3	348.258	4.030	50	30		EIEAHM
C[C@@H](CNc1ccccc1)NC(=O)c1cc([O-])ccc1C(F)(F)F	ZINC000330032299	258002472	/nfs/dbraw/zinc/00/24/72/258002472.db2.gz	LYFZNNXPZLCIBS-NSHDSACASA-N	-1	3	338.329	4.216	50	30		EIEAHM
COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc1Cl	ZINC000016607386	563817277	/nfs/dbraw/zinc/81/72/77/563817277.db2.gz	DSUCROFAMSDIQZ-PZUDMAOCSA-N	-1	3	341.798	4.090	50	30		EIEAHM
Cc1noc(C)c1C(=O)[N-]c1sc(C)c(-c2ccccc2)c1C#N	ZINC000001055740	564054219	/nfs/dbraw/zinc/05/42/19/564054219.db2.gz	TZPMWECWAREQGV-UHFFFAOYSA-N	-1	3	337.404	4.452	50	30		EIEAHM
C[C@H](C#N)Sc1nnc([N-]c2ccccc2C(F)(F)F)s1	ZINC000007309921	564106678	/nfs/dbraw/zinc/10/66/78/564106678.db2.gz	FTWWBISVJPMVKP-SSDOTTSWSA-N	-1	3	330.360	4.305	50	30		EIEAHM
CCc1c(C)sc([N-]C(=O)c2ccoc2Br)c1C#N	ZINC000225590235	564149821	/nfs/dbraw/zinc/14/98/21/564149821.db2.gz	MTXYGVSTXCTZFO-UHFFFAOYSA-N	-1	3	339.214	4.098	50	30		EIEAHM
N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1c[nH]c2ccccc21	ZINC000039027562	564166349	/nfs/dbraw/zinc/16/63/49/564166349.db2.gz	QTZPHJDSCWANPP-UHFFFAOYSA-N	-1	3	326.359	4.056	50	30		EIEAHM
COc1cc(/N=C/c2c([O-])ccc3ccccc32)cc(OC)c1OC	ZINC000004705089	210255109	/nfs/dbraw/zinc/25/51/09/210255109.db2.gz	FQCSMBQEGMKRMM-CIAFOILYSA-N	-1	3	337.375	4.322	50	30		EIEAHM
[O-]c1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O	ZINC000000046052	209388564	/nfs/dbraw/zinc/38/85/64/209388564.db2.gz	SGQFOMSSXAKSRW-FRKPEAEDSA-N	-1	3	326.577	4.264	50	30		EIEAHM
O=c1[n-]c(Cl)c(C=NN(Cc2ccccc2)c2ccccc2)s1	ZINC000004350381	527440441	/nfs/dbraw/zinc/44/04/41/527440441.db2.gz	UQPMFCXGMKBVPL-YBFXNURJSA-N	-1	3	343.839	4.131	50	30		EIEAHM
CC(=O)Nc1cccc(/N=C/c2cc(Br)cc(C)c2[O-])c1	ZINC000000259732	563989602	/nfs/dbraw/zinc/98/96/02/563989602.db2.gz	UNLHGTOIBLXZJR-GIJQJNRQSA-N	-1	3	347.212	4.172	50	30		EIEAHM
N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cn1	ZINC000161900607	564150671	/nfs/dbraw/zinc/15/06/71/564150671.db2.gz	WPAFSMBQSHMEOG-SNVBAGLBSA-N	-1	3	342.679	4.383	50	30		EIEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(F)ccc3F)sc2C1	ZINC000002751962	564152475	/nfs/dbraw/zinc/15/24/75/564152475.db2.gz	MRCZLWXIXDBWKV-VIFPVBQESA-N	-1	3	332.375	4.275	50	30		EIEAHM
Cc1nc2ccccc2nc1N=NCc1c([O-])ccc2ccccc21	ZINC000004729154	210262316	/nfs/dbraw/zinc/26/23/16/210262316.db2.gz	MVTOSJYVDSSZJB-CIAFOILYSA-N	-1	3	328.375	4.243	50	30		EIEAHM
[O-]/N=C(\c1nc2ccccc2n1Cc1ccccc1)c1ccccc1	ZINC000004632175	210235449	/nfs/dbraw/zinc/23/54/49/210235449.db2.gz	BNYDGFVNSPOUIW-ATJXCDBQSA-N	-1	3	327.387	4.311	50	30		EIEAHM
C=CCc1cccc(C=NNc2ccc(Br)cc2)c1[O-]	ZINC000004017786	210101215	/nfs/dbraw/zinc/10/12/15/210101215.db2.gz	KJFGWHOQFUQINW-WOJGMQOQSA-N	-1	3	331.213	4.329	50	30		EIEAHM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1	ZINC000003908634	210090804	/nfs/dbraw/zinc/09/08/04/210090804.db2.gz	LKSJZZSXJLKEIT-NSHDSACASA-N	-1	3	343.452	4.320	50	30		EIEAHM
C=CCSc1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000007709658	258017986	/nfs/dbraw/zinc/01/79/86/258017986.db2.gz	ZHPVMIHXDHTQAG-WYMLVPIESA-N	-1	3	331.462	4.377	50	30		EIEAHM
CCCCCCCCCC(=O)Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000002273748	258049331	/nfs/dbraw/zinc/04/93/31/258049331.db2.gz	VFBBFPLBXGPIJN-UHFFFAOYSA-N	-1	3	330.428	4.313	50	30		EIEAHM
CCCCCCCCCC(=O)Nc1c([O-])[nH]c2ccccc2c1=O	ZINC000002273748	258049335	/nfs/dbraw/zinc/04/93/35/258049335.db2.gz	VFBBFPLBXGPIJN-UHFFFAOYSA-N	-1	3	330.428	4.313	50	30		EIEAHM
CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1[O-]	ZINC000007742380	262519862	/nfs/dbraw/zinc/51/98/62/262519862.db2.gz	YYBQPRRZDBEOSN-BQYQJAHWSA-N	-1	3	332.783	4.349	50	30		EIEAHM
COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)ccc1[O-]	ZINC000008322775	522048733	/nfs/dbraw/zinc/04/87/33/522048733.db2.gz	HGQHBFXQHXDJGF-ZRDIBKRKSA-N	-1	3	348.402	4.099	50	30		EIEAHM
Cc1cc(C(C#N)=C([O-])c2cccc(Oc3ccccc3)c2)nc(C)n1	ZINC000041574243	525444124	/nfs/dbraw/zinc/44/41/24/525444124.db2.gz	KIVCRUOOHJOXOS-LJQANCHMSA-N	-1	3	343.386	4.376	50	30		EIEAHM
Cc1cc(C(C#N)=C([O-])c2cccc(Oc3ccccc3)c2)nc(C)n1	ZINC000041574244	525501643	/nfs/dbraw/zinc/50/16/43/525501643.db2.gz	KIVCRUOOHJOXOS-IBGZPJMESA-N	-1	3	343.386	4.376	50	30		EIEAHM
Cc1ccc2nsnc2c1/N=C/c1cc(Br)ccc1[O-]	ZINC000003156096	563985363	/nfs/dbraw/zinc/98/53/63/563985363.db2.gz	GZTFCRXJSMXUDT-FRKPEAEDSA-N	-1	3	348.225	4.218	50	30		EIEAHM
N#Cc1c([N-]C(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2	ZINC000000169006	563987509	/nfs/dbraw/zinc/98/75/09/563987509.db2.gz	LJFXIALEZOGVSK-UHFFFAOYSA-N	-1	3	341.392	4.049	50	30		EIEAHM
C=CCN(Cc1cccs1)Cn1nc(-c2ccccc2)[n-]c1=S	ZINC000014245361	564112360	/nfs/dbraw/zinc/11/23/60/564112360.db2.gz	LNJSYJWVLSTJPI-UHFFFAOYSA-N	-1	3	342.493	4.315	50	30		EIEAHM
Cc1ccc(C(=O)Nc2ccccc2C(=N[O-])c2ccccc2)cc1	ZINC000252621791	564122931	/nfs/dbraw/zinc/12/29/31/564122931.db2.gz	NGUNHOGUGUCICB-UHFFFAOYSA-N	-1	3	330.387	4.474	50	30		EIEAHM
Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C	ZINC000000138121	564132888	/nfs/dbraw/zinc/13/28/88/564132888.db2.gz	MRMREMLEAFELJA-UHFFFAOYSA-N	-1	3	335.772	4.051	50	30		EIEAHM
COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)ccc1[O-]	ZINC000096403096	564147159	/nfs/dbraw/zinc/14/71/59/564147159.db2.gz	HGQHBFXQHXDJGF-BENRWUELSA-N	-1	3	348.402	4.099	50	30		EIEAHM
[O-]c1ccc(Br)cc1C=NNc1cccc2cccnc21	ZINC000004738329	210263844	/nfs/dbraw/zinc/26/38/44/210263844.db2.gz	YODBRDORVMQDHR-VXLYETTFSA-N	-1	3	342.196	4.149	50	30		EIEAHM
CCOc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1	ZINC000057411895	214426378	/nfs/dbraw/zinc/42/63/78/214426378.db2.gz	ZINIPUQXDNJDMA-WOJGMQOQSA-N	-1	3	334.213	4.173	50	30		EIEAHM
COc1cc(/N=C/c2cc(Cl)ccc2[O-])c(OC)cc1Cl	ZINC000100037541	219089073	/nfs/dbraw/zinc/08/90/73/219089073.db2.gz	RCQOXPDGDOZNLS-QGMBQPNBSA-N	-1	3	326.179	4.467	50	30		EIEAHM
Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc([O-])cc1	ZINC000013841698	563726013	/nfs/dbraw/zinc/72/60/13/563726013.db2.gz	BTDQWRKOQJWJPO-RELWKKBWSA-N	-1	3	332.403	4.364	50	30		EIEAHM
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cc(Cl)ccc1[O-]	ZINC000033293484	563973125	/nfs/dbraw/zinc/97/31/25/563973125.db2.gz	NQHIVEIJPMHXAF-RIYZIHGNSA-N	-1	3	348.786	4.076	50	30		EIEAHM
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)cc2)c([O-])c1	ZINC000018098944	564018015	/nfs/dbraw/zinc/01/80/15/564018015.db2.gz	NMVGQILMABMRCI-UHFFFAOYSA-N	-1	3	336.391	4.413	50	30		EIEAHM
N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccsc1	ZINC000130462592	564093378	/nfs/dbraw/zinc/09/33/78/564093378.db2.gz	IOKCPDJETRBWPB-LBPRGKRZSA-N	-1	3	339.203	4.016	50	30		EIEAHM
Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1N(C)C	ZINC000252611023	564121805	/nfs/dbraw/zinc/12/18/05/564121805.db2.gz	IGDHYSRUQDVOCH-UHFFFAOYSA-N	-1	3	333.229	4.280	50	30		EIEAHM
O=C1[N-]/C(=N/c2ccccc2)S[C@H]1Cc1cccc2ccccc21	ZINC000002473643	564149723	/nfs/dbraw/zinc/14/97/23/564149723.db2.gz	PZSWLMJYIYWZRQ-SFHVURJKSA-N	-1	3	332.428	4.302	50	30		EIEAHM