smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OC)c1	ZINC000001176631	132240507	/nfs/dbraw/zinc/24/05/07/132240507.db2.gz	JAXCMEZYKRWCHL-JLHYYAGUSA-N	-1	0	416.430	2.683	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC	ZINC000002282392	132251370	/nfs/dbraw/zinc/25/13/70/132251370.db2.gz	YAIOSTLVRVQZIY-XYOKQWHBSA-N	-1	0	400.362	2.518	50	10		HFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)cc2)C1=O	ZINC000005477883	132306215	/nfs/dbraw/zinc/30/62/15/132306215.db2.gz	BVKOTIOMUHZFPA-OBGWFSINSA-N	-1	0	421.453	2.588	50	10		HFCARM
COc1cc(OC)c(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OC)c1	ZINC000012363823	132359031	/nfs/dbraw/zinc/35/90/31/132359031.db2.gz	JAXCMEZYKRWCHL-RAXLEYEMSA-N	-1	0	416.430	2.683	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC	ZINC000013766150	132459331	/nfs/dbraw/zinc/45/93/31/132459331.db2.gz	PEWLIABXGYWUDH-PTNGSMBKSA-N	-1	0	412.467	2.852	50	10		HFCARM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F	ZINC000001114368	557186033	/nfs/dbraw/zinc/18/60/33/557186033.db2.gz	CSTMYZWKNZZLQO-UHFFFAOYSA-N	-1	0	406.211	2.745	50	10		HFCARM
CN1C(=O)/C(=C2\Sc3ccccc3N2CCCS(=O)(=O)[O-])SC1=S	ZINC000034869494	557478618	/nfs/dbraw/zinc/47/86/18/557478618.db2.gz	WFDCJWFAOPTBSO-ACCUITESSA-N	-1	0	402.544	2.536	50	10		HFCARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1	ZINC000005764272	557673574	/nfs/dbraw/zinc/67/35/74/557673574.db2.gz	DTNKQBOAIYFLCU-SNVBAGLBSA-N	-1	0	407.517	2.731	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000013546446	558537935	/nfs/dbraw/zinc/53/79/35/558537935.db2.gz	SGBKBSWEXSPVOO-WQLSENKSSA-N	-1	0	400.362	2.518	50	10		HFCARM
C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000013572788	558542668	/nfs/dbraw/zinc/54/26/68/558542668.db2.gz	DMQCJSQWRZRAFU-MBBDXHFBSA-N	-1	0	418.452	2.912	50	10		HFCARM
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2[O-])NC(=S)N1	ZINC000035352871	558790266	/nfs/dbraw/zinc/79/02/66/558790266.db2.gz	GTWOYUOZWVRTRY-HNNXBMFYSA-N	-1	0	402.407	2.871	50	10		HFCARM
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2[O-])NC(=S)N1	ZINC000035352872	558790335	/nfs/dbraw/zinc/79/03/35/558790335.db2.gz	GTWOYUOZWVRTRY-OAHLLOKOSA-N	-1	0	402.407	2.871	50	10		HFCARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000017092269	558820675	/nfs/dbraw/zinc/82/06/75/558820675.db2.gz	IQYRLPVYKGDYFT-UHFFFAOYSA-N	-1	0	420.516	2.639	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1	ZINC000004670444	558880919	/nfs/dbraw/zinc/88/09/19/558880919.db2.gz	QEJPFTZXCJHTRB-UHFFFAOYSA-N	-1	0	416.817	2.556	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004473837	559286666	/nfs/dbraw/zinc/28/66/66/559286666.db2.gz	GQJIQJHIDPBCAW-PTNGSMBKSA-N	-1	0	417.874	2.601	50	10		HFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000005489678	560597941	/nfs/dbraw/zinc/59/79/41/560597941.db2.gz	ZYXIUTUJWVOSDH-GZTJUZNOSA-N	-1	0	411.389	2.577	50	10		HFCARM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1ccc(Cl)c(Cl)c1	ZINC000001216116	560727821	/nfs/dbraw/zinc/72/78/21/560727821.db2.gz	HYIOKFIYPXHLBX-UHFFFAOYSA-N	-1	0	405.193	2.962	50	10		HFCARM
COc1ccc(-c2cn[n-]c(=NNC=C3C(C)=NN(c4ccccc4)C3=O)n2)cc1	ZINC000100827271	560759318	/nfs/dbraw/zinc/75/93/18/560759318.db2.gz	IPEIRWPDBLCTFE-LDADJPATSA-N	-1	0	401.430	2.770	50	10		HFCARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000015745958	560856173	/nfs/dbraw/zinc/85/61/73/560856173.db2.gz	PUGBBKUWCTZSLH-XDHOZWIPSA-N	-1	0	422.437	2.912	50	10		HFCARM
COc1ccc(/C=C2/SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc1	ZINC000001300997	568913189	/nfs/dbraw/zinc/91/31/89/568913189.db2.gz	WRQYXTIQBPXCMO-RVDMUPIBSA-N	-1	0	406.510	2.790	50	10		HFCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000015799736	569009949	/nfs/dbraw/zinc/00/99/49/569009949.db2.gz	PQUWTLKTCRGHCP-UKTHLTGXSA-N	-1	0	404.220	2.775	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000010434578	571302707	/nfs/dbraw/zinc/30/27/07/571302707.db2.gz	KBSAJKJWCIAYFW-NTEUORMPSA-N	-1	0	418.452	2.913	50	10		HFCARM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000001225728	132242964	/nfs/dbraw/zinc/24/29/64/132242964.db2.gz	ZTBTXLPQCKZTNP-WJDWOHSUSA-N	-1	0	424.409	2.634	50	10		HFCARM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(F)c3)C1=O)OCO2	ZINC000004723775	132286001	/nfs/dbraw/zinc/28/60/01/132286001.db2.gz	OUTKOYRAPBJKDY-MKMNVTDBSA-N	-1	0	414.414	2.784	50	10		HFCARM
Cc1ccccc1N1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000005887495	132308292	/nfs/dbraw/zinc/30/82/92/132308292.db2.gz	PYHULTIKUGWDSF-LGMDPLHJSA-N	-1	0	404.495	2.940	50	10		HFCARM
Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000006257456	132309999	/nfs/dbraw/zinc/30/99/99/132309999.db2.gz	VRTOGCSUESNVFK-NTEUORMPSA-N	-1	0	401.220	2.610	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(Br)cc1O	ZINC000013915199	132459705	/nfs/dbraw/zinc/45/97/05/132459705.db2.gz	GZBDRMZLZSGDTO-KPKJPENVSA-N	-1	0	417.215	2.830	50	10		HFCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(C)c3OC)C(=O)[N-]C2=S)cc1	ZINC000004738868	536659623	/nfs/dbraw/zinc/65/96/23/536659623.db2.gz	IQCALJMDBZJGBE-WJDWOHSUSA-N	-1	0	412.467	2.852	50	10		HFCARM
COc1cc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)[O-])cc(OC)c1OC	ZINC000001198934	557238543	/nfs/dbraw/zinc/23/85/43/557238543.db2.gz	DHOVTRLHBPIYBR-MHWRWJLKSA-N	-1	0	400.431	2.634	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C2=O)cc1	ZINC000019825222	558291024	/nfs/dbraw/zinc/29/10/24/558291024.db2.gz	JWHXOZBLEATNKB-JXAWBTAJSA-N	-1	0	424.457	2.937	50	10		HFCARM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000015724078	558750130	/nfs/dbraw/zinc/75/01/30/558750130.db2.gz	ZRKRVAQCQVOWOS-ZROIWOOFSA-N	-1	0	408.170	2.892	50	10		HFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000096265422	568713949	/nfs/dbraw/zinc/71/39/49/568713949.db2.gz	HHNTYTKYFQFYRK-WJDWOHSUSA-N	-1	0	413.430	2.746	50	10		HFCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1	ZINC000001202304	568823779	/nfs/dbraw/zinc/82/37/79/568823779.db2.gz	WFXMHYCAUDKWHS-OQLLNIDSSA-N	-1	0	402.248	2.948	50	10		HFCARM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)ccc1O	ZINC000001839985	569056438	/nfs/dbraw/zinc/05/64/38/569056438.db2.gz	OOTQBUQCPFRHKL-QPEQYQDCSA-N	-1	0	420.493	2.992	50	10		HFCARM
O=C1/C(=C\c2ccccc2Br)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000002823907	569278070	/nfs/dbraw/zinc/27/80/70/569278070.db2.gz	FSQQZRMAONZUIA-JXMROGBWSA-N	-1	0	408.320	2.538	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000001185090	132241021	/nfs/dbraw/zinc/24/10/21/132241021.db2.gz	NGGNTIJZPBOABX-MDWZMJQESA-N	-1	0	405.179	2.960	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1O	ZINC000001192385	132241248	/nfs/dbraw/zinc/24/12/48/132241248.db2.gz	IXSUIDZQUANVOC-KPKJPENVSA-N	-1	0	417.215	2.830	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(I)o1	ZINC000001195113	132241499	/nfs/dbraw/zinc/24/14/99/132241499.db2.gz	JLNSQYPRELVKLB-DHZHZOJOSA-N	-1	0	424.219	2.716	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000001208181	132242546	/nfs/dbraw/zinc/24/25/46/132242546.db2.gz	ZRLMZKFWWJBEPH-NTEUORMPSA-N	-1	0	403.257	2.986	50	10		HFCARM
COC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000002216179	132249656	/nfs/dbraw/zinc/24/96/56/132249656.db2.gz	YHSGQKJFCYYNBP-RQZCQDPDSA-N	-1	0	421.384	2.824	50	10		HFCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O	ZINC000005024036	132298473	/nfs/dbraw/zinc/29/84/73/132298473.db2.gz	AONZAHHQJVZRNA-PTNGSMBKSA-N	-1	0	408.414	2.890	50	10		HFCARM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000008739409	132332837	/nfs/dbraw/zinc/33/28/37/132332837.db2.gz	MXKVLMQFCUJSOK-XNTDXEJSSA-N	-1	0	410.382	2.754	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNNC(=S)Nc1ccccc1	ZINC000009089737	132335708	/nfs/dbraw/zinc/33/57/08/132335708.db2.gz	APYXCKAPBHVSQM-ZRDIBKRKSA-N	-1	0	415.862	2.502	50	10		HFCARM
CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N(C)C1=S	ZINC000001172925	557225156	/nfs/dbraw/zinc/22/51/56/557225156.db2.gz	FYANRCGIYYJLTE-UHFFFAOYSA-N	-1	0	404.831	2.897	50	10		HFCARM
COCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O	ZINC000002863072	557410902	/nfs/dbraw/zinc/41/09/02/557410902.db2.gz	PBKPMZXQLQVHLA-UHFFFAOYSA-N	-1	0	402.790	2.533	50	10		HFCARM
CN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O	ZINC000004700955	557583549	/nfs/dbraw/zinc/58/35/49/557583549.db2.gz	IEWLIQMWXBJKHD-UHFFFAOYSA-N	-1	0	403.188	2.625	50	10		HFCARM
COc1cc(Br)c(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)c1O	ZINC000006904335	557729486	/nfs/dbraw/zinc/72/94/86/557729486.db2.gz	XGIGZCQQUBKGIY-UHFFFAOYSA-N	-1	0	420.013	2.516	50	10		HFCARM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1	ZINC000023398310	558556702	/nfs/dbraw/zinc/55/67/02/558556702.db2.gz	GBEIYONGZNYCTR-UHFFFAOYSA-N	-1	0	410.395	2.758	50	10		HFCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1O	ZINC000013895253	558600246	/nfs/dbraw/zinc/60/02/46/558600246.db2.gz	JQGUSWVVXRMHND-UKTHLTGXSA-N	-1	0	417.215	2.830	50	10		HFCARM
CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1	ZINC000060257791	558941902	/nfs/dbraw/zinc/94/19/02/558941902.db2.gz	DHRRDDLXFFPRMV-AMGRQBIBSA-N	-1	0	406.376	2.522	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000001177651	560727641	/nfs/dbraw/zinc/72/76/41/560727641.db2.gz	BHIQDXPKCGIDPC-UHFFFAOYSA-N	-1	0	404.781	2.816	50	10		HFCARM
O=C(/C=C/c1ccccc1)[N-]S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000000866368	568723675	/nfs/dbraw/zinc/72/36/75/568723675.db2.gz	LGIONAJEZPTRAC-VFXJDIRKSA-N	-1	0	400.460	2.536	50	10		HFCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1	ZINC000001182789	568822243	/nfs/dbraw/zinc/82/22/43/568822243.db2.gz	MJXBOQWHDULJEU-YBFXNURJSA-N	-1	0	414.421	2.814	50	10		HFCARM
Nc1c(S(=O)(=O)[O-])cc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O	ZINC000015936172	569023356	/nfs/dbraw/zinc/02/33/56/569023356.db2.gz	ZKAPJYWTWQPVRO-UHFFFAOYSA-N	-1	0	422.418	2.543	50	10		HFCARM
O=C(c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(F)(F)F)c[nH]1)N1CCCC1	ZINC000170617699	569247823	/nfs/dbraw/zinc/24/78/23/569247823.db2.gz	AOUONPYZMZSZBD-UHFFFAOYSA-N	-1	0	419.381	2.656	50	10		HFCARM
COc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1	ZINC000002892750	132259267	/nfs/dbraw/zinc/25/92/67/132259267.db2.gz	KNQBDCGYSLDDFX-YBEGLDIGSA-N	-1	0	401.806	2.936	50	10		HFCARM
COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000009339721	132338777	/nfs/dbraw/zinc/33/87/77/132338777.db2.gz	VFSKBBQDVLNLIG-JLHYYAGUSA-N	-1	0	423.425	2.925	50	10		HFCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1O	ZINC000000852845	527056140	/nfs/dbraw/zinc/05/61/40/527056140.db2.gz	ARFAMIINIAMWIC-MDWZMJQESA-N	-1	0	403.257	2.986	50	10		HFCARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000001214009	535689775	/nfs/dbraw/zinc/68/97/75/535689775.db2.gz	DJZLDKLLKKXKPX-LDADJPATSA-N	-1	0	408.410	2.603	50	10		HFCARM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000004704459	557584542	/nfs/dbraw/zinc/58/45/42/557584542.db2.gz	MWQAKTMFZOWULE-UHFFFAOYSA-N	-1	0	415.833	2.880	50	10		HFCARM
CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)N(C)C1=S	ZINC000004723877	557586840	/nfs/dbraw/zinc/58/68/40/557586840.db2.gz	AAJQQEIMBUJEOR-UHFFFAOYSA-N	-1	0	410.451	2.563	50	10		HFCARM
CCn1cc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cn1	ZINC000017092266	558820663	/nfs/dbraw/zinc/82/06/63/558820663.db2.gz	KHJJTHCOTDECSN-UHFFFAOYSA-N	-1	0	420.516	2.813	50	10		HFCARM
O=C(c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)N1CCCCC1	ZINC000097944366	559124619	/nfs/dbraw/zinc/12/46/19/559124619.db2.gz	MTALYJHCNPZDMJ-CYVLTUHYSA-N	-1	0	418.453	2.892	50	10		HFCARM
COC(=O)c1c2c(sc1NC(=O)Cc1sc(N)nc1O)C[C@H](C(C)(C)C)CC2	ZINC000008693856	560733693	/nfs/dbraw/zinc/73/36/93/560733693.db2.gz	NBJBGYVZDDHBBX-SKDRFNHKSA-N	-1	0	423.560	2.971	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000000859971	568713404	/nfs/dbraw/zinc/71/34/04/568713404.db2.gz	HQHKDMJTGXBADS-AWNIVKPZSA-N	-1	0	403.778	2.727	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)cc1	ZINC000036359015	569150400	/nfs/dbraw/zinc/15/04/00/569150400.db2.gz	KVTUBALDTLRWCK-JOCHJYFZSA-N	-1	0	423.469	2.682	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000009253510	571242887	/nfs/dbraw/zinc/24/28/87/571242887.db2.gz	XHZNMSCTPBYCRY-NTUHNPAUSA-N	-1	0	420.493	2.992	50	10		HFCARM
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000009310301	571247155	/nfs/dbraw/zinc/24/71/55/571247155.db2.gz	OVOFRFALMAJGSL-BJMVGYQFSA-N	-1	0	418.290	2.752	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000009332709	571248737	/nfs/dbraw/zinc/24/87/37/571248737.db2.gz	MRMFZUZPRAVBPH-OVCLIPMQSA-N	-1	0	414.389	2.514	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000009429736	571258147	/nfs/dbraw/zinc/25/81/47/571258147.db2.gz	GEAHNZQFDYTOAS-NVNXTCNLSA-N	-1	0	414.464	2.930	50	10		HFCARM
O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000096792796	132227431	/nfs/dbraw/zinc/22/74/31/132227431.db2.gz	VZWVGNYJLLDPIS-SSZFMOIBSA-N	-1	0	403.438	2.876	50	10		HFCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000004703681	132284077	/nfs/dbraw/zinc/28/40/77/132284077.db2.gz	ZNJDPHZUBMMLDE-XFFZJAGNSA-N	-1	0	406.148	2.617	50	10		HFCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000008742774	132333030	/nfs/dbraw/zinc/33/30/30/132333030.db2.gz	GLNWIFZCBLVKNI-JLHYYAGUSA-N	-1	0	407.357	2.964	50	10		HFCARM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1cccc(I)c1	ZINC000001164771	557219991	/nfs/dbraw/zinc/21/99/91/557219991.db2.gz	IQBDEQCLKVOAGP-VGOFMYFVSA-N	-1	0	407.211	2.879	50	10		HFCARM
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O	ZINC000013726739	558584528	/nfs/dbraw/zinc/58/45/28/558584528.db2.gz	JSWRGDYKFSYJND-KPKJPENVSA-N	-1	0	408.432	2.770	50	10		HFCARM
COC(=O)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000016194145	558777590	/nfs/dbraw/zinc/77/75/90/558777590.db2.gz	JKOQNVKQQYYFCB-GDNBJRDFSA-N	-1	0	400.843	2.958	50	10		HFCARM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000072311827	558795756	/nfs/dbraw/zinc/79/57/56/558795756.db2.gz	YRNVCKWZCDARFR-UHFFFAOYSA-N	-1	0	410.449	2.826	50	10		HFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O	ZINC000017138548	558823782	/nfs/dbraw/zinc/82/37/82/558823782.db2.gz	LKYWOZTVBAYSQX-QBFSEMIESA-N	-1	0	412.398	2.592	50	10		HFCARM
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(O)c3)C2=O)cc1OC	ZINC000004690138	558899741	/nfs/dbraw/zinc/89/97/41/558899741.db2.gz	CURYENUZLBGLCE-BOPFTXTBSA-N	-1	0	410.426	2.852	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-]	ZINC000000713029	568465475	/nfs/dbraw/zinc/46/54/75/568465475.db2.gz	DLJOZXDQVVNKRO-FLIBITNWSA-N	-1	0	401.762	2.923	50	10		HFCARM
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@H+](C)CC(=O)[O-])c2=O)cc1	ZINC000094993363	568593947	/nfs/dbraw/zinc/59/39/47/568593947.db2.gz	LYJBIZZLKLASLG-UHFFFAOYSA-N	-1	0	413.382	2.594	50	10		HFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@@H](C)c3ccccc3)C2=O)cc1OC	ZINC000095483893	568635008	/nfs/dbraw/zinc/63/50/08/568635008.db2.gz	IKEIJVHFXZTZRT-JZBMNUFDSA-N	-1	0	423.469	2.559	50	10		HFCARM
COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c1C	ZINC000096258759	568712957	/nfs/dbraw/zinc/71/29/57/568712957.db2.gz	GBQSJWBYJRRYGI-LDADJPATSA-N	-1	0	413.499	2.591	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000001206674	132242376	/nfs/dbraw/zinc/24/23/76/132242376.db2.gz	GQCZPONYLGUDHZ-QGOAFFKASA-N	-1	0	411.845	2.843	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000004703332	132283864	/nfs/dbraw/zinc/28/38/64/132283864.db2.gz	OGOYKBIANQQJTM-XFFZJAGNSA-N	-1	0	406.148	2.617	50	10		HFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000004859893	132290719	/nfs/dbraw/zinc/29/07/19/132290719.db2.gz	HVBWMXJFAXKJGL-JVVDOCDTSA-N	-1	0	408.410	2.822	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cn2cncn2)cc1	ZINC000009344281	132338956	/nfs/dbraw/zinc/33/89/56/132338956.db2.gz	QCOVGHWUXSLCFL-MFOYZWKCSA-N	-1	0	422.832	2.559	50	10		HFCARM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1	ZINC000013800836	132459441	/nfs/dbraw/zinc/45/94/41/132459441.db2.gz	ZIVBNCJCNHPYGQ-XNTDXEJSSA-N	-1	0	400.362	2.518	50	10		HFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1O	ZINC000012285277	536598153	/nfs/dbraw/zinc/59/81/53/536598153.db2.gz	FETIYUPFNCDKFC-MDWZMJQESA-N	-1	0	417.215	2.830	50	10		HFCARM
CCOc1ccc(N2C(=O)C(=CNc3ccc(NC(C)=O)cc3)C(=O)[N-]C2=S)cc1	ZINC000013785818	558593096	/nfs/dbraw/zinc/59/30/96/558593096.db2.gz	LAJBCWWBHBMDDX-LDADJPATSA-N	-1	0	424.482	2.787	50	10		HFCARM
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc2c(cc1Br)OCCO2	ZINC000060837992	559077256	/nfs/dbraw/zinc/07/72/56/559077256.db2.gz	JJMDRTFLGHOHHJ-UHFFFAOYSA-N	-1	0	414.233	2.750	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000001177683	560727614	/nfs/dbraw/zinc/72/76/14/560727614.db2.gz	VSJKFFCLZXCQNU-UHFFFAOYSA-N	-1	0	419.206	2.917	50	10		HFCARM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000102880059	560833660	/nfs/dbraw/zinc/83/36/60/560833660.db2.gz	GOHAMUZALINQJA-LFIBNONCSA-N	-1	0	412.833	2.621	50	10		HFCARM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000210983245	568750107	/nfs/dbraw/zinc/75/01/07/568750107.db2.gz	FWXXTUBQVSPCRV-UYRXBGFRSA-N	-1	0	413.499	2.788	50	10		HFCARM
COc1ccc(N2C(=O)C(=CNCCc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000003771426	568868240	/nfs/dbraw/zinc/86/82/40/568868240.db2.gz	XFNSAYZGAWAJIA-AQTBWJFISA-N	-1	0	420.494	2.640	50	10		HFCARM
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000005120019	568935305	/nfs/dbraw/zinc/93/53/05/568935305.db2.gz	IHKLTCCQDHGJHL-UHFFFAOYSA-N	-1	0	415.833	2.880	50	10		HFCARM
NC(=O)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000001749884	569051861	/nfs/dbraw/zinc/05/18/61/569051861.db2.gz	LPUOPFKTYFMCIZ-VCJKKXKTSA-N	-1	0	405.284	2.523	50	10		HFCARM
COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc(Br)c1O	ZINC000013387816	569413250	/nfs/dbraw/zinc/41/32/50/569413250.db2.gz	GATBBAAADRMXBC-XREMMQICSA-N	-1	0	418.290	2.838	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1c(C)cccc1C	ZINC000009144623	571230017	/nfs/dbraw/zinc/23/00/17/571230017.db2.gz	OXCMEZSQPOMXMP-UHFFFAOYSA-N	-1	0	424.453	2.909	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OC)c1OC	ZINC000001184329	132241054	/nfs/dbraw/zinc/24/10/54/132241054.db2.gz	UQTZQPITSMNIEQ-BENRWUELSA-N	-1	0	416.430	2.683	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000001206153	132242395	/nfs/dbraw/zinc/24/23/95/132242395.db2.gz	OKROLDLJZMWPIE-NTUHNPAUSA-N	-1	0	415.199	2.844	50	10		HFCARM
O=C(c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)N1CCCCC1	ZINC000006112377	132309255	/nfs/dbraw/zinc/30/92/55/132309255.db2.gz	MTALYJHCNPZDMJ-XDJHFCHBSA-N	-1	0	418.453	2.892	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1I	ZINC000009892558	132343958	/nfs/dbraw/zinc/34/39/58/132343958.db2.gz	AMRXBWWQWDKVLE-RAXLEYEMSA-N	-1	0	418.190	2.958	50	10		HFCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1noc(-c2ccccc2)n1	ZINC000020592299	527048896	/nfs/dbraw/zinc/04/88/96/527048896.db2.gz	WDRMUJOIMZVCLC-XNTDXEJSSA-N	-1	0	423.816	2.647	50	10		HFCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000000852843	527055365	/nfs/dbraw/zinc/05/53/65/527055365.db2.gz	PQBBXXONIWEJMM-RIYZIHGNSA-N	-1	0	403.257	2.986	50	10		HFCARM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C1=O)OCO2	ZINC000004690021	536889168	/nfs/dbraw/zinc/88/91/68/536889168.db2.gz	PHOAIGYQPSUYQA-VGOFMYFVSA-N	-1	0	410.451	2.872	50	10		HFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1	ZINC000016212251	558778592	/nfs/dbraw/zinc/77/85/92/558778592.db2.gz	NABMXGBJXKHHPX-AQTBWJFISA-N	-1	0	423.425	2.841	50	10		HFCARM
CCN1C(=O)/C(=C2\Sc3ccccc3N2CCCS(=O)(=O)[O-])SC1=S	ZINC000018024938	558829801	/nfs/dbraw/zinc/82/98/01/558829801.db2.gz	ZHNBFYMZDUSWSL-WYMLVPIESA-N	-1	0	416.571	2.926	50	10		HFCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1	ZINC000005042556	559235959	/nfs/dbraw/zinc/23/59/59/559235959.db2.gz	GPXWZDKQFVGHCG-WQRHYEAKSA-N	-1	0	413.389	2.600	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000220961569	568509193	/nfs/dbraw/zinc/50/91/93/568509193.db2.gz	JGWXXGJQKWZOBM-GHRIWEEISA-N	-1	0	406.398	2.861	50	10		HFCARM
COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCC(=O)[O-]	ZINC000223208211	568541080	/nfs/dbraw/zinc/54/10/80/568541080.db2.gz	VYKHXNBLTLHVSM-PXNMLYILSA-N	-1	0	416.480	2.955	50	10		HFCARM
O=C(CS(=O)(=O)[O-])Nc1c(Cl)cc(Cl)c2c1C(=O)c1ccccc1C2=O	ZINC000025560049	571315546	/nfs/dbraw/zinc/31/55/46/571315546.db2.gz	OVMHWOBEXAIUFJ-UHFFFAOYSA-N	-1	0	414.222	2.595	50	10		HFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O	ZINC000006784211	132316289	/nfs/dbraw/zinc/31/62/89/132316289.db2.gz	KCPNXQPJEDFXCO-FOWTUZBSSA-N	-1	0	408.414	2.623	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000009329414	132338671	/nfs/dbraw/zinc/33/86/71/132338671.db2.gz	WHCZYUDKGUGBRG-RIYZIHGNSA-N	-1	0	400.362	2.518	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1	ZINC000012659797	132365863	/nfs/dbraw/zinc/36/58/63/132365863.db2.gz	HGRYZDAVDKAXEH-GDLUXTLDSA-N	-1	0	405.458	2.589	50	10	biogenic	HFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1OC	ZINC000001154559	536597544	/nfs/dbraw/zinc/59/75/44/536597544.db2.gz	HBSUJUOUFFDRKA-LFIBNONCSA-N	-1	0	410.426	2.996	50	10		HFCARM
CN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Br	ZINC000001063117	557165026	/nfs/dbraw/zinc/16/50/26/557165026.db2.gz	BVZYEVLCTAOWRA-IZZDOVSWSA-N	-1	0	401.307	2.801	50	10		HFCARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCC3)cc1	ZINC000005852198	557677503	/nfs/dbraw/zinc/67/75/03/557677503.db2.gz	PYLRETOMBMFRRQ-UHFFFAOYSA-N	-1	0	407.517	2.875	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(OC)c1O	ZINC000059475172	558936825	/nfs/dbraw/zinc/93/68/25/558936825.db2.gz	ICYLMWQHYVXUQC-NTUHNPAUSA-N	-1	0	419.231	2.633	50	10		HFCARM
O=C1N=C([N-]S(=O)(=O)Cc2ccccc2)S/C1=C/c1ccc2c(c1)OCO2	ZINC000005684260	560781414	/nfs/dbraw/zinc/78/14/14/560781414.db2.gz	ZVRKOQNRSHPHLI-CXUHLZMHSA-N	-1	0	402.453	2.505	50	10		HFCARM
Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-]	ZINC000012521005	568841508	/nfs/dbraw/zinc/84/15/08/568841508.db2.gz	PLTFAICWTKYQJT-VIFPVBQESA-N	-1	0	409.489	2.989	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)cc1	ZINC000036365647	569152305	/nfs/dbraw/zinc/15/23/05/569152305.db2.gz	KYHXIQSOKAVRCI-NRFANRHFSA-N	-1	0	423.469	2.833	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1O	ZINC000000706670	132231273	/nfs/dbraw/zinc/23/12/73/132231273.db2.gz	AAQODDFPUDPRRB-UKTHLTGXSA-N	-1	0	403.257	2.986	50	10		HFCARM
COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1C	ZINC000002385851	132253855	/nfs/dbraw/zinc/25/38/55/132253855.db2.gz	FGIXDPDMWOAIOZ-GZTJUZNOSA-N	-1	0	401.463	2.722	50	10		HFCARM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000004819261	132289362	/nfs/dbraw/zinc/28/93/62/132289362.db2.gz	ROSWRMYRDPFTOL-CPNJWEJPSA-N	-1	0	421.453	2.507	50	10		HFCARM
C[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000013574491	558543018	/nfs/dbraw/zinc/54/30/18/558543018.db2.gz	RPKPCZUDZKOHDP-JNNKLVPLSA-N	-1	0	418.452	2.912	50	10		HFCARM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2	ZINC000015013151	558700966	/nfs/dbraw/zinc/70/09/66/558700966.db2.gz	CKCGGZVTBIZRQR-VIZOYTHASA-N	-1	0	410.451	2.872	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccc(C)cc1C	ZINC000015800472	558992981	/nfs/dbraw/zinc/99/29/81/558992981.db2.gz	AKZJJSSMFOLFGK-UHFFFAOYSA-N	-1	0	424.453	2.909	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1cc(C)ccc1C	ZINC000002977189	568832542	/nfs/dbraw/zinc/83/25/42/568832542.db2.gz	TXTMMYLGMSKCJT-UHFFFAOYSA-N	-1	0	424.453	2.909	50	10		HFCARM
Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-]	ZINC000012521004	568841466	/nfs/dbraw/zinc/84/14/66/568841466.db2.gz	PLTFAICWTKYQJT-SECBINFHSA-N	-1	0	409.489	2.989	50	10		HFCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)C1=O	ZINC000008821625	571121560	/nfs/dbraw/zinc/12/15/60/571121560.db2.gz	PSDUGQCADSLGSD-YCPJBFQXSA-N	-1	0	418.496	2.650	50	10		HFCARM
COc1ccc(-c2nnc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)s2)cc1	ZINC000002747669	132257557	/nfs/dbraw/zinc/25/75/57/132257557.db2.gz	JZOXFOCJOUSTHT-PTNGSMBKSA-N	-1	0	421.438	2.793	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1O	ZINC000004743341	132287089	/nfs/dbraw/zinc/28/70/89/132287089.db2.gz	GBIKOYXLYPKCOJ-LCYFTJDESA-N	-1	0	403.257	2.986	50	10		HFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1	ZINC000008919171	132334205	/nfs/dbraw/zinc/33/42/05/132334205.db2.gz	XYHFPHPBHDRPSH-FLIBITNWSA-N	-1	0	403.372	2.544	50	10		HFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-]	ZINC000012371408	536597934	/nfs/dbraw/zinc/59/79/34/536597934.db2.gz	DLJOZXDQVVNKRO-DHZHZOJOSA-N	-1	0	401.762	2.923	50	10		HFCARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000001269246	557253330	/nfs/dbraw/zinc/25/33/30/557253330.db2.gz	DILJESRXXYXHSN-DQHOPXMZSA-N	-1	0	410.476	2.906	50	10		HFCARM
CN1c2ccccc2/C(=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)C1=O	ZINC000001788192	557288141	/nfs/dbraw/zinc/28/81/41/557288141.db2.gz	ZACNBIUZPVXNBM-DZHJMQLISA-N	-1	0	424.503	2.930	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=S	ZINC000003108168	557447467	/nfs/dbraw/zinc/44/74/67/557447467.db2.gz	PSXXTZOZVKBFHS-RUDMXATFSA-N	-1	0	403.235	2.643	50	10		HFCARM
CCCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)[O-])cc2C1=O	ZINC000004825382	557603593	/nfs/dbraw/zinc/60/35/93/557603593.db2.gz	YFMDSUIXOGSLQB-UHFFFAOYSA-N	-1	0	412.398	2.660	50	10		HFCARM
O=C1/C(=C/c2ccccc2Br)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000002823908	557766870	/nfs/dbraw/zinc/76/68/70/557766870.db2.gz	FSQQZRMAONZUIA-YFHOEESVSA-N	-1	0	408.320	2.538	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccccc1C	ZINC000002919627	557769801	/nfs/dbraw/zinc/76/98/01/557769801.db2.gz	PLFZLNKSWFXXBC-UHFFFAOYSA-N	-1	0	410.426	2.601	50	10		HFCARM
Cc1cc(=O)c(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])nn1-c1ccccc1Cl	ZINC000034892055	558786846	/nfs/dbraw/zinc/78/68/46/558786846.db2.gz	IRPKCWDZHXPIQN-UHFFFAOYSA-N	-1	0	414.805	2.738	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000103660345	560843701	/nfs/dbraw/zinc/84/37/01/560843701.db2.gz	BPNYVXALCHOLBM-RGEXLXHISA-N	-1	0	418.453	2.866	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cn3)C2=O)cc1	ZINC000108677819	568419168	/nfs/dbraw/zinc/41/91/68/568419168.db2.gz	FVAMPZDDQUTXLE-UKTHLTGXSA-N	-1	0	401.220	2.731	50	10		HFCARM
Cn1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	ZINC000096114203	568694020	/nfs/dbraw/zinc/69/40/20/568694020.db2.gz	KYQONERFOFEQNT-NSHDSACASA-N	-1	0	420.377	2.751	50	10	biogenic	HFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(I)cc2)SC1=S	ZINC000001601288	569031012	/nfs/dbraw/zinc/03/10/12/569031012.db2.gz	VBSYRXOFQDFCKF-WEVVVXLNSA-N	-1	0	405.238	2.577	50	10		HFCARM
NC(=O)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000001749880	569051893	/nfs/dbraw/zinc/05/18/93/569051893.db2.gz	LPUOPFKTYFMCIZ-UPELFTJXSA-N	-1	0	405.284	2.523	50	10		HFCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OC(=O)c1ccco1	ZINC000009296617	571246004	/nfs/dbraw/zinc/24/60/04/571246004.db2.gz	OEVSYBVLOAMVAM-RIYZIHGNSA-N	-1	0	419.436	2.793	50	10		HFCARM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)C(=O)[N-]C2=S)c1	ZINC000001203287	132242126	/nfs/dbraw/zinc/24/21/26/132242126.db2.gz	XYOVZPBSAMBUEV-LICLKQGHSA-N	-1	0	412.467	2.934	50	10		HFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1	ZINC000002892770	132259226	/nfs/dbraw/zinc/25/92/26/132259226.db2.gz	MKTQURYAAZWQNU-PTNGSMBKSA-N	-1	0	415.833	2.614	50	10		HFCARM
Cc1ccc(N2C(=O)C(=CNCCc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000005807363	132307990	/nfs/dbraw/zinc/30/79/90/132307990.db2.gz	COTCBSDVDYMGMY-AQTBWJFISA-N	-1	0	404.495	2.940	50	10		HFCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCC[C@@H]2c2cccnc2)C1=O	ZINC000008968953	132334182	/nfs/dbraw/zinc/33/41/82/132334182.db2.gz	CIYJBNZKEXNPPH-DQSGYLJSSA-N	-1	0	405.458	2.793	50	10		HFCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000001197274	557238238	/nfs/dbraw/zinc/23/82/38/557238238.db2.gz	MPHMBEGXLWUZHD-MKMNVTDBSA-N	-1	0	414.801	2.739	50	10		HFCARM
CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=S	ZINC000004723857	557586889	/nfs/dbraw/zinc/58/68/89/557586889.db2.gz	YBLRXXRZNAPCRI-UHFFFAOYSA-N	-1	0	410.451	2.563	50	10		HFCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1O	ZINC000002700448	557741692	/nfs/dbraw/zinc/74/16/92/557741692.db2.gz	XMCMXKHHENQFKE-ZROIWOOFSA-N	-1	0	418.452	2.913	50	10		HFCARM
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000013897746	558600687	/nfs/dbraw/zinc/60/06/87/558600687.db2.gz	OVOFRFALMAJGSL-YHYXMXQVSA-N	-1	0	418.290	2.752	50	10		HFCARM
O=C([O-])[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000028296918	558698981	/nfs/dbraw/zinc/69/89/81/558698981.db2.gz	KDOUGVDOVGCWOA-UQRISPGASA-N	-1	0	408.501	2.727	50	10		HFCARM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccnc2)C1=O	ZINC000004739758	559043221	/nfs/dbraw/zinc/04/32/21/559043221.db2.gz	QXRVPCVNVFHDBR-LDADJPATSA-N	-1	0	406.442	2.747	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N1	ZINC000001193684	560727767	/nfs/dbraw/zinc/72/77/67/560727767.db2.gz	HDXQHXYPYPHLKH-UHFFFAOYSA-N	-1	0	419.206	2.917	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1	ZINC000001063116	568766504	/nfs/dbraw/zinc/76/65/04/568766504.db2.gz	ZPDXPMCOQLKMNC-UHFFFAOYSA-N	-1	0	419.206	2.917	50	10		HFCARM
CCOc1cc(Br)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1O	ZINC000001506761	569006879	/nfs/dbraw/zinc/00/68/79/569006879.db2.gz	IOQBUJKJELQRQA-ONNFQVAWSA-N	-1	0	418.290	2.839	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4ccc(C(=O)[O-])cc34)CC2)cc1	ZINC000036365648	569152297	/nfs/dbraw/zinc/15/22/97/569152297.db2.gz	KYHXIQSOKAVRCI-OAQYLSRUSA-N	-1	0	423.469	2.833	50	10		HFCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)ccc1Br	ZINC000009439090	132234097	/nfs/dbraw/zinc/23/40/97/132234097.db2.gz	BBEAWKQFFWPMKX-XFFZJAGNSA-N	-1	0	420.175	2.925	50	10		HFCARM
CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C1=O)OCO2	ZINC000001133538	132238600	/nfs/dbraw/zinc/23/86/00/132238600.db2.gz	LCEVBZNHGUQWGR-VGOFMYFVSA-N	-1	0	414.414	2.784	50	10		HFCARM
COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)c1C	ZINC000002174846	132249114	/nfs/dbraw/zinc/24/91/14/132249114.db2.gz	TWRYINQUXOWGCD-WOJGMQOQSA-N	-1	0	413.499	2.591	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNN1CCCCCC1	ZINC000005069577	132300215	/nfs/dbraw/zinc/30/02/15/132300215.db2.gz	KKKBRQBPEBLWPA-SDNWHVSQSA-N	-1	0	407.268	2.501	50	10		HFCARM
CN(C)c1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)NN2)cc1	ZINC000008997095	132334815	/nfs/dbraw/zinc/33/48/15/132334815.db2.gz	GZOSRQDSQMMEIM-OTZFSBHDSA-N	-1	0	409.421	2.808	50	10		HFCARM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c1C	ZINC000000681562	535963104	/nfs/dbraw/zinc/96/31/04/535963104.db2.gz	ARQQKLFZIKSCCX-MHWRWJLKSA-N	-1	0	413.499	2.973	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	ZINC000004258186	557532708	/nfs/dbraw/zinc/53/27/08/557532708.db2.gz	WOSAEAWJXZPTOA-UHFFFAOYSA-N	-1	0	406.350	2.732	50	10		HFCARM
CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000109861295	558810068	/nfs/dbraw/zinc/81/00/68/558810068.db2.gz	LHPGDGPTUNXWLV-NBVRZTHBSA-N	-1	0	406.442	2.747	50	10		HFCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1	ZINC000004675192	558886935	/nfs/dbraw/zinc/88/69/35/558886935.db2.gz	RIMMUIYBEJYZPM-DHDCSXOGSA-N	-1	0	416.817	2.692	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1OC	ZINC000004824991	559153094	/nfs/dbraw/zinc/15/30/94/559153094.db2.gz	SLAKFHCLGSJLKY-KAMYIIQDSA-N	-1	0	412.467	2.852	50	10		HFCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1	ZINC000005586788	560626770	/nfs/dbraw/zinc/62/67/70/560626770.db2.gz	ZTBJFFTVDGMVLV-ZHZULCJRSA-N	-1	0	405.454	2.957	50	10		HFCARM
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000008301398	568496906	/nfs/dbraw/zinc/49/69/06/568496906.db2.gz	QFXTZFICVPLCAK-UHFFFAOYSA-N	-1	0	402.410	2.606	50	10		HFCARM
COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCN(CCO)CC2)c1=O	ZINC000020461253	568609761	/nfs/dbraw/zinc/60/97/61/568609761.db2.gz	KLTSZBAFPQFRLD-UHFFFAOYSA-N	-1	0	424.497	2.593	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1	ZINC000001225773	568848967	/nfs/dbraw/zinc/84/89/67/568848967.db2.gz	CCCMYHPRPLNOQD-KPKJPENVSA-N	-1	0	403.188	2.527	50	10		HFCARM
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000006758771	569113076	/nfs/dbraw/zinc/11/30/76/569113076.db2.gz	CVTOTXNIQUMGIT-UHFFFAOYSA-N	-1	0	416.437	2.996	50	10		HFCARM
COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc(Br)c1O	ZINC000013387815	569413244	/nfs/dbraw/zinc/41/32/44/569413244.db2.gz	GATBBAAADRMXBC-UEEORIODSA-N	-1	0	418.290	2.838	50	10		HFCARM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1O	ZINC000009252715	571242604	/nfs/dbraw/zinc/24/26/04/571242604.db2.gz	METONLWYDCZGQB-NVNXTCNLSA-N	-1	0	414.464	2.930	50	10		HFCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005771209	132307912	/nfs/dbraw/zinc/30/79/12/132307912.db2.gz	DAXYWNLPFOMPRH-SFQUDFHCSA-N	-1	0	415.405	2.825	50	10	aggregator	HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000009183473	132336844	/nfs/dbraw/zinc/33/68/44/132336844.db2.gz	YBJNGAQDMBWUPV-XGICHPGQSA-N	-1	0	415.745	2.643	50	10		HFCARM
COc1ccc(N2CCN(C(=S)c3ccc(OCC(=O)[O-])c(OC)c3)CC2)cc1	ZINC000004624292	536692227	/nfs/dbraw/zinc/69/22/27/536692227.db2.gz	CWKCOCRVUGSFCU-UHFFFAOYSA-N	-1	0	416.499	2.665	50	10		HFCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)C1=O	ZINC000002451144	557349124	/nfs/dbraw/zinc/34/91/24/557349124.db2.gz	GEJDJQUOSYPYEE-NXVVXOECSA-N	-1	0	418.496	2.796	50	10		HFCARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	ZINC000004147399	557520060	/nfs/dbraw/zinc/52/00/60/557520060.db2.gz	BTMWPCZAKUWSNT-UHFFFAOYSA-N	-1	0	407.403	2.961	50	10		HFCARM
CN1C(=O)C(=Cc2ccccc2OCc2cccc(C(=O)[O-])c2)C(=O)N(C)C1=S	ZINC000004723835	557586837	/nfs/dbraw/zinc/58/68/37/557586837.db2.gz	NYZLEUXVNLXNCD-UHFFFAOYSA-N	-1	0	410.451	2.563	50	10		HFCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1nn(-c2ccccc2)c(=O)c2ccccc21	ZINC000015558854	558743949	/nfs/dbraw/zinc/74/39/49/558743949.db2.gz	GBMWLCFYSBVWRB-UHFFFAOYSA-N	-1	0	416.393	2.930	50	10		HFCARM
COc1ccccc1-c1cn[n-]c(=NNC=C2C(C)=NN(c3ccccc3)C2=O)n1	ZINC000101007994	559142630	/nfs/dbraw/zinc/14/26/30/559142630.db2.gz	MQPKAKQRHBOYSU-ATVHPVEESA-N	-1	0	401.430	2.770	50	10		HFCARM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccco3)SC2=S)cc1O	ZINC000005348994	560571202	/nfs/dbraw/zinc/57/12/02/560571202.db2.gz	PRGIOMDFWSHPTC-QPEQYQDCSA-N	-1	0	404.425	2.523	50	10		HFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1	ZINC000005734484	560860979	/nfs/dbraw/zinc/86/09/79/560860979.db2.gz	IMCCVOCJYRQQLR-UNOMPAQXSA-N	-1	0	409.442	2.577	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	ZINC000001197539	568823012	/nfs/dbraw/zinc/82/30/12/568823012.db2.gz	OAQNZKFRAMZOLV-OQLLNIDSSA-N	-1	0	412.467	2.852	50	10		HFCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(I)o1	ZINC000004783802	568939331	/nfs/dbraw/zinc/93/93/31/568939331.db2.gz	UDEPJIDOLZBNTB-DHZHZOJOSA-N	-1	0	414.199	2.679	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cn3)C2=O)cc1	ZINC000013124233	569211244	/nfs/dbraw/zinc/21/12/44/569211244.db2.gz	FVAMPZDDQUTXLE-LCYFTJDESA-N	-1	0	401.220	2.731	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(I)o1	ZINC000004703278	132283836	/nfs/dbraw/zinc/28/38/36/132283836.db2.gz	VVNXJYXHTJMKLG-FLIBITNWSA-N	-1	0	408.151	2.551	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000004725074	132285980	/nfs/dbraw/zinc/28/59/80/132285980.db2.gz	FOARFFYUNLVJIT-KPKJPENVSA-N	-1	0	403.188	2.527	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1Cl	ZINC000005024358	132298800	/nfs/dbraw/zinc/29/88/00/132298800.db2.gz	NXZGQJZWBGAZFT-GHXNOFRVSA-N	-1	0	402.790	2.729	50	10		HFCARM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(=O)[N-]C2=S)c1	ZINC000005654390	132307336	/nfs/dbraw/zinc/30/73/36/132307336.db2.gz	XYOVZPBSAMBUEV-YVLHZVERSA-N	-1	0	412.467	2.934	50	10		HFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000013799726	132459438	/nfs/dbraw/zinc/45/94/38/132459438.db2.gz	YHSGQKJFCYYNBP-MFOYZWKCSA-N	-1	0	421.384	2.620	50	10		HFCARM
CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000001214881	535699226	/nfs/dbraw/zinc/69/92/26/535699226.db2.gz	WMKKFXWLVTYCGN-SFQUDFHCSA-N	-1	0	408.410	2.603	50	10		HFCARM
COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c([N+](=O)[O-])cc1OC	ZINC000008751821	557805384	/nfs/dbraw/zinc/80/53/84/557805384.db2.gz	LDZLGHAIKHCSOD-YRNVUSSQSA-N	-1	0	423.381	2.964	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000014011167	558613470	/nfs/dbraw/zinc/61/34/70/558613470.db2.gz	QVRKGWGFEUGDEP-QPEQYQDCSA-N	-1	0	415.199	2.844	50	10		HFCARM
O=C([O-])[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000028296919	558698978	/nfs/dbraw/zinc/69/89/78/558698978.db2.gz	KDOUGVDOVGCWOA-MBFWDRTGSA-N	-1	0	408.501	2.727	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1	ZINC000016671299	558798660	/nfs/dbraw/zinc/79/86/60/558798660.db2.gz	UUAPKQDNABVPNH-GDNBJRDFSA-N	-1	0	420.206	2.761	50	10		HFCARM
COc1ccc(OCCn2c(C)c(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)cc1	ZINC000585145579	559053137	/nfs/dbraw/zinc/05/31/37/559053137.db2.gz	ZOZLOCOCBCSTLL-UHFFFAOYSA-N	-1	0	419.437	2.787	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005345820	560570188	/nfs/dbraw/zinc/57/01/88/560570188.db2.gz	JUUAEHAKSHSTGH-NTUHNPAUSA-N	-1	0	404.425	2.523	50	10		HFCARM
O=c1c(-c2ccc(Cl)cc2)coc2c1ccc([O-])c2CN1CCN(CCO)CC1	ZINC000020392990	568604056	/nfs/dbraw/zinc/60/40/56/568604056.db2.gz	FYQSUVUWJCYYDI-UHFFFAOYSA-N	-1	0	414.889	2.929	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1	ZINC000095483525	568634964	/nfs/dbraw/zinc/63/49/64/568634964.db2.gz	VUNJHOBREMNVOV-FOWTUZBSSA-N	-1	0	404.378	2.969	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000006000148	568834778	/nfs/dbraw/zinc/83/47/78/568834778.db2.gz	BPNYVXALCHOLBM-XMHGGMMESA-N	-1	0	418.453	2.866	50	10		HFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cnc(-c3ccccc3)nc2)C1=O	ZINC000003771806	568868305	/nfs/dbraw/zinc/86/83/05/568868305.db2.gz	HQPITDNIWWJRJU-LFIBNONCSA-N	-1	0	400.394	2.819	50	10		HFCARM
COc1ccccc1Cn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C	ZINC000669458771	568914424	/nfs/dbraw/zinc/91/44/24/568914424.db2.gz	AGJJVSXDTBGJDL-UHFFFAOYSA-O	-1	0	419.486	2.521	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2I)SC1=S	ZINC000001601318	569031002	/nfs/dbraw/zinc/03/10/02/569031002.db2.gz	ZEDBRRDLSSHTQZ-WEVVVXLNSA-N	-1	0	405.238	2.577	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)cc1	ZINC000036360054	569151332	/nfs/dbraw/zinc/15/13/32/569151332.db2.gz	LYZNNNPGUCUSHT-OAQYLSRUSA-N	-1	0	423.469	2.833	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)cc1	ZINC000008974735	571197809	/nfs/dbraw/zinc/19/78/09/571197809.db2.gz	HGRYZDAVDKAXEH-ZSFFSCSXSA-N	-1	0	405.458	2.793	50	10		HFCARM
Cc1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(C)n1-c1ccccc1F	ZINC000040157767	571204112	/nfs/dbraw/zinc/20/41/12/571204112.db2.gz	BCNWWKXCPPBZCB-UHFFFAOYSA-N	-1	0	409.468	2.709	50	10		HFCARM
O=C([O-])c1cc(O)ccc1NC(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000008995875	571208891	/nfs/dbraw/zinc/20/88/91/571208891.db2.gz	KBSAJKJWCIAYFW-ZROIWOOFSA-N	-1	0	418.452	2.913	50	10		HFCARM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000009058963	132228002	/nfs/dbraw/zinc/22/80/02/132228002.db2.gz	ZTBTXLPQCKZTNP-LFIBNONCSA-N	-1	0	424.409	2.838	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000000827545	132233963	/nfs/dbraw/zinc/23/39/63/132233963.db2.gz	SFXUOXICZDDTPA-SDQBBNPISA-N	-1	0	400.774	2.744	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)cc1C	ZINC000004675378	132282101	/nfs/dbraw/zinc/28/21/01/132282101.db2.gz	GJSMORRPIZOXRQ-XSFVSMFZSA-N	-1	0	405.454	2.806	50	10		HFCARM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000006878618	132319730	/nfs/dbraw/zinc/31/97/30/132319730.db2.gz	GOHAMUZALINQJA-WJDWOHSUSA-N	-1	0	412.833	2.621	50	10		HFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1O	ZINC000000852794	525764802	/nfs/dbraw/zinc/76/48/02/525764802.db2.gz	JQGUSWVVXRMHND-LCYFTJDESA-N	-1	0	417.215	2.830	50	10		HFCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O	ZINC000001175089	535658552	/nfs/dbraw/zinc/65/85/52/535658552.db2.gz	GSOLEQAVWYROFO-NTUHNPAUSA-N	-1	0	402.790	2.816	50	10		HFCARM
Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	ZINC000009028818	557819927	/nfs/dbraw/zinc/81/99/27/557819927.db2.gz	OEECYTHEDGVRHT-CQSZACIVSA-N	-1	0	408.410	2.721	50	10		HFCARM
COc1ccc2cc(/C=C3/SC(=S)N([C@H](C(=O)[O-])C(C)C)C3=O)c(=O)[nH]c2c1	ZINC000013690871	558572756	/nfs/dbraw/zinc/57/27/56/558572756.db2.gz	GJYDPWNKBXGOCT-LULHVWEPSA-N	-1	0	418.496	2.847	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O	ZINC000015659760	558747813	/nfs/dbraw/zinc/74/78/13/558747813.db2.gz	KPBALWDVDNUOBT-QPEQYQDCSA-N	-1	0	404.781	2.874	50	10		HFCARM
CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c(CN2CCOCC2)c1[O-]	ZINC000020109733	558777918	/nfs/dbraw/zinc/77/79/18/558777918.db2.gz	ADFCHBPBOZLRJG-UHFFFAOYSA-N	-1	0	401.488	2.907	50	10		HFCARM
Cc1ncc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)s1	ZINC000072311880	558797266	/nfs/dbraw/zinc/79/72/66/558797266.db2.gz	BMJFIGCSZFSUTG-UHFFFAOYSA-N	-1	0	409.514	2.949	50	10		HFCARM
O=C([O-])C1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1	ZINC000005348010	560570918	/nfs/dbraw/zinc/57/09/18/560570918.db2.gz	SNSPUSJAQXZXPO-SDNWHVSQSA-N	-1	0	408.501	2.584	50	10		HFCARM
Cc1ccc(N2C(=O)C(=CNCCc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000103888839	560844856	/nfs/dbraw/zinc/84/48/56/560844856.db2.gz	COTCBSDVDYMGMY-QGOAFFKASA-N	-1	0	404.495	2.940	50	10		HFCARM
Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cn1	ZINC000096114707	568694250	/nfs/dbraw/zinc/69/42/50/568694250.db2.gz	VBIIPPAAVOBOMA-LBPRGKRZSA-N	-1	0	420.377	2.751	50	10	biogenic	HFCARM
Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cn1	ZINC000096114708	568694376	/nfs/dbraw/zinc/69/43/76/568694376.db2.gz	VBIIPPAAVOBOMA-GFCCVEGCSA-N	-1	0	420.377	2.751	50	10	biogenic	HFCARM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\C=C\c1ccc([N+](=O)[O-])o1	ZINC000096286818	568719296	/nfs/dbraw/zinc/71/92/96/568719296.db2.gz	ZHZSSTNQHZUPQM-RAMQEUCVSA-N	-1	0	404.176	2.968	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C\c2cccc(I)c2)SC1=S	ZINC000003030766	568844373	/nfs/dbraw/zinc/84/43/73/568844373.db2.gz	VAZNMWZMUIENRW-WEVVVXLNSA-N	-1	0	405.238	2.577	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CN=c3ccc4ns[nH]c-4c3)C2=O)cc1	ZINC000016955840	569268628	/nfs/dbraw/zinc/26/86/28/569268628.db2.gz	QQUJSRBYBFWFPX-UVTDQMKNSA-N	-1	0	409.427	2.669	50	10		HFCARM
CC(=O)N1c2ccccc2/C(=C2/SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)C1=O	ZINC000008821626	571121580	/nfs/dbraw/zinc/12/15/80/571121580.db2.gz	PSDUGQCADSLGSD-FARYLTDUSA-N	-1	0	418.496	2.650	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000012363805	132359015	/nfs/dbraw/zinc/35/90/15/132359015.db2.gz	ZRLMZKFWWJBEPH-ZROIWOOFSA-N	-1	0	403.257	2.986	50	10		HFCARM
COc1ccccc1OCCn1c(C)c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21	ZINC000004607893	558847827	/nfs/dbraw/zinc/84/78/27/558847827.db2.gz	XBDBIYOKEQEWLI-UHFFFAOYSA-N	-1	0	419.437	2.787	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(OC)c1OC	ZINC000013774792	558868217	/nfs/dbraw/zinc/86/82/17/558868217.db2.gz	QHTIKMZZHKZZAD-PTNGSMBKSA-N	-1	0	412.467	2.852	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1cc(C)cc(C)c1	ZINC000005102405	559246633	/nfs/dbraw/zinc/24/66/33/559246633.db2.gz	LHBCZMSZGAMTOT-UHFFFAOYSA-N	-1	0	410.426	2.519	50	10		HFCARM
CC1=NN(c2ccccc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000110166348	560562662	/nfs/dbraw/zinc/56/26/62/560562662.db2.gz	UCDKVMBDNPUDDV-LFIBNONCSA-N	-1	0	422.828	2.691	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1	ZINC000002833548	560732387	/nfs/dbraw/zinc/73/23/87/560732387.db2.gz	AXSUKNBLVQJULF-OQLLNIDSSA-N	-1	0	423.400	2.821	50	10		HFCARM
NC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2	ZINC000002762374	568460406	/nfs/dbraw/zinc/46/04/06/568460406.db2.gz	DEWIFNSSAXVWOK-UHFFFAOYSA-N	-1	0	401.307	2.899	50	10		HFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@H](C)c3ccccc3)C2=O)cc1OC	ZINC000020291306	568598337	/nfs/dbraw/zinc/59/83/37/568598337.db2.gz	IKEIJVHFXZTZRT-SULWINFOSA-N	-1	0	423.469	2.559	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccccc1Cl	ZINC000001117844	568771103	/nfs/dbraw/zinc/77/11/03/568771103.db2.gz	OZKGNTMPXRBIGV-UHFFFAOYSA-N	-1	0	414.801	2.707	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccc(C)cc1C	ZINC000002977936	568832814	/nfs/dbraw/zinc/83/28/14/568832814.db2.gz	GCDWJMBHILGHBK-UHFFFAOYSA-N	-1	0	410.426	2.519	50	10		HFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc1	ZINC000001253311	568908782	/nfs/dbraw/zinc/90/87/82/568908782.db2.gz	CGLBAXDVVIAVLN-OVCLIPMQSA-N	-1	0	412.398	2.920	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2I)SC1=S	ZINC000001601319	569095091	/nfs/dbraw/zinc/09/50/91/569095091.db2.gz	ZEDBRRDLSSHTQZ-UITAMQMPSA-N	-1	0	405.238	2.577	50	10		HFCARM
O=C([O-])c1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	ZINC000002215257	569310401	/nfs/dbraw/zinc/31/04/01/569310401.db2.gz	DQPLTMIFSWTWIT-UHFFFAOYSA-N	-1	0	421.228	2.733	50	10		HFCARM
CC(C)OC(=O)Cn1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000009234606	571240071	/nfs/dbraw/zinc/24/00/71/571240071.db2.gz	IYNXULKIPARLJF-CHHVJCJISA-N	-1	0	418.496	2.879	50	10		HFCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C2=O)c1	ZINC000001515788	132246981	/nfs/dbraw/zinc/24/69/81/132246981.db2.gz	KYQGBDRYIVPTKL-ZDLGFXPLSA-N	-1	0	403.394	2.976	50	10		HFCARM
COc1ccccc1N1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000001842068	132248133	/nfs/dbraw/zinc/24/81/33/132248133.db2.gz	AFOMGVIMJHBDCY-DTQAZKPQSA-N	-1	0	420.494	2.640	50	10		HFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c(F)c3)C2=O)c1	ZINC000009971954	132344503	/nfs/dbraw/zinc/34/45/03/132344503.db2.gz	XHEFHKMTAPAFBL-LDADJPATSA-N	-1	0	423.444	2.946	50	10		HFCARM
CC(=O)Nc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1	ZINC000032099697	519708926	/nfs/dbraw/zinc/70/89/26/519708926.db2.gz	OAECBYMDVLJLRL-YBEGLDIGSA-N	-1	0	400.232	2.869	50	10		HFCARM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1O	ZINC000000852862	525764905	/nfs/dbraw/zinc/76/49/05/525764905.db2.gz	VNBGOTRNESEMIN-JYRVWZFOSA-N	-1	0	417.215	2.830	50	10		HFCARM
O=C1CC(N2C(=O)C(=Cc3cccs3)SC2=S)=C([O-])N1c1ccc(O)cc1	ZINC000010386579	557286924	/nfs/dbraw/zinc/28/69/24/557286924.db2.gz	JSAYSZZZHCJCQH-IAOKNECISA-N	-1	0	416.505	2.987	50	10		HFCARM
CN1c2ccccc2/C(=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)C1=O	ZINC000001788196	557288123	/nfs/dbraw/zinc/28/81/23/557288123.db2.gz	ZACNBIUZPVXNBM-KSPIOAOGSA-N	-1	0	424.503	2.930	50	10		HFCARM
CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N(C)C1=S	ZINC000004655903	557576508	/nfs/dbraw/zinc/57/65/08/557576508.db2.gz	BGFDAOWHBGNHOZ-UHFFFAOYSA-N	-1	0	404.831	2.897	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000013381978	558531192	/nfs/dbraw/zinc/53/11/92/558531192.db2.gz	HQHKDMJTGXBADS-MLPAPPSSSA-N	-1	0	403.778	2.727	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1O	ZINC000013896198	558600558	/nfs/dbraw/zinc/60/05/58/558600558.db2.gz	KZSKQSJPPNNLDB-QPEQYQDCSA-N	-1	0	417.215	2.830	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000016667674	558798545	/nfs/dbraw/zinc/79/85/45/558798545.db2.gz	SCQHCTCGOBSYHF-ZROIWOOFSA-N	-1	0	403.232	2.928	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c(C)c1	ZINC000013551362	558843427	/nfs/dbraw/zinc/84/34/27/558843427.db2.gz	IMZWHNUEFCLYNE-GDNBJRDFSA-N	-1	0	408.414	2.944	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1cccc(C)c1	ZINC000005198151	559292122	/nfs/dbraw/zinc/29/21/22/559292122.db2.gz	YCZMGZPXSYHUDQ-UHFFFAOYSA-N	-1	0	410.426	2.601	50	10		HFCARM
Cn1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	ZINC000096114204	568693996	/nfs/dbraw/zinc/69/39/96/568693996.db2.gz	KYQONERFOFEQNT-LLVKDONJSA-N	-1	0	420.377	2.751	50	10	biogenic	HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000001178157	568821445	/nfs/dbraw/zinc/82/14/45/568821445.db2.gz	BGLXQGOHGLGDLE-UHFFFAOYSA-N	-1	0	414.801	2.707	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000001508483	569007260	/nfs/dbraw/zinc/00/72/60/569007260.db2.gz	YWDDNDQPRKGCBD-XNTDXEJSSA-N	-1	0	411.370	2.669	50	10		HFCARM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1O	ZINC000009347915	571250394	/nfs/dbraw/zinc/25/03/94/571250394.db2.gz	HQUNIJBHYOSBRC-QPEQYQDCSA-N	-1	0	420.493	2.992	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O	ZINC000001164103	132239776	/nfs/dbraw/zinc/23/97/76/132239776.db2.gz	KLMNNJGGZATKFG-VGOFMYFVSA-N	-1	0	416.430	2.683	50	10		HFCARM
COc1ccc(N2CCN(C(=O)Cc3c4ccccc4n(C)c3C(=O)[O-])CC2)cc1	ZINC000003660310	132267931	/nfs/dbraw/zinc/26/79/31/132267931.db2.gz	MCGXTCAPKDOYIT-UHFFFAOYSA-N	-1	0	407.470	2.776	50	10		HFCARM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000009311420	132338469	/nfs/dbraw/zinc/33/84/69/132338469.db2.gz	GBDRWLHKRDWPKI-DHDCSXOGSA-N	-1	0	424.409	2.879	50	10		HFCARM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1OC	ZINC000020567647	523156295	/nfs/dbraw/zinc/15/62/95/523156295.db2.gz	FEQVPOGMKRQIOM-UHFFFAOYSA-N	-1	0	410.470	2.930	50	10	biogenic	HFCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N1	ZINC000001191471	557236376	/nfs/dbraw/zinc/23/63/76/557236376.db2.gz	PPISJHFRIHVBCY-UHFFFAOYSA-N	-1	0	401.216	2.778	50	10		HFCARM
Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000009028814	557819790	/nfs/dbraw/zinc/81/97/90/557819790.db2.gz	OEECYTHEDGVRHT-AWEZNQCLSA-N	-1	0	408.410	2.721	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC	ZINC000013546388	558537968	/nfs/dbraw/zinc/53/79/68/558537968.db2.gz	RTDNNQZWEXCNES-ZSOIEALJSA-N	-1	0	411.370	2.587	50	10		HFCARM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)c1	ZINC000004471891	558599212	/nfs/dbraw/zinc/59/92/12/558599212.db2.gz	AQPOGMODOGSMGK-PTNGSMBKSA-N	-1	0	413.430	2.809	50	10		HFCARM
CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cn1	ZINC000015856660	558757148	/nfs/dbraw/zinc/75/71/48/558757148.db2.gz	HAKAPFJRIBHHGR-XGICHPGQSA-N	-1	0	408.361	2.884	50	10		HFCARM
COc1ccc(-c2nn(CCC(=O)[O-])cc2C=C2SC(=S)NC2=O)cc1OC	ZINC000003270896	558780409	/nfs/dbraw/zinc/78/04/09/558780409.db2.gz	OCZICCNVLSHYGF-ZSOIEALJSA-N	-1	0	419.484	2.531	50	10		HFCARM
O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O	ZINC000004663744	558876072	/nfs/dbraw/zinc/87/60/72/558876072.db2.gz	SMFMUKRIWOKWMX-UHFFFAOYSA-N	-1	0	401.378	2.828	50	10		HFCARM
Cc1cccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1	ZINC000004815212	559078043	/nfs/dbraw/zinc/07/80/43/559078043.db2.gz	UUUBRUWAILMCTE-WOJGMQOQSA-N	-1	0	413.389	2.600	50	10		HFCARM
Cc1cc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)ccc1Cl	ZINC000005102419	559246587	/nfs/dbraw/zinc/24/65/87/559246587.db2.gz	LZQRUUGCGJOKHU-UHFFFAOYSA-N	-1	0	400.818	2.856	50	10		HFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=C(O)C=Cc2ccc(N(C)C)cc2)C1=O	ZINC000101373811	560793492	/nfs/dbraw/zinc/79/34/92/560793492.db2.gz	GQGMNPVNLMVWRZ-DFQGMUSMSA-N	-1	0	407.426	2.870	50	10		HFCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000001070879	568765421	/nfs/dbraw/zinc/76/54/21/568765421.db2.gz	OXQVHAFMICJWQS-WLRTZDKTSA-N	-1	0	413.317	2.965	50	10		HFCARM
Cc1cccc(N2C(=O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C(=O)[N-]C2=S)c1	ZINC000252679132	569319864	/nfs/dbraw/zinc/31/98/64/569319864.db2.gz	IHVQZUIHIRKOCA-BSKAQADGSA-N	-1	0	421.526	2.753	50	10		HFCARM
Cc1ccc(C(=O)c2c3c(sc2NC=C2C(=O)[N-]C(=O)NC2=O)CCCC3)cc1	ZINC000008491843	571061390	/nfs/dbraw/zinc/06/13/90/571061390.db2.gz	XEUYEEQIIXBOSK-UHFFFAOYSA-N	-1	0	409.467	2.828	50	10		HFCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000004859892	132290778	/nfs/dbraw/zinc/29/07/78/132290778.db2.gz	HVBWMXJFAXKJGL-DZBQEORWSA-N	-1	0	408.410	2.822	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1coc2ccc(O)cc2c1=O	ZINC000009109741	132336008	/nfs/dbraw/zinc/33/60/08/132336008.db2.gz	TXRGBSYDSYHVJO-VIZOYTHASA-N	-1	0	410.769	2.818	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)cc1	ZINC000012659799	132365859	/nfs/dbraw/zinc/36/58/59/132365859.db2.gz	HGRYZDAVDKAXEH-BSKAQADGSA-N	-1	0	405.458	2.589	50	10	biogenic	HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1nc(-c2ccccc2)no1	ZINC000020592156	527048829	/nfs/dbraw/zinc/04/88/29/527048829.db2.gz	YSMLOUJXCGXVPQ-XNTDXEJSSA-N	-1	0	423.816	2.647	50	10		HFCARM
O=C([O-])CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S	ZINC000001071325	527590268	/nfs/dbraw/zinc/59/02/68/527590268.db2.gz	DEURBLWUSFYEQZ-NYYWCZLTSA-N	-1	0	416.274	2.854	50	10		HFCARM
C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000013574495	558543041	/nfs/dbraw/zinc/54/30/41/558543041.db2.gz	RPKPCZUDZKOHDP-ZJTXEKFPSA-N	-1	0	418.452	2.912	50	10		HFCARM
Cc1ccc(-n2cc(/C=C3/C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)cn2)cc1	ZINC000016214099	558778784	/nfs/dbraw/zinc/77/87/84/558778784.db2.gz	JFBZCQAKJDKUJO-MOSHPQCFSA-N	-1	0	400.438	2.885	50	10		HFCARM
COc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)[O-])c1O	ZINC000080316177	559022037	/nfs/dbraw/zinc/02/20/37/559022037.db2.gz	YHOQPQIREBXUEO-OAHLLOKOSA-N	-1	0	412.398	2.672	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(Br)c1O	ZINC000016671926	559079091	/nfs/dbraw/zinc/07/90/91/559079091.db2.gz	HPEMUCVQHIQLSV-QPEQYQDCSA-N	-1	0	403.232	2.933	50	10		HFCARM
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000005371947	568840296	/nfs/dbraw/zinc/84/02/96/568840296.db2.gz	DETAXTKHNNENRZ-YFHOEESVSA-N	-1	0	408.320	2.538	50	10		HFCARM
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004084179	568939585	/nfs/dbraw/zinc/93/95/85/568939585.db2.gz	WLUHRDKRTOOHIR-UHFFFAOYSA-N	-1	0	421.430	2.985	50	10		HFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)[nH]c2ccccc21	ZINC000006786169	569121780	/nfs/dbraw/zinc/12/17/80/569121780.db2.gz	PYGHSBCYMOWWJS-AQTBWJFISA-N	-1	0	422.485	2.641	50	10		HFCARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1	ZINC000007409988	569237057	/nfs/dbraw/zinc/23/70/57/569237057.db2.gz	YWIKUQWGFFPAJD-SNVBAGLBSA-N	-1	0	410.517	2.790	50	10		HFCARM
O=C([O-])C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1	ZINC000008972195	571197472	/nfs/dbraw/zinc/19/74/72/571197472.db2.gz	JPEDSAOXLAUJAO-PTNGSMBKSA-N	-1	0	422.503	2.740	50	10		HFCARM
O=C([O-])[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000009253504	571242987	/nfs/dbraw/zinc/24/29/87/571242987.db2.gz	FYWZVUFKOHWPBX-XFNCEPBJSA-N	-1	0	422.503	2.883	50	10		HFCARM
COc1cc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1	ZINC000001186822	132241226	/nfs/dbraw/zinc/24/12/26/132241226.db2.gz	ZIVBNCJCNHPYGQ-GDNBJRDFSA-N	-1	0	400.362	2.518	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000009137655	132336407	/nfs/dbraw/zinc/33/64/07/132336407.db2.gz	UTOWQUZMHXAQNL-PTNGSMBKSA-N	-1	0	409.398	2.869	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc(OC)c1O	ZINC000032109741	521944970	/nfs/dbraw/zinc/94/49/70/521944970.db2.gz	ICYLMWQHYVXUQC-QPEQYQDCSA-N	-1	0	419.231	2.633	50	10		HFCARM
COc1cc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1	ZINC000013548561	558538486	/nfs/dbraw/zinc/53/84/86/558538486.db2.gz	RGYNCQTYKPZVRJ-BOPFTXTBSA-N	-1	0	410.426	2.996	50	10		HFCARM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)c1	ZINC000015723275	558749892	/nfs/dbraw/zinc/74/98/92/558749892.db2.gz	JYLBHWUTRUTOBB-GDNBJRDFSA-N	-1	0	420.206	2.761	50	10		HFCARM
O=C([O-])COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	ZINC000013569996	558844461	/nfs/dbraw/zinc/84/44/61/558844461.db2.gz	UITMIJXZWKTMHF-RGEXLXHISA-N	-1	0	423.494	2.943	50	10		HFCARM
CC[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21	ZINC000251748295	559276863	/nfs/dbraw/zinc/27/68/63/559276863.db2.gz	ADKVKIACXGVOPH-WOYCLPQFSA-N	-1	0	414.845	2.729	50	10		HFCARM
COCCN1C(=O)[N-]C(=O)C(=Cc2ccc(OCCN(C)c3ccccn3)cc2)C1=O	ZINC000020388182	568603712	/nfs/dbraw/zinc/60/37/12/568603712.db2.gz	UAWOQONDULZTPA-OBGWFSINSA-N	-1	0	424.457	2.545	50	10		HFCARM
O=C(Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl)c1ccccc1	ZINC000002793069	568810375	/nfs/dbraw/zinc/81/03/75/568810375.db2.gz	REUZOPBXMQMFDN-UHFFFAOYSA-N	-1	0	405.193	2.962	50	10		HFCARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000001192700	568823045	/nfs/dbraw/zinc/82/30/45/568823045.db2.gz	SCQHCTCGOBSYHF-NTEUORMPSA-N	-1	0	403.232	2.928	50	10		HFCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000016284805	569030449	/nfs/dbraw/zinc/03/04/49/569030449.db2.gz	IAJJHLOYZJSSLJ-FOWTUZBSSA-N	-1	0	411.483	2.564	50	10		HFCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc1	ZINC000008567020	571081969	/nfs/dbraw/zinc/08/19/69/571081969.db2.gz	CGLBAXDVVIAVLN-NVNXTCNLSA-N	-1	0	412.398	2.920	50	10		HFCARM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C(C)=O)C2=O)SC1=S	ZINC000008821627	571121738	/nfs/dbraw/zinc/12/17/38/571121738.db2.gz	ZEYDOJRYGVGEBR-YCPJBFQXSA-N	-1	0	418.496	2.795	50	10		HFCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000008971716	571197190	/nfs/dbraw/zinc/19/71/90/571197190.db2.gz	SWFMWKPOYYJJCH-UHFFFAOYSA-N	-1	0	409.398	2.822	50	10		HFCARM
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000009253289	571242777	/nfs/dbraw/zinc/24/27/77/571242777.db2.gz	DMQCJSQWRZRAFU-PFMRQGHBSA-N	-1	0	418.452	2.912	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1	ZINC000001275415	132243526	/nfs/dbraw/zinc/24/35/26/132243526.db2.gz	QUBXXZZROQWSNZ-RVDMUPIBSA-N	-1	0	401.419	2.927	50	10		HFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21	ZINC000002305108	132252137	/nfs/dbraw/zinc/25/21/37/132252137.db2.gz	HWQNNSWVSQPUFR-BOPFTXTBSA-N	-1	0	419.462	2.646	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000004471599	132277440	/nfs/dbraw/zinc/27/74/40/132277440.db2.gz	OKROLDLJZMWPIE-QPEQYQDCSA-N	-1	0	415.199	2.844	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC	ZINC000004739018	132286350	/nfs/dbraw/zinc/28/63/50/132286350.db2.gz	MIDSIKVVOMRONS-WQLSENKSSA-N	-1	0	416.430	2.683	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCSc1ccc(C)cc1	ZINC000002829680	557397691	/nfs/dbraw/zinc/39/76/91/557397691.db2.gz	BRLRVDNBZCJBJB-UHFFFAOYSA-N	-1	0	412.467	2.924	50	10		HFCARM
O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000002946925	557773557	/nfs/dbraw/zinc/77/35/57/557773557.db2.gz	GVPSAYCJUWMKSM-UHFFFAOYSA-N	-1	0	413.411	2.807	50	10		HFCARM
COc1cc([N-]S(=O)(=O)c2ccc(NCc3ccccc3O)cc2)nc(OC)n1	ZINC000004384949	558482497	/nfs/dbraw/zinc/48/24/97/558482497.db2.gz	MZRFWNKMIRHJSC-UHFFFAOYSA-N	-1	0	416.459	2.612	50	10		HFCARM
O=C([O-])[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000013572921	558542602	/nfs/dbraw/zinc/54/26/02/558542602.db2.gz	FYWZVUFKOHWPBX-ADVGAGMGSA-N	-1	0	422.503	2.883	50	10		HFCARM
COc1ccc2cc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C3=O)c(=O)[nH]c2c1	ZINC000013690872	558572762	/nfs/dbraw/zinc/57/27/62/558572762.db2.gz	GJYDPWNKBXGOCT-KEQVLUGWSA-N	-1	0	418.496	2.847	50	10		HFCARM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(I)cc1	ZINC000014009265	558612849	/nfs/dbraw/zinc/61/28/49/558612849.db2.gz	CUQAWNYZVBUVKA-ZSOIEALJSA-N	-1	0	407.211	2.879	50	10		HFCARM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)[N-]C2=S)c1	ZINC000004739709	559043169	/nfs/dbraw/zinc/04/31/69/559043169.db2.gz	MTHVJROVHPGZHD-XSFVSMFZSA-N	-1	0	421.522	2.971	50	10		HFCARM
COc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1O	ZINC000000967009	568758390	/nfs/dbraw/zinc/75/83/90/568758390.db2.gz	CVJBTEGPSKKVNI-POHAHGRESA-N	-1	0	418.290	2.839	50	10		HFCARM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1O	ZINC000013382171	569413222	/nfs/dbraw/zinc/41/32/22/569413222.db2.gz	CVJBTEGPSKKVNI-UXBLZVDNSA-N	-1	0	418.290	2.839	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000001197627	132241640	/nfs/dbraw/zinc/24/16/40/132241640.db2.gz	CWKVDWJNNBHLIA-OQLLNIDSSA-N	-1	0	412.467	2.852	50	10		HFCARM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000001838600	132248141	/nfs/dbraw/zinc/24/81/41/132248141.db2.gz	CJFDSKPFYYILOO-SFQUDFHCSA-N	-1	0	408.458	2.771	50	10		HFCARM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C1=O)OCO2	ZINC000004679833	536889049	/nfs/dbraw/zinc/88/90/49/536889049.db2.gz	FGMJMEPGCVOFAA-ACAGNQJTSA-N	-1	0	400.774	2.744	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000002970631	557432559	/nfs/dbraw/zinc/43/25/59/557432559.db2.gz	QGFWVOPNFZNURQ-UHFFFAOYSA-N	-1	0	404.781	2.816	50	10		HFCARM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000004704504	557584684	/nfs/dbraw/zinc/58/46/84/557584684.db2.gz	JZFVZEMOBFNPQU-ZSOIEALJSA-N	-1	0	411.370	2.587	50	10		HFCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1O	ZINC000002700446	557741672	/nfs/dbraw/zinc/74/16/72/557741672.db2.gz	XMCMXKHHENQFKE-NTEUORMPSA-N	-1	0	418.452	2.913	50	10		HFCARM
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)o1	ZINC000013512665	558535796	/nfs/dbraw/zinc/53/57/96/558535796.db2.gz	UBMKLDADSKTQFE-GZTJUZNOSA-N	-1	0	420.377	2.988	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O	ZINC000013775158	558868277	/nfs/dbraw/zinc/86/82/77/558868277.db2.gz	BBMQKMLORDHKQF-QPEQYQDCSA-N	-1	0	402.790	2.729	50	10		HFCARM
Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3[O-])S2)cc1	ZINC000033395591	559160151	/nfs/dbraw/zinc/16/01/51/559160151.db2.gz	OGNYLYNGRCVYBF-OQLLNIDSSA-N	-1	0	419.440	2.558	50	10		HFCARM
COc1cc(OC)c(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1	ZINC000001197412	568823009	/nfs/dbraw/zinc/82/30/09/568823009.db2.gz	QLTBEXJMSWHKJH-MHWRWJLKSA-N	-1	0	414.389	2.718	50	10		HFCARM
Cc1c(/C=C2/C(=O)N(C)C(=O)N=C2[O-])c(=O)oc2c1cc1c3c2CCCN3CCC1	ZINC000008739752	571110380	/nfs/dbraw/zinc/11/03/80/571110380.db2.gz	XRCKIUMZQDXNFP-MHWRWJLKSA-N	-1	0	407.426	2.732	50	10	biogenic	HFCARM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1O	ZINC000008753560	571112711	/nfs/dbraw/zinc/11/27/11/571112711.db2.gz	HQUNIJBHYOSBRC-NTUHNPAUSA-N	-1	0	420.493	2.992	50	10		HFCARM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000000786788	132232656	/nfs/dbraw/zinc/23/26/56/132232656.db2.gz	QOROCAAFFQGSDW-GDNBJRDFSA-N	-1	0	421.384	2.620	50	10		HFCARM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000006136092	132309425	/nfs/dbraw/zinc/30/94/25/132309425.db2.gz	DPTVVQCOAOWCTP-LICLKQGHSA-N	-1	0	421.384	2.620	50	10		HFCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1O	ZINC000009263170	132337761	/nfs/dbraw/zinc/33/77/61/132337761.db2.gz	QTKHWCCCLGTPCK-QPEQYQDCSA-N	-1	0	417.215	2.830	50	10		HFCARM
CCN(CCO)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000009461843	132340110	/nfs/dbraw/zinc/34/01/10/132340110.db2.gz	VFLFHWQBHXOSCA-NBVRZTHBSA-N	-1	0	424.526	2.557	50	10		HFCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1	ZINC000013174856	558525232	/nfs/dbraw/zinc/52/52/32/558525232.db2.gz	LSZFVBHHUXRATL-AQTBWJFISA-N	-1	0	411.458	2.905	50	10		HFCARM
COc1ccccc1/C=C1\SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000013777259	558592663	/nfs/dbraw/zinc/59/26/63/558592663.db2.gz	LDSYIVRGPURHHH-PTNGSMBKSA-N	-1	0	406.510	2.790	50	10		HFCARM
CCN(CC)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1	ZINC000004608608	558848654	/nfs/dbraw/zinc/84/86/54/558848654.db2.gz	JHCNUZIPVVBKRA-KAMYIIQDSA-N	-1	0	400.547	2.622	50	10		HFCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OC(=O)c1cccc2ccccc21	ZINC000015769044	560856078	/nfs/dbraw/zinc/85/60/78/560856078.db2.gz	UGRTYGHJVNCHEE-UHFFFAOYSA-N	-1	0	416.389	2.817	50	10		HFCARM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl	ZINC000019079562	568752405	/nfs/dbraw/zinc/75/24/05/568752405.db2.gz	YWAGUAFOCGMEDP-UHFFFAOYSA-N	-1	0	418.909	2.517	50	10		HFCARM
CC1=NN(c2ccccc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000137068853	568828260	/nfs/dbraw/zinc/82/82/60/568828260.db2.gz	WCHGMEAKCPEADG-LFIBNONCSA-N	-1	0	422.828	2.691	50	10		HFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000027519919	569328053	/nfs/dbraw/zinc/32/80/53/569328053.db2.gz	LKMYUJUHODMSJD-WQRHYEAKSA-N	-1	0	424.453	2.715	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000001185316	132240962	/nfs/dbraw/zinc/24/09/62/132240962.db2.gz	QVRKGWGFEUGDEP-NTUHNPAUSA-N	-1	0	415.199	2.844	50	10		HFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c1	ZINC000002288658	132251546	/nfs/dbraw/zinc/25/15/46/132251546.db2.gz	NFBQIRZWWVEEJM-NTEUORMPSA-N	-1	0	412.398	2.592	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c(Br)c1	ZINC000004724905	132285972	/nfs/dbraw/zinc/28/59/72/132285972.db2.gz	ZXHDULZIWRUYHW-YFHOEESVSA-N	-1	0	405.179	2.960	50	10		HFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1	ZINC000004812250	536184312	/nfs/dbraw/zinc/18/43/12/536184312.db2.gz	AUCGSNXLMGGLTP-RMWKRFJVSA-N	-1	0	419.485	2.843	50	10		HFCARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1	ZINC000005764273	557673597	/nfs/dbraw/zinc/67/35/97/557673597.db2.gz	DTNKQBOAIYFLCU-JTQLQIEISA-N	-1	0	407.517	2.731	50	10		HFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC	ZINC000013041644	558507463	/nfs/dbraw/zinc/50/74/63/558507463.db2.gz	WSGJCIBYMHLTOI-JTQLQIEISA-N	-1	0	410.517	2.790	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000013943642	558605357	/nfs/dbraw/zinc/60/53/57/558605357.db2.gz	XCZRHKFNZLSPJG-ZSOIEALJSA-N	-1	0	416.430	2.683	50	10		HFCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1	ZINC000034926547	558787709	/nfs/dbraw/zinc/78/77/09/558787709.db2.gz	UMDCJAPUMACXCB-UHFFFAOYSA-N	-1	0	411.502	2.552	50	10		HFCARM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000101036553	560766831	/nfs/dbraw/zinc/76/68/31/560766831.db2.gz	CJFDSKPFYYILOO-ATVHPVEESA-N	-1	0	408.458	2.771	50	10		HFCARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000020058185	568586916	/nfs/dbraw/zinc/58/69/16/568586916.db2.gz	XUJDIFQXIKDNAI-UHFFFAOYSA-N	-1	0	407.403	2.961	50	10		HFCARM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)C1=O	ZINC000005867609	568827052	/nfs/dbraw/zinc/82/70/52/568827052.db2.gz	UKSLSPHEWJIBSN-SFQUDFHCSA-N	-1	0	408.458	2.976	50	10		HFCARM
CN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)[O-])SC1=S	ZINC000032124793	121082295	/nfs/dbraw/zinc/08/22/95/121082295.db2.gz	WFDCJWFAOPTBSO-QBFSEMIESA-N	-1	0	402.544	2.536	50	10		HFCARM
COc1cc(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)cc(OC)c1OC	ZINC000002314161	132252497	/nfs/dbraw/zinc/25/24/97/132252497.db2.gz	JWANLFSAVPNLKA-JYRVWZFOSA-N	-1	0	401.444	2.723	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1O	ZINC000004459202	132277316	/nfs/dbraw/zinc/27/73/16/132277316.db2.gz	LXCLXLZKNHYQKJ-WQLSENKSSA-N	-1	0	402.750	2.533	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1	ZINC000004739708	132286586	/nfs/dbraw/zinc/28/65/86/132286586.db2.gz	DBQDDZRZDUUMKM-XSFVSMFZSA-N	-1	0	405.454	2.806	50	10		HFCARM
CCOC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000002735713	535699600	/nfs/dbraw/zinc/69/96/00/535699600.db2.gz	OCXIDHPSHHSQOK-LDADJPATSA-N	-1	0	422.437	2.912	50	10		HFCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)c1	ZINC000006000594	557683708	/nfs/dbraw/zinc/68/37/08/557683708.db2.gz	WCCHZCWUYWPYJT-RGEXLXHISA-N	-1	0	418.453	2.866	50	10		HFCARM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000017086460	558816229	/nfs/dbraw/zinc/81/62/29/558816229.db2.gz	LNJBSXVDMSFRFX-BENRWUELSA-N	-1	0	401.806	2.936	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000004704518	558913696	/nfs/dbraw/zinc/91/36/96/558913696.db2.gz	UBTJLZPSAPKKTE-KPKJPENVSA-N	-1	0	405.179	2.960	50	10		HFCARM
CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1	ZINC000060257790	558941925	/nfs/dbraw/zinc/94/19/25/558941925.db2.gz	DHRRDDLXFFPRMV-MJWGMMHASA-N	-1	0	406.376	2.522	50	10		HFCARM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C/c3ccco3)SC2=S)ccc1O	ZINC000005348669	560571092	/nfs/dbraw/zinc/57/10/92/560571092.db2.gz	QSKUWLRFJPOFNP-QPEQYQDCSA-N	-1	0	404.425	2.523	50	10		HFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@H](C)c3ccccc3)C2=O)cc1OC	ZINC000095483894	568635085	/nfs/dbraw/zinc/63/50/85/568635085.db2.gz	IKEIJVHFXZTZRT-LWFDYCOSSA-N	-1	0	423.469	2.559	50	10		HFCARM
CC1=NN(c2ccccc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000096592073	568763076	/nfs/dbraw/zinc/76/30/76/568763076.db2.gz	WCHGMEAKCPEADG-WJDWOHSUSA-N	-1	0	422.828	2.691	50	10		HFCARM
O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000006072755	568992867	/nfs/dbraw/zinc/99/28/67/568992867.db2.gz	LPCULTSNOQVFPX-UVTDQMKNSA-N	-1	0	416.509	2.658	50	10		HFCARM
Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000006624347	569075537	/nfs/dbraw/zinc/07/55/37/569075537.db2.gz	ICIMECWGOZJDHC-UHFFFAOYSA-N	-1	0	403.431	2.597	50	10	biogenic	HFCARM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)ccc1O	ZINC000009347872	571250386	/nfs/dbraw/zinc/25/03/86/571250386.db2.gz	SHHNSLLVEJCOMX-NVNXTCNLSA-N	-1	0	414.464	2.930	50	10		HFCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(I)o3)C2=O)cc1	ZINC000000667135	132230499	/nfs/dbraw/zinc/23/04/99/132230499.db2.gz	HIBMYXMIZPFFJY-XYOKQWHBSA-N	-1	0	422.178	2.859	50	10		HFCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(C)=O	ZINC000004813702	535659647	/nfs/dbraw/zinc/65/96/47/535659647.db2.gz	MCBGBSCNYZBUIQ-GXDHUFHOSA-N	-1	0	412.373	2.816	50	10		HFCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)cc1	ZINC000019947215	536183919	/nfs/dbraw/zinc/18/39/19/536183919.db2.gz	AUCGSNXLMGGLTP-YKRMCXMESA-N	-1	0	419.485	2.843	50	10		HFCARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000001269248	557253156	/nfs/dbraw/zinc/25/31/56/557253156.db2.gz	DILJESRXXYXHSN-PQDJCJPTSA-N	-1	0	410.476	2.906	50	10		HFCARM
COc1cc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000002691417	557368532	/nfs/dbraw/zinc/36/85/32/557368532.db2.gz	CRLDQDHNCBSYMG-YVLHZVERSA-N	-1	0	414.439	2.971	50	10		HFCARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1	ZINC000013008020	558502745	/nfs/dbraw/zinc/50/27/45/558502745.db2.gz	JGVCMEYLSWZWJY-UHFFFAOYSA-N	-1	0	418.880	2.519	50	10		HFCARM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000013401633	558531553	/nfs/dbraw/zinc/53/15/53/558531553.db2.gz	QOROCAAFFQGSDW-XNTDXEJSSA-N	-1	0	421.384	2.620	50	10		HFCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015659286	558747864	/nfs/dbraw/zinc/74/78/64/558747864.db2.gz	OXQVHAFMICJWQS-ACAGNQJTSA-N	-1	0	413.317	2.965	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21	ZINC000016791027	558807269	/nfs/dbraw/zinc/80/72/69/558807269.db2.gz	MULZFEMFKDVDGN-ZCXUNETKSA-N	-1	0	424.503	2.932	50	10		HFCARM
CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)CC1	ZINC000020358297	568600396	/nfs/dbraw/zinc/60/03/96/568600396.db2.gz	IOCWTRVEFHSTBU-UHFFFAOYSA-N	-1	0	408.454	2.684	50	10		HFCARM
CN(C)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000095471547	568626623	/nfs/dbraw/zinc/62/66/23/568626623.db2.gz	NWOXDAUSRXCKEI-WJDWOHSUSA-N	-1	0	412.833	2.621	50	10		HFCARM
CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000006511120	569062260	/nfs/dbraw/zinc/06/22/60/569062260.db2.gz	LHPGDGPTUNXWLV-JXAWBTAJSA-N	-1	0	406.442	2.747	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c4ccccc4n(C)c3C(=O)[O-])CC2)cc1	ZINC000036354727	569148078	/nfs/dbraw/zinc/14/80/78/569148078.db2.gz	MBFJHTGEBKNONP-NRFANRHFSA-N	-1	0	423.469	2.833	50	10		HFCARM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C(C)=O)C2=O)SC1=S	ZINC000008821628	571121625	/nfs/dbraw/zinc/12/16/25/571121625.db2.gz	ZEYDOJRYGVGEBR-FARYLTDUSA-N	-1	0	418.496	2.795	50	10		HFCARM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)NCc1ccccc1Cl	ZINC000009641679	571275915	/nfs/dbraw/zinc/27/59/15/571275915.db2.gz	VJMGFUDQNIKFEA-UHFFFAOYSA-N	-1	0	415.862	2.740	50	10		HFCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C1=O	ZINC000000830928	132234130	/nfs/dbraw/zinc/23/41/30/132234130.db2.gz	WUOIMSMQBJHZEQ-WJDWOHSUSA-N	-1	0	403.394	2.976	50	10	biogenic	HFCARM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000002250545	132250431	/nfs/dbraw/zinc/25/04/31/132250431.db2.gz	QYEYNONOEONNJO-LFIBNONCSA-N	-1	0	424.409	2.547	50	10		HFCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000004739032	132286297	/nfs/dbraw/zinc/28/62/97/132286297.db2.gz	GCGKMNXRDHXCTM-LFIBNONCSA-N	-1	0	412.467	2.934	50	10		HFCARM
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000006421471	132310927	/nfs/dbraw/zinc/31/09/27/132310927.db2.gz	XCZRHKFNZLSPJG-RIYZIHGNSA-N	-1	0	416.430	2.683	50	10		HFCARM
CC(=O)NCCc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[nH]c2ccccc21	ZINC000002368133	534456736	/nfs/dbraw/zinc/45/67/36/534456736.db2.gz	ZSXIMKVUMTUPTD-AQTBWJFISA-N	-1	0	416.437	2.513	50	10		HFCARM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C1=O)OCO2	ZINC000012363395	536888794	/nfs/dbraw/zinc/88/87/94/536888794.db2.gz	ABDYBZXPCVEXTB-AUWJEWJLSA-N	-1	0	410.451	2.872	50	10		HFCARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004062688	557508978	/nfs/dbraw/zinc/50/89/78/557508978.db2.gz	LBBSTUFZLPYFGT-UHFFFAOYSA-N	-1	0	407.403	2.961	50	10		HFCARM
COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC	ZINC000013041645	558507666	/nfs/dbraw/zinc/50/76/66/558507666.db2.gz	WSGJCIBYMHLTOI-SNVBAGLBSA-N	-1	0	410.517	2.790	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1O	ZINC000014010805	558613213	/nfs/dbraw/zinc/61/32/13/558613213.db2.gz	XMHNOIPFJHKMDQ-JYRVWZFOSA-N	-1	0	417.215	2.830	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N1	ZINC000001175053	560727583	/nfs/dbraw/zinc/72/75/83/560727583.db2.gz	CALXGNQGOWJWKA-UHFFFAOYSA-N	-1	0	419.206	2.917	50	10		HFCARM
COc1ccccc1N=Cc1c(C)[n-]n(-c2ccc3nnc(C(F)(F)F)n3n2)c1=O	ZINC000101644618	560797585	/nfs/dbraw/zinc/79/75/85/560797585.db2.gz	VSLOMEAMLLSCGC-PKNBQFBNSA-N	-1	0	417.351	2.870	50	10		HFCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@@H](C)c3ccccc3)C2=O)cc1OC	ZINC000020291303	568597824	/nfs/dbraw/zinc/59/78/24/568597824.db2.gz	IKEIJVHFXZTZRT-LSVCFVEQSA-N	-1	0	423.469	2.559	50	10		HFCARM
CCCCCCN1C(=O)[N-]C(=O)/C(=C/c2[nH]c3ccccc3c2CCNC(C)=O)C1=O	ZINC000009034137	571212961	/nfs/dbraw/zinc/21/29/61/571212961.db2.gz	XNHULWZFRBNBAV-JXAWBTAJSA-N	-1	0	424.501	2.889	50	10	biogenic	HFCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1	ZINC000009087088	571219769	/nfs/dbraw/zinc/21/97/69/571219769.db2.gz	XETITEXRUFBVRH-CWDSQJGSSA-N	-1	0	423.448	2.619	50	10		HFCARM
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000001131190	132238378	/nfs/dbraw/zinc/23/83/78/132238378.db2.gz	IGNZLKDIPLRYDB-XMHGGMMESA-N	-1	0	407.495	2.663	50	10		HFCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000001186321	132241220	/nfs/dbraw/zinc/24/12/20/132241220.db2.gz	GPMWGQQAWOXGAQ-AWNIVKPZSA-N	-1	0	415.199	2.844	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(OC)c3O)C2=O)cc1	ZINC000001201969	132242134	/nfs/dbraw/zinc/24/21/34/132242134.db2.gz	XWVBMDOEXWSBCP-RIYZIHGNSA-N	-1	0	402.790	2.729	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1O	ZINC000004690351	132283610	/nfs/dbraw/zinc/28/36/10/132283610.db2.gz	IGVGBJUYIOTSTR-RIYZIHGNSA-N	-1	0	412.467	2.858	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1O	ZINC000004690246	132283695	/nfs/dbraw/zinc/28/36/95/132283695.db2.gz	CVVYOBHZWFHTFA-RIYZIHGNSA-N	-1	0	412.467	2.858	50	10		HFCARM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000001215021	535690170	/nfs/dbraw/zinc/69/01/70/535690170.db2.gz	PUGBBKUWCTZSLH-UNOMPAQXSA-N	-1	0	422.437	2.912	50	10		HFCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)cc1	ZINC000002878715	536657771	/nfs/dbraw/zinc/65/77/71/536657771.db2.gz	BREJBJIXVCUOQY-XYOKQWHBSA-N	-1	0	407.245	2.882	50	10		HFCARM
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000001101008	557179135	/nfs/dbraw/zinc/17/91/35/557179135.db2.gz	UDOZZFJPASXCKO-UHFFFAOYSA-N	-1	0	411.483	2.699	50	10		HFCARM
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000013689616	558571807	/nfs/dbraw/zinc/57/18/07/558571807.db2.gz	MWGURFZHAUURNE-NTUHNPAUSA-N	-1	0	420.468	2.639	50	10		HFCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC	ZINC000013773551	558868042	/nfs/dbraw/zinc/86/80/42/558868042.db2.gz	NZFHTYHKCVCZCY-NVNXTCNLSA-N	-1	0	414.389	2.514	50	10		HFCARM
CCCN1C(=O)C(=CNc2sc3c(c2C(=O)OCC)CCCC3)C(=O)NC1=S	ZINC000102908563	560835192	/nfs/dbraw/zinc/83/51/92/560835192.db2.gz	YPTUSWLXVJMWGF-BENRWUELSA-N	-1	0	421.544	2.753	50	10		HFCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(OC)c1OC	ZINC000015799792	560856255	/nfs/dbraw/zinc/85/62/55/560856255.db2.gz	UQTZQPITSMNIEQ-ZRDIBKRKSA-N	-1	0	416.430	2.683	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Br)cc3)c2)C(=O)N1	ZINC000001175227	568821245	/nfs/dbraw/zinc/82/12/45/568821245.db2.gz	IGAMBUJSAUAMRA-UHFFFAOYSA-N	-1	0	401.216	2.778	50	10		HFCARM
COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1OCC(N)=O	ZINC000217664839	568903678	/nfs/dbraw/zinc/90/36/78/568903678.db2.gz	YGBOXRUJTNVTJW-UHFFFAOYSA-N	-1	0	420.381	2.808	50	10	biogenic	HFCARM
O=C([O-])COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O	ZINC000001922898	569059625	/nfs/dbraw/zinc/05/96/25/569059625.db2.gz	KTNQDOMOQIMZMR-GDNBJRDFSA-N	-1	0	414.464	2.696	50	10		HFCARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)c1	ZINC000007409990	569237130	/nfs/dbraw/zinc/23/71/30/569237130.db2.gz	YWIKUQWGFFPAJD-JTQLQIEISA-N	-1	0	410.517	2.790	50	10		HFCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000017044028	569272412	/nfs/dbraw/zinc/27/24/12/569272412.db2.gz	CCAKQCFQNBTLBJ-YBEGLDIGSA-N	-1	0	421.384	2.960	50	10		HFCARM
COc1cc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1	ZINC000005739990	132307921	/nfs/dbraw/zinc/30/79/21/132307921.db2.gz	SGXBJZCKXBISGR-UNOMPAQXSA-N	-1	0	409.442	2.577	50	10		HFCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O	ZINC000005967691	132308740	/nfs/dbraw/zinc/30/87/40/132308740.db2.gz	VCSPSDXHVQBXFG-VKAVYKQESA-N	-1	0	418.453	2.866	50	10		HFCARM
CN(C)c1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)NN2)cc1	ZINC000008997094	132334789	/nfs/dbraw/zinc/33/47/89/132334789.db2.gz	GZOSRQDSQMMEIM-QCPHZMBFSA-N	-1	0	409.421	2.808	50	10		HFCARM
COc1cc(OC)c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1	ZINC000015659343	132461830	/nfs/dbraw/zinc/46/18/30/132461830.db2.gz	QGVUHEPKHRHHGE-WJDWOHSUSA-N	-1	0	412.467	2.852	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1	ZINC000008766563	536657581	/nfs/dbraw/zinc/65/75/81/536657581.db2.gz	KXSKUVXLLSEZBU-NTUHNPAUSA-N	-1	0	402.790	2.934	50	10		HFCARM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)c1	ZINC000002968621	557774756	/nfs/dbraw/zinc/77/47/56/557774756.db2.gz	AQPOGMODOGSMGK-RVDMUPIBSA-N	-1	0	413.430	2.809	50	10		HFCARM
Cc1cc(C)nc(NN2C(=O)C(=Cc3ccccc3OCC(=O)[O-])SC2=S)n1	ZINC000016677392	558798891	/nfs/dbraw/zinc/79/88/91/558798891.db2.gz	OWTCEWVGCFZZAH-ZSOIEALJSA-N	-1	0	416.484	2.785	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c4ccccc4n(C)c3C(=O)[O-])CC2)cc1	ZINC000036354729	569148189	/nfs/dbraw/zinc/14/81/89/569148189.db2.gz	MBFJHTGEBKNONP-OAQYLSRUSA-N	-1	0	423.469	2.833	50	10		HFCARM
COc1cc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)cc(OC)c1OC	ZINC000002313799	569372903	/nfs/dbraw/zinc/37/29/03/569372903.db2.gz	OSKWUAOCMAIICQ-SITOFEAGSA-N	-1	0	414.439	2.693	50	10		HFCARM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1cc(F)ccc1F	ZINC000009641696	571275895	/nfs/dbraw/zinc/27/58/95/571275895.db2.gz	ODIPNAYNDZLZKM-UHFFFAOYSA-N	-1	0	403.370	2.687	50	10		HFCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1C	ZINC000001152963	132239290	/nfs/dbraw/zinc/23/92/90/132239290.db2.gz	AAZAJKAXRNLMBG-XSFVSMFZSA-N	-1	0	421.522	2.971	50	10		HFCARM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1	ZINC000001184207	132240957	/nfs/dbraw/zinc/24/09/57/132240957.db2.gz	RGYNCQTYKPZVRJ-GZTJUZNOSA-N	-1	0	410.426	2.996	50	10		HFCARM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000003004078	132261272	/nfs/dbraw/zinc/26/12/72/132261272.db2.gz	APLZIROLUIMCDC-KAMYIIQDSA-N	-1	0	413.430	2.746	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000004456496	132277322	/nfs/dbraw/zinc/27/73/22/132277322.db2.gz	MRKSXRBLCSZPIW-MLPAPPSSSA-N	-1	0	400.774	2.744	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O)c(OC)c3)C2=O)cc1	ZINC000005061651	132300108	/nfs/dbraw/zinc/30/01/08/132300108.db2.gz	KXSKUVXLLSEZBU-QPEQYQDCSA-N	-1	0	402.790	2.729	50	10		HFCARM
CCOc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)cc2c1	ZINC000012377927	558392554	/nfs/dbraw/zinc/39/25/54/558392554.db2.gz	CSXKXKFNUXVVBA-ZROIWOOFSA-N	-1	0	404.469	2.603	50	10		HFCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCCOc1ccc(C)c(C)c1	ZINC000013899247	558601022	/nfs/dbraw/zinc/60/10/22/558601022.db2.gz	IUBHUGUJFUOORS-UHFFFAOYSA-N	-1	0	424.453	2.909	50	10		HFCARM
O=S(=O)([N-]c1ccc(I)cc1)c1cccc2nonc21	ZINC000014254450	558651015	/nfs/dbraw/zinc/65/10/15/558651015.db2.gz	CTRHJENKJWWXSS-UHFFFAOYSA-N	-1	0	401.185	2.628	50	10		HFCARM
COc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000016194812	558777885	/nfs/dbraw/zinc/77/78/85/558777885.db2.gz	LWEHMBJRAMNNCW-JYRVWZFOSA-N	-1	0	403.232	2.928	50	10		HFCARM
COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCN(CCO)CC3)c2=O)cc1	ZINC000020437974	568607249	/nfs/dbraw/zinc/60/72/49/568607249.db2.gz	VBTWBIDBUALKNB-UHFFFAOYSA-N	-1	0	424.497	2.593	50	10	biogenic	HFCARM
COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CC2)cc1	ZINC000008345702	568994403	/nfs/dbraw/zinc/99/44/03/568994403.db2.gz	NXGZLMIWZJGGJJ-UHFFFAOYSA-N	-1	0	410.879	2.558	50	10		HFCARM
O=C([O-])c1cc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)ccc1O	ZINC000001839984	569056435	/nfs/dbraw/zinc/05/64/35/569056435.db2.gz	OOTQBUQCPFRHKL-NTUHNPAUSA-N	-1	0	420.493	2.992	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)cc1	ZINC000036359014	569150426	/nfs/dbraw/zinc/15/04/26/569150426.db2.gz	KVTUBALDTLRWCK-QFIPXVFZSA-N	-1	0	423.469	2.682	50	10		HFCARM
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(C)c4cc(C(=O)[O-])ccc34)CC2)cc1	ZINC000036360053	569151408	/nfs/dbraw/zinc/15/14/08/569151408.db2.gz	LYZNNNPGUCUSHT-NRFANRHFSA-N	-1	0	423.469	2.833	50	10		HFCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC	ZINC000009332797	571248765	/nfs/dbraw/zinc/24/87/65/571248765.db2.gz	NZFHTYHKCVCZCY-OVCLIPMQSA-N	-1	0	414.389	2.514	50	10		HFCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000009335066	132232694	/nfs/dbraw/zinc/23/26/94/132232694.db2.gz	FSLFDELMKSLEQT-VAKPMEJFSA-N	-1	0	423.381	2.835	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000004509464	132277926	/nfs/dbraw/zinc/27/79/26/132277926.db2.gz	YWDDNDQPRKGCBD-GDNBJRDFSA-N	-1	0	411.370	2.669	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000004674739	132282073	/nfs/dbraw/zinc/28/20/73/132282073.db2.gz	XRPHWIQQRLSBCL-GZTJUZNOSA-N	-1	0	401.378	2.872	50	10		HFCARM
CCc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)[N-]C2=S)cc1	ZINC000004723941	132285938	/nfs/dbraw/zinc/28/59/38/132285938.db2.gz	OFBIFOUNUHZDPI-NVNXTCNLSA-N	-1	0	410.451	2.818	50	10		HFCARM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1	ZINC000001206580	557241249	/nfs/dbraw/zinc/24/12/49/557241249.db2.gz	GXTALSDBZCJOPU-UHFFFAOYSA-N	-1	0	419.206	2.917	50	10		HFCARM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\C=C\c1ccco1	ZINC000015836842	558755876	/nfs/dbraw/zinc/75/58/76/558755876.db2.gz	UQGKRYHUKJZZPI-NQDFZQDQSA-N	-1	0	406.179	2.902	50	10		HFCARM
CCN1C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)NC1=S	ZINC000100274686	559190694	/nfs/dbraw/zinc/19/06/94/559190694.db2.gz	LTWSDCIOJGBPLK-UITAMQMPSA-N	-1	0	406.099	2.995	50	10		HFCARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1	ZINC000000726019	568467582	/nfs/dbraw/zinc/46/75/82/568467582.db2.gz	UUAPKQDNABVPNH-XNTDXEJSSA-N	-1	0	420.206	2.761	50	10		HFCARM
CN(C)c1ccc(/C=C2/SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc1	ZINC000001300999	568913129	/nfs/dbraw/zinc/91/31/29/568913129.db2.gz	HFRLWCGGDTXLPU-FOWTUZBSSA-N	-1	0	419.553	2.847	50	10		HFCARM
O=C([O-])CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S	ZINC000009310687	571247219	/nfs/dbraw/zinc/24/72/19/571247219.db2.gz	YQAUOYGQEDXDGW-MSUUIHNZSA-N	-1	0	410.476	2.889	50	10		HFCARM
CCN1CCN(c2cc(NCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000002457330	132254983	/nfs/dbraw/zinc/25/49/83/132254983.db2.gz	RRSMVAZHEVQJRG-UHFFFAOYSA-N	-1	0	406.442	2.678	50	10		HFCARM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000004571386	132278897	/nfs/dbraw/zinc/27/88/97/132278897.db2.gz	USGIZGNZBYCYBD-AQTBWJFISA-N	-1	0	407.426	2.596	50	10		HFCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1	ZINC000006784050	132316322	/nfs/dbraw/zinc/31/63/22/132316322.db2.gz	JDPBEEKDESJNQW-PDGQHHTCSA-N	-1	0	408.414	2.623	50	10		HFCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009262720	132337749	/nfs/dbraw/zinc/33/77/49/132337749.db2.gz	OZQWBLYMDZHVTN-VZUCSPMQSA-N	-1	0	415.745	2.643	50	10		HFCARM
O=C([O-])CCCn1c(/C=C/c2cnc(N3CCCC3)nc2)nc2ccccc2c1=O	ZINC000044026678	527588729	/nfs/dbraw/zinc/58/87/29/527588729.db2.gz	BJDCEAITODVDHD-MDZDMXLPSA-N	-1	0	405.458	2.822	50	10		HFCARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000002973237	535690266	/nfs/dbraw/zinc/69/02/66/535690266.db2.gz	IEKHRYFZNCLADE-XDHOZWIPSA-N	-1	0	422.437	2.912	50	10		HFCARM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2	ZINC000004724069	536889267	/nfs/dbraw/zinc/88/92/67/536889267.db2.gz	CKCGGZVTBIZRQR-CHHVJCJISA-N	-1	0	410.451	2.872	50	10		HFCARM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(I)cc1	ZINC000001170612	557223787	/nfs/dbraw/zinc/22/37/87/557223787.db2.gz	CUQAWNYZVBUVKA-RIYZIHGNSA-N	-1	0	407.211	2.879	50	10		HFCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1Cn1nc(C)cc1C	ZINC000017091107	558819747	/nfs/dbraw/zinc/81/97/47/558819747.db2.gz	QRKKUDSRMOUMAK-PXNMLYILSA-N	-1	0	417.512	2.843	50	10		HFCARM
COc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)[O-])c1O	ZINC000080316173	559022069	/nfs/dbraw/zinc/02/20/69/559022069.db2.gz	YHOQPQIREBXUEO-HNNXBMFYSA-N	-1	0	412.398	2.672	50	10		HFCARM
Cc1[n-]n(-c2ccc3nncn3n2)c(=O)c1C=Nc1ccc(Br)cc1F	ZINC000101061320	560768801	/nfs/dbraw/zinc/76/88/01/560768801.db2.gz	IIRSYKNWMDOUJW-YRNVUSSQSA-N	-1	0	416.214	2.744	50	10		HFCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000000759608	568472738	/nfs/dbraw/zinc/47/27/38/568472738.db2.gz	MRKSXRBLCSZPIW-AWNIVKPZSA-N	-1	0	400.774	2.744	50	10		HFCARM
O=C([O-])c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1	ZINC000035648316	569047135	/nfs/dbraw/zinc/04/71/35/569047135.db2.gz	DCJBXLYATWWPGV-ZSOIEALJSA-N	-1	0	400.437	2.637	50	10		HFCARM
O=C(NN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S)c1ccccc1	ZINC000036207467	569109665	/nfs/dbraw/zinc/10/96/65/569109665.db2.gz	ALNQVOKLTQHKBV-NTEUORMPSA-N	-1	0	401.425	2.847	50	10		HFCARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009951520	571291571	/nfs/dbraw/zinc/29/15/71/571291571.db2.gz	VHFDKMZLBOBJRC-UHFFFAOYSA-N	-1	0	424.479	2.767	50	10		HFCARM