smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1CCC(=O)[O-]	ZINC000032107154	520504782	/nfs/dbraw/zinc/50/47/82/520504782.db2.gz	CYVYZHHMNYWKES-NRFANRHFSA-N	-1	0	417.461	3.835	40	30		HHEBRM
CN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(Cl)cc1	ZINC000015188417	523724782	/nfs/dbraw/zinc/72/47/82/523724782.db2.gz	YKOOCCZWDQZPOR-GYKMOOBXSA-N	-1	0	417.874	3.628	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1	ZINC000408529069	557294167	/nfs/dbraw/zinc/29/41/67/557294167.db2.gz	BZBFFXSRJAZWIK-HNNXBMFYSA-N	-1	0	414.259	3.667	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1Cl	ZINC000408533258	557316702	/nfs/dbraw/zinc/31/67/02/557316702.db2.gz	JRXBVFWXGQFXKQ-LBPRGKRZSA-N	-1	0	409.751	3.960	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000408537259	557338198	/nfs/dbraw/zinc/33/81/98/557338198.db2.gz	UUQLBTHVRRUACN-AWEZNQCLSA-N	-1	0	420.650	3.704	40	30		HHEBRM
CC(=O)c1ccc(N=Cc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000005379235	557649659	/nfs/dbraw/zinc/64/96/59/557649659.db2.gz	HLCBADOXDOLFLP-MNZIXWNWSA-N	-1	0	404.382	3.920	40	30		HHEBRM
CCn1c2ccccc2[nH]c1=NN=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000408692088	557707942	/nfs/dbraw/zinc/70/79/42/557707942.db2.gz	DCRUEBZMJNGNJU-GIJQJNRQSA-N	-1	0	404.224	3.879	40	30		HHEBRM
CCOc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408742746	557808858	/nfs/dbraw/zinc/80/88/58/557808858.db2.gz	SMFIMXIZEBHUEV-XYHOIZSOSA-N	-1	0	401.875	3.505	40	30		HHEBRM
O=C1/C(=N/N=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2N1Cc1ccccc1	ZINC000036237498	557844426	/nfs/dbraw/zinc/84/44/26/557844426.db2.gz	FKWGZQUDVCVAIE-LVPJLCKRSA-N	-1	0	400.394	3.670	40	30		HHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1Br	ZINC000100149404	559130748	/nfs/dbraw/zinc/13/07/48/559130748.db2.gz	AMPVQSRQIMEIDP-CYVLTUHYSA-N	-1	0	402.208	3.548	40	30		HHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N\[N-]c1nc(C)c(C(C)=O)s1	ZINC000104302387	559160119	/nfs/dbraw/zinc/16/01/19/559160119.db2.gz	HAGYLYAKAZORDG-YNBGFKIQSA-N	-1	0	401.517	3.886	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl	ZINC000408807627	560643532	/nfs/dbraw/zinc/64/35/32/560643532.db2.gz	DJFMIQSWJGWKFW-LFIBNONCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Cl	ZINC000408817229	560644689	/nfs/dbraw/zinc/64/46/89/560644689.db2.gz	ZZGYRGZZBVDULH-LFIBNONCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408814595	560645186	/nfs/dbraw/zinc/64/51/86/560645186.db2.gz	VUMYLGWNUNQVLJ-LICLKQGHSA-N	-1	0	412.829	3.580	40	30		HHEBRM
COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)S1	ZINC000408850101	560647016	/nfs/dbraw/zinc/64/70/16/560647016.db2.gz	FZYSOYODYZUYOP-PXNMLYILSA-N	-1	0	418.858	3.704	40	30		HHEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408968251	560659487	/nfs/dbraw/zinc/65/94/87/560659487.db2.gz	XPIKCOOLGXIHBW-FSJBWODESA-N	-1	0	422.397	3.722	40	30		HHEBRM
COc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1[N+](=O)[O-]	ZINC000409061188	560672810	/nfs/dbraw/zinc/67/28/10/560672810.db2.gz	BUCOJPYRWRABOU-IXMFVRRYSA-N	-1	0	413.411	3.535	40	30		HHEBRM
C=CCOc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c1	ZINC000409338064	560712420	/nfs/dbraw/zinc/71/24/20/560712420.db2.gz	CGSXEPXGJPFBIB-RVDMUPIBSA-N	-1	0	402.522	3.859	40	30		HHEBRM
C#CCOc1c(Cl)cc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc1OC	ZINC000213385415	569363336	/nfs/dbraw/zinc/36/33/36/569363336.db2.gz	ODLJVGLZLSLOHQ-UVTDQMKNSA-N	-1	0	407.879	3.649	40	30		HHEBRM
COc1cccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(Cl)c3)nc2C(=O)[O-])c1	ZINC000409205213	569386964	/nfs/dbraw/zinc/38/69/64/569386964.db2.gz	ORQZZWXEDRXGBU-CLFYSBASSA-N	-1	0	421.840	3.943	40	30		HHEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OC	ZINC000208530629	970018457	/nfs/dbraw/zinc/01/84/57/970018457.db2.gz	YBCXBQHCYBZKLC-UYRXBGFRSA-N	-1	0	420.465	3.661	40	30		HHEBRM
N#Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)sc2c1CCCC2	ZINC000005768671	132307901	/nfs/dbraw/zinc/30/79/01/132307901.db2.gz	LLADPNQTYVONSH-ZROIWOOFSA-N	-1	0	411.870	3.818	40	30		HHEBRM
CCOC(=O)/C(Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1)=N\[O-]	ZINC000017005333	520397702	/nfs/dbraw/zinc/39/77/02/520397702.db2.gz	SVLYNERYHMQETB-XHPQRKPJSA-N	-1	0	421.453	3.570	40	30		HHEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1	ZINC000408535956	557325751	/nfs/dbraw/zinc/32/57/51/557325751.db2.gz	PGIRDINNVMQFBD-OAHLLOKOSA-N	-1	0	406.225	3.604	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000408536487	557340457	/nfs/dbraw/zinc/34/04/57/557340457.db2.gz	RQYMWTFWDBSQPR-AWEZNQCLSA-N	-1	0	409.751	3.960	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3cccc(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000408754570	557816563	/nfs/dbraw/zinc/81/65/63/557816563.db2.gz	NXQOZIFITSDHNP-ANQVYJHKSA-N	-1	0	416.300	3.524	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1[O-]	ZINC000016401461	558790047	/nfs/dbraw/zinc/79/00/47/558790047.db2.gz	WZZDZTGYHQUJDV-RGVLZGJSSA-N	-1	0	420.263	3.646	40	30		HHEBRM
N#Cc1c(SCC(=O)Nc2ccc(F)c(Cl)c2)sc2c1[nH]c(=O)cc2[O-]	ZINC000013568727	558843802	/nfs/dbraw/zinc/84/38/02/558843802.db2.gz	NCAJYJFBXYJBGF-UHFFFAOYSA-N	-1	0	409.851	3.690	40	30		HHEBRM
O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1cccs1	ZINC000085409733	559056828	/nfs/dbraw/zinc/05/68/28/559056828.db2.gz	VTJFBOALWGFTQH-CQSZACIVSA-N	-1	0	413.436	3.896	40	30		HHEBRM
O=C1C(=O)N(c2nccs2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1cccs1	ZINC000085409782	559056882	/nfs/dbraw/zinc/05/68/82/559056882.db2.gz	SZYYOYDIJCQPNT-CQSZACIVSA-N	-1	0	413.436	3.896	40	30		HHEBRM
C/C(=N\N=C1/C(=O)Nc2ccccc21)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370315	559134612	/nfs/dbraw/zinc/13/46/12/559134612.db2.gz	SGWAQZQVRJVNIZ-JFLMPSFJSA-N	-1	0	422.444	3.862	40	30	biogenic,in-vitro	HHEBRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc(C)c(Br)c1	ZINC000100586144	559136866	/nfs/dbraw/zinc/13/68/66/559136866.db2.gz	KLJRSSUSEUBRQG-SILNSSARSA-N	-1	0	416.235	3.856	40	30		HHEBRM
CCOC(=O)/C(Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1)=N/[O-]	ZINC000102872970	559153327	/nfs/dbraw/zinc/15/33/27/559153327.db2.gz	SVLYNERYHMQETB-LGUFXXKBSA-N	-1	0	421.453	3.570	40	30		HHEBRM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408759040	559271615	/nfs/dbraw/zinc/27/16/15/559271615.db2.gz	WVPKJKGPDVHWEC-JVMBGAFUSA-N	-1	0	408.527	3.608	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	ZINC000408789239	560641600	/nfs/dbraw/zinc/64/16/00/560641600.db2.gz	KSUWWTOZIVNDHV-CPNJWEJPSA-N	-1	0	420.465	3.933	40	30		HHEBRM
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1	ZINC000408829455	560645723	/nfs/dbraw/zinc/64/57/23/560645723.db2.gz	XFKPIKIDAARCSS-SRZZPIQSSA-N	-1	0	418.858	3.919	40	30		HHEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1	ZINC000408960385	560657929	/nfs/dbraw/zinc/65/79/29/560657929.db2.gz	LHJVEIYJXJDQOX-ZMOGYAJESA-N	-1	0	400.390	3.594	40	30		HHEBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1[O-]	ZINC000408960599	560657942	/nfs/dbraw/zinc/65/79/42/560657942.db2.gz	HDCDRTBNGUJILR-OVCLIPMQSA-N	-1	0	403.391	3.730	40	30		HHEBRM
CCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)c1	ZINC000409067227	560672444	/nfs/dbraw/zinc/67/24/44/560672444.db2.gz	PSTWGSVLOLIZEA-UHFFFAOYSA-N	-1	0	409.482	3.973	40	30		HHEBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)c1	ZINC000409366661	560716474	/nfs/dbraw/zinc/71/64/74/560716474.db2.gz	UEGZILAPFUQSLI-UHFFFAOYSA-N	-1	0	409.785	3.596	40	30		HHEBRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Br	ZINC000013574733	560814619	/nfs/dbraw/zinc/81/46/19/560814619.db2.gz	PAKMABAUKZBOOW-CYVLTUHYSA-N	-1	0	402.208	3.548	40	30		HHEBRM
COc1ccc(/C=N/N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])SC2=S)cc1	ZINC000003166790	568858996	/nfs/dbraw/zinc/85/89/96/568858996.db2.gz	NUUJPEYAQVPDIO-KPUGQTCVSA-N	-1	0	415.452	3.544	40	30		HHEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(OCC)c1OC	ZINC000015013889	569004414	/nfs/dbraw/zinc/00/44/14/569004414.db2.gz	JVKSZUVXOUXSTN-AQTBWJFISA-N	-1	0	412.486	3.617	40	30		HHEBRM
N=C1SC(=Cc2ccc(I)o2)C([O-])=C1c1nccs1	ZINC000013045050	569362213	/nfs/dbraw/zinc/36/22/13/569362213.db2.gz	DZDBAHKTPVKZBZ-PNNFAKIXSA-N	-1	0	402.238	3.759	40	30		HHEBRM
C=CCc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(OC)c1O	ZINC000108007546	569362799	/nfs/dbraw/zinc/36/27/99/569362799.db2.gz	DEMPZEFDEILIJA-GIWXBQODSA-N	-1	0	401.513	3.961	40	30		HHEBRM
N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1	ZINC000409015485	569386496	/nfs/dbraw/zinc/38/64/96/569386496.db2.gz	NIHZFMRYQKQWIQ-LFIBNONCSA-N	-1	0	417.421	3.789	40	30		HHEBRM
COc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1	ZINC000409193224	569386683	/nfs/dbraw/zinc/38/66/83/569386683.db2.gz	FTUUXBONLRONJC-WCIBSUBMSA-N	-1	0	407.813	3.635	40	30		HHEBRM
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1CCC(=O)[O-]	ZINC000032107151	520504939	/nfs/dbraw/zinc/50/49/39/520504939.db2.gz	CYVYZHHMNYWKES-OAQYLSRUSA-N	-1	0	417.461	3.835	40	30		HHEBRM
COc1ccc(/C=N\[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1O	ZINC000031669900	523459327	/nfs/dbraw/zinc/45/93/27/523459327.db2.gz	BHWIGKCYMHCEOW-WSVATBPTSA-N	-1	0	409.678	3.673	40	30		HHEBRM
CN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(Cl)cc1	ZINC000015188419	523726325	/nfs/dbraw/zinc/72/63/25/523726325.db2.gz	YKOOCCZWDQZPOR-BIDVBJRCSA-N	-1	0	417.874	3.628	40	30		HHEBRM
O=c1[nH]ncc(NN=Cc2cc(Br)c([O-])c(Br)c2)c1Cl	ZINC000040194263	526381639	/nfs/dbraw/zinc/38/16/39/526381639.db2.gz	QLDFRJJDOQQCPD-CQPUUCJISA-N	-1	0	422.464	3.512	40	30		HHEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000408528649	557292068	/nfs/dbraw/zinc/29/20/68/557292068.db2.gz	BQTYHZKTOYMVSG-HNNXBMFYSA-N	-1	0	406.225	3.604	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408536186	557328554	/nfs/dbraw/zinc/32/85/54/557328554.db2.gz	QDZNVXPSOKTBPS-CQSZACIVSA-N	-1	0	420.650	3.704	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1C(F)(F)F	ZINC000408536337	557330239	/nfs/dbraw/zinc/33/02/39/557330239.db2.gz	QYDVJPAODKMTBC-LBPRGKRZSA-N	-1	0	409.751	3.960	40	30		HHEBRM
COc1cc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000016914512	558809213	/nfs/dbraw/zinc/80/92/13/558809213.db2.gz	URGQTGNTKKSFDI-FHXOWUIVSA-N	-1	0	412.467	3.747	40	30		HHEBRM
N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2F)sc2c1[nH]c(=O)cc2[O-]	ZINC000013990375	559129874	/nfs/dbraw/zinc/12/98/74/559129874.db2.gz	TVSMTDYAOSUDBW-UHFFFAOYSA-N	-1	0	409.851	3.690	40	30		HHEBRM
CSc1ccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1	ZINC000004945701	560617004	/nfs/dbraw/zinc/61/70/04/560617004.db2.gz	UXTDNGVQHWCJQQ-UHFFFAOYSA-N	-1	0	403.510	3.620	40	30		HHEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408967128	560659330	/nfs/dbraw/zinc/65/93/30/560659330.db2.gz	SLDQMLODZWCINK-MHWRWJLKSA-N	-1	0	415.427	3.599	40	30		HHEBRM
COc1cc(/C=N/[O-])cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066192	560672250	/nfs/dbraw/zinc/67/22/50/560672250.db2.gz	KJAAWGIBDFHUIE-CAOOACKPSA-N	-1	0	420.668	3.687	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC	ZINC000409221050	560698760	/nfs/dbraw/zinc/69/87/60/560698760.db2.gz	JZVWGVJTTOUPQE-SFQUDFHCSA-N	-1	0	422.506	3.572	40	30		HHEBRM
C[C@@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-]	ZINC000409406620	560722279	/nfs/dbraw/zinc/72/22/79/560722279.db2.gz	XYABZDJANIJKLF-MRXNPFEDSA-N	-1	0	413.433	3.798	40	30		HHEBRM
O=C([O-])c1ccc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)cc1	ZINC000003050029	568849961	/nfs/dbraw/zinc/84/99/61/568849961.db2.gz	YMTJDUWSNYIWMG-GFCCVEGCSA-N	-1	0	411.176	3.518	40	30		HHEBRM
CCCCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000108191532	569362929	/nfs/dbraw/zinc/36/29/29/569362929.db2.gz	BPYQSHQEOPZLKD-UHFFFAOYSA-N	-1	0	408.882	3.837	40	30		HHEBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3sc4c(c3C#N)CCCC4)C2=O)c1	ZINC000408526452	569385806	/nfs/dbraw/zinc/38/58/06/569385806.db2.gz	CATMBZADJPNELV-LFIBNONCSA-N	-1	0	420.494	3.694	40	30		HHEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2cc(Br)ccc2OC)c1[N+](=O)[O-]	ZINC000409196101	569386727	/nfs/dbraw/zinc/38/67/27/569386727.db2.gz	SWESFZQTJGKXCL-HWKANZROSA-N	-1	0	420.219	3.655	40	30		HHEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(OC)c(Br)c2)c1[N+](=O)[O-]	ZINC000409198687	569386844	/nfs/dbraw/zinc/38/68/44/569386844.db2.gz	CXNQJWULBDQSHM-HWKANZROSA-N	-1	0	420.219	3.655	40	30		HHEBRM
CC(=O)N1CCc2cc(N=Nc3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)ccc21	ZINC000009096873	569391618	/nfs/dbraw/zinc/39/16/18/569391618.db2.gz	VDXHDLPMTCUQEO-PNHLSOANSA-N	-1	0	423.476	3.815	40	30		HHEBRM
CC/N=C1\S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)C(=O)N1CC	ZINC000015013741	520207950	/nfs/dbraw/zinc/20/79/50/520207950.db2.gz	SGMSBLRHJVGASC-SOBFFKKOSA-N	-1	0	412.895	3.514	40	30		HHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000101651803	520897175	/nfs/dbraw/zinc/89/71/75/520897175.db2.gz	ZAKYRWDOURFLLD-QLYXXIJNSA-N	-1	0	408.417	3.653	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Br)cn2)c1	ZINC000038186421	527325935	/nfs/dbraw/zinc/32/59/35/527325935.db2.gz	RQJNKGYHGDJMMA-PJQLUOCWSA-N	-1	0	401.014	3.971	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Br)c1	ZINC000408532617	557314939	/nfs/dbraw/zinc/31/49/39/557314939.db2.gz	INHOKKWLXCLXBU-CQSZACIVSA-N	-1	0	420.650	3.704	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2cccnc21	ZINC000408742042	557808884	/nfs/dbraw/zinc/80/88/84/557808884.db2.gz	OYHOUQHDWZNVPN-QCXKMSLLSA-N	-1	0	408.870	3.655	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(Br)cc3)C(=O)[N-]C2=S)cc1	ZINC000408753905	557816510	/nfs/dbraw/zinc/81/65/10/557816510.db2.gz	KYZAYXKFEAZTEO-RKQRPNFGSA-N	-1	0	416.300	3.524	40	30		HHEBRM
Cc1cc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1	ZINC000004866961	560614184	/nfs/dbraw/zinc/61/41/84/560614184.db2.gz	XRCWLYFDMOTDQX-FYJGNVAPSA-N	-1	0	412.471	3.623	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl	ZINC000408818527	560644806	/nfs/dbraw/zinc/64/48/06/560644806.db2.gz	YIEUEWYXGFLKOL-LFIBNONCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
COc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OC	ZINC000408933017	560655835	/nfs/dbraw/zinc/65/58/35/560655835.db2.gz	GRFBIXLBJGILCD-ZSMCLDEPSA-N	-1	0	412.467	3.944	40	30		HHEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1[O-]	ZINC000409037264	560668877	/nfs/dbraw/zinc/66/88/77/560668877.db2.gz	SZQNCSLQCVDOON-UHFFFAOYSA-N	-1	0	412.442	3.742	40	30		HHEBRM
O=C([O-])COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl	ZINC000409068357	560672572	/nfs/dbraw/zinc/67/25/72/560672572.db2.gz	QZFCJTZRXOCYSU-UHFFFAOYSA-N	-1	0	402.830	3.931	40	30		HHEBRM
O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1[O-]	ZINC000409069863	560673130	/nfs/dbraw/zinc/67/31/30/560673130.db2.gz	AWMRVUBJGUBMFS-PTXOJBNSSA-N	-1	0	405.130	3.923	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)c1[O-]	ZINC000409107442	560678687	/nfs/dbraw/zinc/67/86/87/560678687.db2.gz	PVPJVOJRPIYTCV-IPKBDRFQSA-N	-1	0	405.130	3.923	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409248598	560701849	/nfs/dbraw/zinc/70/18/49/560701849.db2.gz	HHCZIODIZRDADY-GPLLRDDGSA-N	-1	0	412.467	3.747	40	30		HHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)cc1	ZINC000254488228	568756597	/nfs/dbraw/zinc/75/65/97/568756597.db2.gz	JVKLYNSQJNELIP-UHFFFAOYSA-N	-1	0	405.277	3.967	40	30		HHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1Br	ZINC000012625447	569043062	/nfs/dbraw/zinc/04/30/62/569043062.db2.gz	AMPVQSRQIMEIDP-XDJHFCHBSA-N	-1	0	402.208	3.548	40	30		HHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000008182959	569339807	/nfs/dbraw/zinc/33/98/07/569339807.db2.gz	JJAIAKNXGZMXCX-RGVLZGJSSA-N	-1	0	413.459	3.881	40	30		HHEBRM
COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000005260061	557642413	/nfs/dbraw/zinc/64/24/13/557642413.db2.gz	FZROJHQDELHKJC-ZHACJKMWSA-N	-1	0	415.496	3.761	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2cnccc21	ZINC000408742284	557808864	/nfs/dbraw/zinc/80/88/64/557808864.db2.gz	QNDQWOVCTPERQF-IMQYADFFSA-N	-1	0	408.870	3.655	40	30		HHEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408760245	559275919	/nfs/dbraw/zinc/27/59/19/559275919.db2.gz	VJGCMHWWHPSADE-NVNXTCNLSA-N	-1	0	414.399	3.663	40	30		HHEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1F	ZINC000004953165	560617166	/nfs/dbraw/zinc/61/71/66/560617166.db2.gz	BCGJGTSOXYSSNX-IWGBCORSSA-N	-1	0	409.413	3.668	40	30		HHEBRM
COc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])c1	ZINC000004953154	560617195	/nfs/dbraw/zinc/61/71/95/560617195.db2.gz	MUCYQLFQEFNFNY-GNNUASRNSA-N	-1	0	421.449	3.538	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408802120	560642326	/nfs/dbraw/zinc/64/23/26/560642326.db2.gz	DGEMLPBLGYMDNA-XNTDXEJSSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408809124	560643886	/nfs/dbraw/zinc/64/38/86/560643886.db2.gz	KBOASZCSGHFPKW-SFQUDFHCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
C=CCc1cc(/C=N\c2cc([N+](=O)[O-])ccc2OC)cc(OC)c1OCC(=O)[O-]	ZINC000408850114	560647224	/nfs/dbraw/zinc/64/72/24/560647224.db2.gz	GGCBYTKIHRIYPI-NHDPSOOVSA-N	-1	0	400.387	3.555	40	30		HHEBRM
CCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccc(N(C)C)cc1	ZINC000408961115	560658125	/nfs/dbraw/zinc/65/81/25/560658125.db2.gz	AEHCOHBUDZRVDA-MORMLQEESA-N	-1	0	412.471	3.990	40	30		HHEBRM
COc1cc(/C=N/c2ccccc2)cc(I)c1OCC(=O)[O-]	ZINC000409212883	560695836	/nfs/dbraw/zinc/69/58/36/560695836.db2.gz	RLYMAXUYFOHMDR-GIJQJNRQSA-N	-1	0	411.195	3.514	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccc(OC)cc1	ZINC000013346493	560804793	/nfs/dbraw/zinc/80/47/93/560804793.db2.gz	BXIJLKGZOSRYPG-UHFFFAOYSA-N	-1	0	424.482	3.569	40	30		HHEBRM
COc1ccccc1-n1nc(C(=O)[O-])c(/C=C\c2ccccc2Cl)c(C#N)c1=O	ZINC000409205161	569386829	/nfs/dbraw/zinc/38/68/29/569386829.db2.gz	FTZGPSNCSBMODX-KHPPLWFESA-N	-1	0	407.813	3.635	40	30		HHEBRM
CCOc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(C)cc3)c(C#N)c2=O)cc1	ZINC000409204283	569386947	/nfs/dbraw/zinc/38/69/47/569386947.db2.gz	DOZJHVWBFPKMEG-JYRVWZFOSA-N	-1	0	401.422	3.680	40	30		HHEBRM
N#Cc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC3=NCCc4ccccc43)C2)cc1	ZINC000049590498	291258300	/nfs/dbraw/zinc/25/83/00/291258300.db2.gz	CGDKSQJVGICDQE-SFTDATJTSA-N	-1	0	415.493	3.547	40	30	biogenic,in-vitro	HHEBRM
N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000005899870	452920880	/nfs/dbraw/zinc/92/08/80/452920880.db2.gz	KRLOKAKLWXCTJM-UHFFFAOYSA-N	-1	0	411.310	3.945	40	30		HHEBRM
Cc1cccc(C(C)(C)C)c1NC(=O)C([O-])=C(c1cnc2ccccc2n1)[N+](=O)[O-]	ZINC000001629313	557277489	/nfs/dbraw/zinc/27/74/89/557277489.db2.gz	UQSVDDAHQADYIA-IBGZPJMESA-N	-1	0	406.442	3.761	40	30		HHEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1	ZINC000408537863	557350231	/nfs/dbraw/zinc/35/02/31/557350231.db2.gz	XUFZOKFGJJNUNP-CYBMUJFWSA-N	-1	0	406.225	3.604	40	30		HHEBRM
CCn1c2ccccc2[nH]c1=NN=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000408692164	557708148	/nfs/dbraw/zinc/70/81/48/557708148.db2.gz	FZKPXYJMODDSJX-GIJQJNRQSA-N	-1	0	404.224	3.879	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(Br)c1	ZINC000408739477	557805465	/nfs/dbraw/zinc/80/54/65/557805465.db2.gz	CFAHLYYJRRLDEG-RNDVCUHJSA-N	-1	0	416.300	3.524	40	30		HHEBRM
CO[C@]1([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2C(=O)C(Cl)=C1Cl	ZINC000000837128	559282264	/nfs/dbraw/zinc/28/22/64/559282264.db2.gz	FAJWYJXYEQZDGW-GOSISDBHSA-N	-1	0	412.294	3.658	40	30		HHEBRM
C=CCc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(OC)c1O	ZINC000136990856	559290982	/nfs/dbraw/zinc/29/09/82/559290982.db2.gz	DEMPZEFDEILIJA-ZCRYVNTJSA-N	-1	0	401.513	3.961	40	30		HHEBRM
COc1ccc(/C=N/OCC(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1	ZINC000003170818	560588653	/nfs/dbraw/zinc/58/86/53/560588653.db2.gz	QOSMVXJBFXNWCK-MFKUBSTISA-N	-1	0	418.449	3.977	40	30		HHEBRM
Cc1ccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1Cl	ZINC000004945445	560617019	/nfs/dbraw/zinc/61/70/19/560617019.db2.gz	XSDXVRMPTYSKIP-UHFFFAOYSA-N	-1	0	405.888	3.860	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000408810356	560644014	/nfs/dbraw/zinc/64/40/14/560644014.db2.gz	MAXCGPGFJXPKHY-SFQUDFHCSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408819539	560644821	/nfs/dbraw/zinc/64/48/21/560644821.db2.gz	ZHBCYGXQGLWMRH-LDADJPATSA-N	-1	0	408.841	3.635	40	30		HHEBRM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)S1	ZINC000408862745	560648090	/nfs/dbraw/zinc/64/80/90/560648090.db2.gz	HZHQRYPDGKYIAL-PDGQHHTCSA-N	-1	0	412.467	3.749	40	30		HHEBRM
C#CCN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2[O-])C1=O	ZINC000408917452	560653498	/nfs/dbraw/zinc/65/34/98/560653498.db2.gz	USSFFUPCRALKKJ-BJMVGYQFSA-N	-1	0	417.078	3.587	40	30		HHEBRM
COCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1ccccc1	ZINC000408940697	560656246	/nfs/dbraw/zinc/65/62/46/560656246.db2.gz	VHRGSTHRHBOPFG-PQDITWEDSA-N	-1	0	413.455	3.941	40	30		HHEBRM
C#CCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)c1	ZINC000409071950	560673387	/nfs/dbraw/zinc/67/33/87/560673387.db2.gz	QVSRRCWNSHUPHX-UHFFFAOYSA-N	-1	0	419.477	3.587	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409221499	560698822	/nfs/dbraw/zinc/69/88/22/560698822.db2.gz	RDWRRCAULXDUBT-HWJOJHONSA-N	-1	0	412.467	3.781	40	30		HHEBRM
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1	ZINC000007073023	560749599	/nfs/dbraw/zinc/74/95/99/560749599.db2.gz	XSKCQGKBDHIRTE-CQSZACIVSA-N	-1	0	404.488	3.883	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000008571246	560755828	/nfs/dbraw/zinc/75/58/28/560755828.db2.gz	RXHTWVOELGMUEZ-HMMYKYKNSA-N	-1	0	410.429	3.827	40	30		HHEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC#N	ZINC000059135549	568701207	/nfs/dbraw/zinc/70/12/07/568701207.db2.gz	NKSKAFKPLRZOKW-QGOAFFKASA-N	-1	0	405.385	3.963	40	30		HHEBRM
CCN(CC)c1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccccc3)nc2C(=O)[O-])cc1	ZINC000409195842	569386741	/nfs/dbraw/zinc/38/67/41/569386741.db2.gz	RALZVYIFNZKQAN-QINSGFPZSA-N	-1	0	414.465	3.819	40	30		HHEBRM
S=c1[n-]nc(-c2ccccc2)n1N=Cc1cc2c(cc1Br)OCO2	ZINC000196451727	970001797	/nfs/dbraw/zinc/00/17/97/970001797.db2.gz	KBEDMAXDUPXADA-QGMBQPNBSA-N	-1	0	403.261	3.981	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C	ZINC000408527819	557285879	/nfs/dbraw/zinc/28/58/79/557285879.db2.gz	ACQXSJOGEVNCDN-INIZCTEOSA-N	-1	0	414.259	3.667	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1	ZINC000408535234	557320167	/nfs/dbraw/zinc/32/01/67/557320167.db2.gz	NGZQVOCXVUAULC-OAHLLOKOSA-N	-1	0	403.360	3.924	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408536184	557328546	/nfs/dbraw/zinc/32/85/46/557328546.db2.gz	QDZNVXPSOKTBPS-AWEZNQCLSA-N	-1	0	420.650	3.704	40	30		HHEBRM
C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)NC2=O)cc1OC	ZINC000006490564	557705255	/nfs/dbraw/zinc/70/52/55/557705255.db2.gz	OEAQXNLSLUALDL-PDGQHHTCSA-N	-1	0	410.451	3.850	40	30		HHEBRM
C=CCSc1nnc([N-]S(=O)(=O)Cc2cccc(Br)c2)s1	ZINC000225526988	559272060	/nfs/dbraw/zinc/27/20/60/559272060.db2.gz	MLNUZUKORBZXSZ-UHFFFAOYSA-N	-1	0	406.352	3.521	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC#N	ZINC000408766274	560629938	/nfs/dbraw/zinc/62/99/38/560629938.db2.gz	BERPGLMLLDHUAI-XSFVSMFZSA-N	-1	0	415.449	3.601	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl	ZINC000408804875	560643290	/nfs/dbraw/zinc/64/32/90/560643290.db2.gz	BWSSGRHBWCKTFI-SFQUDFHCSA-N	-1	0	408.841	3.581	40	30		HHEBRM
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408807870	560643634	/nfs/dbraw/zinc/64/36/34/560643634.db2.gz	LHBAIYHRHHCHFH-XSFVSMFZSA-N	-1	0	414.417	3.777	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC	ZINC000408855346	560647730	/nfs/dbraw/zinc/64/77/30/560647730.db2.gz	LWRBWQHGVSXXBG-XDHOZWIPSA-N	-1	0	420.465	3.716	40	30		HHEBRM
COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1	ZINC000408868632	560648736	/nfs/dbraw/zinc/64/87/36/560648736.db2.gz	PDSJOOHZNKYTGZ-PXNMLYILSA-N	-1	0	418.858	3.704	40	30		HHEBRM
C#CCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C1=O	ZINC000408917070	560653480	/nfs/dbraw/zinc/65/34/80/560653480.db2.gz	LXFMNPSWDZPMBU-LDADJPATSA-N	-1	0	423.446	3.642	40	30		HHEBRM
COc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c(OC)c1	ZINC000408942209	560656680	/nfs/dbraw/zinc/65/66/80/560656680.db2.gz	WSHWRCVOFIVBRU-PJVJRFQASA-N	-1	0	412.467	3.944	40	30		HHEBRM
CCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2	ZINC000409075586	560672935	/nfs/dbraw/zinc/67/29/35/560672935.db2.gz	XJBHIEZYAWFYGS-UHFFFAOYSA-N	-1	0	409.482	3.973	40	30		HHEBRM
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000409090196	560675176	/nfs/dbraw/zinc/67/51/76/560675176.db2.gz	MFUCAAMGRZTDGK-XFFZJAGNSA-N	-1	0	416.282	3.657	40	30		HHEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1	ZINC000409297540	560707818	/nfs/dbraw/zinc/70/78/18/560707818.db2.gz	UANHXBRHVUHWIW-UHFFFAOYSA-N	-1	0	405.454	3.790	40	30		HHEBRM
CC/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)C(=O)N1CC	ZINC000101618759	560729202	/nfs/dbraw/zinc/72/92/02/560729202.db2.gz	SGMSBLRHJVGASC-QECFJDBTSA-N	-1	0	412.895	3.514	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(OC)cc1	ZINC000013346784	560804804	/nfs/dbraw/zinc/80/48/04/560804804.db2.gz	VIWKEOFGQRKHHF-UHFFFAOYSA-N	-1	0	424.482	3.569	40	30		HHEBRM
C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC	ZINC000015013885	569004434	/nfs/dbraw/zinc/00/44/34/569004434.db2.gz	YXPALBTWUJOJOB-GDNBJRDFSA-N	-1	0	418.877	3.708	40	30		HHEBRM
N#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000107986645	569353270	/nfs/dbraw/zinc/35/32/70/569353270.db2.gz	IBWFWBPPMLYJJS-LICLKQGHSA-N	-1	0	420.881	3.650	40	30		HHEBRM
CCCCCCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000109355405	569362947	/nfs/dbraw/zinc/36/29/47/569362947.db2.gz	AKOAQXMGTXHDFW-UHFFFAOYSA-N	-1	0	423.307	3.938	40	30		HHEBRM
N#Cc1c(NC(=O)CN2CCC(C(=O)[O-])(c3ccccc3)CC2)sc2c1CCCC2	ZINC000408549063	569385841	/nfs/dbraw/zinc/38/58/41/569385841.db2.gz	WHMHGTYXLSTEKB-UHFFFAOYSA-N	-1	0	423.538	3.555	40	30		HHEBRM
CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(F)cc3)nc2C(=O)[O-])cc1	ZINC000409198251	569386821	/nfs/dbraw/zinc/38/68/21/569386821.db2.gz	AWIDBRUERLSLEC-XGICHPGQSA-N	-1	0	405.385	3.511	40	30		HHEBRM
COc1ccc(/C=N/[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1O	ZINC000001657202	557279234	/nfs/dbraw/zinc/27/92/34/557279234.db2.gz	BHWIGKCYMHCEOW-CNHKJKLMSA-N	-1	0	409.678	3.673	40	30		HHEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1	ZINC000408535954	557325679	/nfs/dbraw/zinc/32/56/79/557325679.db2.gz	PGIRDINNVMQFBD-HNNXBMFYSA-N	-1	0	406.225	3.604	40	30		HHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408535376	557331895	/nfs/dbraw/zinc/33/18/95/557331895.db2.gz	NVSLHEZKLACIJQ-HNNXBMFYSA-N	-1	0	414.259	3.613	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)ccc1OC	ZINC000408743070	557809173	/nfs/dbraw/zinc/80/91/73/557809173.db2.gz	ULPYRJRWVHKZKJ-CPNJWEJPSA-N	-1	0	422.506	3.654	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3cccc(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000408754583	557816587	/nfs/dbraw/zinc/81/65/87/557816587.db2.gz	NXQOZIFITSDHNP-RKQRPNFGSA-N	-1	0	416.300	3.524	40	30		HHEBRM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccnc2)cc1	ZINC000005920715	560628526	/nfs/dbraw/zinc/62/85/26/560628526.db2.gz	YWNLFLYTAXWHIB-IBGZPJMESA-N	-1	0	418.405	3.634	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N	ZINC000408776845	560639271	/nfs/dbraw/zinc/63/92/71/560639271.db2.gz	ZWUIUCLLEIWSQG-QGOAFFKASA-N	-1	0	421.840	3.637	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000408804641	560643252	/nfs/dbraw/zinc/64/32/52/560643252.db2.gz	ZEABYKUZGXDOQQ-SDNWHVSQSA-N	-1	0	412.829	3.580	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409221498	560698808	/nfs/dbraw/zinc/69/88/08/560698808.db2.gz	RDWRRCAULXDUBT-FUJWUJENSA-N	-1	0	412.467	3.781	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409239625	560699817	/nfs/dbraw/zinc/69/98/17/560699817.db2.gz	HSPBTTNNIHXFCE-GPLLRDDGSA-N	-1	0	412.467	3.747	40	30		HHEBRM
C#CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21	ZINC000409246908	560701595	/nfs/dbraw/zinc/70/15/95/560701595.db2.gz	KXGRYDVTJJEOCK-SFQUDFHCSA-N	-1	0	417.852	3.903	40	30		HHEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000409400640	560720855	/nfs/dbraw/zinc/72/08/55/560720855.db2.gz	AHLVGRKUKUKAGY-UHFFFAOYSA-N	-1	0	416.393	3.568	40	30		HHEBRM
O=C([O-])COc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1Cl	ZINC000059249222	568703179	/nfs/dbraw/zinc/70/31/79/568703179.db2.gz	YQDLNEHBAGKNFV-NVNXTCNLSA-N	-1	0	406.822	3.834	40	30		HHEBRM
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)c1	ZINC000059459427	568704273	/nfs/dbraw/zinc/70/42/73/568704273.db2.gz	POXJMFMAINEIBP-CHHVJCJISA-N	-1	0	414.399	3.717	40	30		HHEBRM
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)c(C)c1	ZINC000059459403	568704284	/nfs/dbraw/zinc/70/42/84/568704284.db2.gz	LHRVTIMPMUXJNM-CHHVJCJISA-N	-1	0	414.399	3.717	40	30		HHEBRM
N#Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101447346	569009261	/nfs/dbraw/zinc/00/92/61/569009261.db2.gz	XUJKKAPSEJATCJ-NJNXFGOHSA-N	-1	0	410.393	3.685	40	30		HHEBRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cn2cccn2)cc1	ZINC000048586247	569352235	/nfs/dbraw/zinc/35/22/35/569352235.db2.gz	GPWMPCUSEMJHOD-UHFFFAOYSA-N	-1	0	409.389	3.644	40	30		HHEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC#N	ZINC000033645503	569362326	/nfs/dbraw/zinc/36/23/26/569362326.db2.gz	GKRVHCQBFVFXPT-UATKAOAOSA-N	-1	0	414.512	3.819	40	30		HHEBRM
N#Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408856959	569386237	/nfs/dbraw/zinc/38/62/37/569386237.db2.gz	LYKFYRNAWYVGSY-XYOKQWHBSA-N	-1	0	402.262	3.696	40	30		HHEBRM
Cc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000408740650	557806308	/nfs/dbraw/zinc/80/63/08/557806308.db2.gz	HUSYUURJHLHKIH-DGURAOSJSA-N	-1	0	416.300	3.524	40	30		HHEBRM
Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000008873428	557812979	/nfs/dbraw/zinc/81/29/79/557812979.db2.gz	SIUWVPTWDQZPSW-DGURAOSJSA-N	-1	0	416.300	3.524	40	30		HHEBRM
O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000016451065	558792524	/nfs/dbraw/zinc/79/25/24/558792524.db2.gz	ANLDPMOFOZKRFM-NTUHNPAUSA-N	-1	0	420.244	3.955	40	30		HHEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1Cl	ZINC000408867916	560648585	/nfs/dbraw/zinc/64/85/85/560648585.db2.gz	KQFPRVXMQCIWIN-VBKFSLOCSA-N	-1	0	408.841	3.581	40	30		HHEBRM
COc1cc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000019286723	560872391	/nfs/dbraw/zinc/87/23/91/560872391.db2.gz	DPEQGZUAFSZPDM-RIYZIHGNSA-N	-1	0	405.819	3.854	40	30		HHEBRM
COc1cc([N+](=O)[O-])cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-]	ZINC000058900544	568700781	/nfs/dbraw/zinc/70/07/81/568700781.db2.gz	RBQSGSCQBOIWOZ-FBCYGCLPSA-N	-1	0	400.269	3.682	40	30		HHEBRM
O=C([O-])CNc1cc([S@@](=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl	ZINC000028628048	527612553	/nfs/dbraw/zinc/61/25/53/527612553.db2.gz	CHTMULZUSJNDHG-DEOSSOPVSA-N	-1	0	401.687	3.735	40	30		HHEBRM
O=C([O-])CNc1cc([S@](=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl	ZINC000028628050	527613676	/nfs/dbraw/zinc/61/36/76/527613676.db2.gz	CHTMULZUSJNDHG-XMMPIXPASA-N	-1	0	401.687	3.735	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C	ZINC000408535292	557330829	/nfs/dbraw/zinc/33/08/29/557330829.db2.gz	NLXFQGNGWOOOSX-INIZCTEOSA-N	-1	0	403.360	3.924	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br	ZINC000408536954	557335872	/nfs/dbraw/zinc/33/58/72/557335872.db2.gz	UDNWDYCYBQPMOY-GFCCVEGCSA-N	-1	0	420.650	3.704	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000408536488	557340423	/nfs/dbraw/zinc/34/04/23/557340423.db2.gz	RQYMWTFWDBSQPR-CQSZACIVSA-N	-1	0	409.751	3.960	40	30		HHEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000408536482	557340434	/nfs/dbraw/zinc/34/04/34/557340434.db2.gz	ROYMAJXIVVQWRS-INIZCTEOSA-N	-1	0	419.359	3.706	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2ncccc2c1	ZINC000408740775	557806586	/nfs/dbraw/zinc/80/65/86/557806586.db2.gz	IAIXTVWTRMWDTJ-IMQYADFFSA-N	-1	0	408.870	3.655	40	30		HHEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000004953163	560617236	/nfs/dbraw/zinc/61/72/36/560617236.db2.gz	WAHDVZAPRVNXQO-LNYGYFNRSA-N	-1	0	409.413	3.668	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000408802908	560642772	/nfs/dbraw/zinc/64/27/72/560642772.db2.gz	JBMLCCGEHHCHCF-MHWRWJLKSA-N	-1	0	412.829	3.580	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408817427	560644632	/nfs/dbraw/zinc/64/46/32/560644632.db2.gz	XRLFQAMTDQRSBW-HMMYKYKNSA-N	-1	0	412.470	3.683	40	30		HHEBRM
C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000408912461	560652558	/nfs/dbraw/zinc/65/25/58/560652558.db2.gz	GQJSRYLFLFVIFN-CPNJWEJPSA-N	-1	0	403.413	3.941	40	30		HHEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O	ZINC000409064999	560672199	/nfs/dbraw/zinc/67/21/99/560672199.db2.gz	JYGFNYSAEGVQKJ-UHFFFAOYSA-N	-1	0	415.873	3.934	40	30		HHEBRM
O=C([O-])COc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1	ZINC000409278262	560705683	/nfs/dbraw/zinc/70/56/83/560705683.db2.gz	CHNDOPOZHMFEAR-UHFFFAOYSA-N	-1	0	405.454	3.790	40	30		HHEBRM
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1	ZINC000007080062	560749638	/nfs/dbraw/zinc/74/96/38/560749638.db2.gz	XSKCQGKBDHIRTE-AWEZNQCLSA-N	-1	0	404.488	3.883	40	30		HHEBRM
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=NNc2ccccc2)C(=O)[O-])cc1	ZINC000223813596	568559754	/nfs/dbraw/zinc/55/97/54/568559754.db2.gz	CHQLZZIOBGXJFU-ATJXCDBQSA-N	-1	0	409.467	3.697	40	30		HHEBRM
CCNC(=S)N/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21	ZINC000107718924	569362855	/nfs/dbraw/zinc/36/28/55/569362855.db2.gz	OGCUESKFRGQFIU-ZMOGYAJESA-N	-1	0	407.495	3.935	40	30		HHEBRM
COc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(Cl)c3)nc2C(=O)[O-])cc1	ZINC000409198146	569386703	/nfs/dbraw/zinc/38/67/03/569386703.db2.gz	YEUOTILNQDPOMM-POHAHGRESA-N	-1	0	421.840	3.943	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2cccnc21	ZINC000408742045	557808844	/nfs/dbraw/zinc/80/88/44/557808844.db2.gz	OYHOUQHDWZNVPN-QHBIDGPYSA-N	-1	0	408.870	3.655	40	30		HHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N/[N-]c1nc(C)c(C(C)=O)s1	ZINC000104302400	559160200	/nfs/dbraw/zinc/16/02/00/559160200.db2.gz	HAGYLYAKAZORDG-LXAFVMJESA-N	-1	0	401.517	3.886	40	30		HHEBRM
O=C([N-]Cc1ccco1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000104817235	559161646	/nfs/dbraw/zinc/16/16/46/559161646.db2.gz	OCZDFYXDKBOOBF-ZETCQYMHSA-N	-1	0	409.151	3.931	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000408785215	560641387	/nfs/dbraw/zinc/64/13/87/560641387.db2.gz	ZZUPZZWHZWOVNY-LDADJPATSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408807235	560642718	/nfs/dbraw/zinc/64/27/18/560642718.db2.gz	GOSTUJDHCXQWFD-SFQUDFHCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408803633	560643002	/nfs/dbraw/zinc/64/30/02/560643002.db2.gz	RKIRCPMZXANGQQ-LDADJPATSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	ZINC000408818559	560644751	/nfs/dbraw/zinc/64/47/51/560644751.db2.gz	VZUXSCWJWMCXBR-GZTJUZNOSA-N	-1	0	408.841	3.635	40	30		HHEBRM
C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)C(=O)N1C	ZINC000408855154	560647754	/nfs/dbraw/zinc/64/77/54/560647754.db2.gz	CSCMMXSMTCWFOH-ITWSTJDGSA-N	-1	0	403.891	3.978	40	30		HHEBRM
C#CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCCC)cc2)C1=O	ZINC000408899989	560651225	/nfs/dbraw/zinc/65/12/25/560651225.db2.gz	QWJXQZMVHQYWBL-SILNSSARSA-N	-1	0	418.449	3.544	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1[O-]	ZINC000409094725	560674639	/nfs/dbraw/zinc/67/46/39/560674639.db2.gz	FTVWXVUYAOVQDS-YBFXNURJSA-N	-1	0	406.236	3.650	40	30		HHEBRM
O=C([O-])COc1ccc(Br)cc1CN=Nc1ccc(C(F)(F)F)cn1	ZINC000409095660	560675731	/nfs/dbraw/zinc/67/57/31/560675731.db2.gz	IAUZWYNQCXXWRK-AERZKKPOSA-N	-1	0	418.169	3.772	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1O	ZINC000409128353	560681348	/nfs/dbraw/zinc/68/13/48/560681348.db2.gz	FEFDHNBTYXBDDF-GZTJUZNOSA-N	-1	0	422.506	3.577	40	30		HHEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000409284810	560706659	/nfs/dbraw/zinc/70/66/59/560706659.db2.gz	RUACSRRKMWTMPS-UHFFFAOYSA-N	-1	0	422.441	3.949	40	30		HHEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1)C(=O)[O-]	ZINC000409400695	560720851	/nfs/dbraw/zinc/72/08/51/560720851.db2.gz	ANSFLUXZKTYNIS-INIZCTEOSA-N	-1	0	413.433	3.798	40	30		HHEBRM
C[C@H](Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1)C(=O)[O-]	ZINC000409403981	560721885	/nfs/dbraw/zinc/72/18/85/560721885.db2.gz	OEIZAOJTTVNLPB-INIZCTEOSA-N	-1	0	413.433	3.798	40	30		HHEBRM
C[C@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)C(=O)[O-]	ZINC000409406617	560722274	/nfs/dbraw/zinc/72/22/74/560722274.db2.gz	XYABZDJANIJKLF-INIZCTEOSA-N	-1	0	413.433	3.798	40	30		HHEBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3cccs3)cc2)c1C	ZINC000100608120	560725648	/nfs/dbraw/zinc/72/56/48/560725648.db2.gz	KGILOXAYGSLBRK-KTKRTIGZSA-N	-1	0	403.485	3.962	40	30		HHEBRM
C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248082	568703213	/nfs/dbraw/zinc/70/32/13/568703213.db2.gz	HHTLBQYECVIGGO-PDGQHHTCSA-N	-1	0	424.478	3.779	40	30		HHEBRM
Cc1ccc(N2C(=O)[C@@H](CC(=O)[O-])S/C2=N\N=C\c2ccc(Cl)cc2)cc1	ZINC000059475392	568707198	/nfs/dbraw/zinc/70/71/98/568707198.db2.gz	SONYPELTJOWKRK-QNXIKFEOSA-N	-1	0	401.875	3.962	40	30		HHEBRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000096610933	568722088	/nfs/dbraw/zinc/72/20/88/568722088.db2.gz	SDLWPGDPNBMNPM-CYVLTUHYSA-N	-1	0	402.208	3.548	40	30		HHEBRM
O=[N+]([O-])c1cc(/C=N/c2ccccc2I)c([O-])c([N+](=O)[O-])c1	ZINC000003150774	568858612	/nfs/dbraw/zinc/85/86/12/568858612.db2.gz	OOMLOGNDXULCHY-VIZOYTHASA-N	-1	0	413.127	3.564	40	30		HHEBRM
O=C([O-])c1ccc(Cn2cc(CN=Nc3ncccc3[N+](=O)[O-])c3ccccc32)o1	ZINC000107710011	569362794	/nfs/dbraw/zinc/36/27/94/569362794.db2.gz	JPAKZBUKXNWUEI-LSHDLFTRSA-N	-1	0	405.370	3.730	40	30		HHEBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000408900480	569386385	/nfs/dbraw/zinc/38/63/85/569386385.db2.gz	SXFGXZMSOGCAFN-LPYMAVHISA-N	-1	0	424.460	3.941	40	30		HHEBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C(=O)[N-]C2=S)c1	ZINC000409024886	569386487	/nfs/dbraw/zinc/38/64/87/569386487.db2.gz	YRUSLZIYRCCNCD-XDHOZWIPSA-N	-1	0	413.458	3.958	40	30		HHEBRM
CCOc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1	ZINC000409195336	569386699	/nfs/dbraw/zinc/38/66/99/569386699.db2.gz	OQXVFQVEWXOYHD-XGICHPGQSA-N	-1	0	405.385	3.511	40	30		HHEBRM
N#Cc1c(=O)n(-c2ccc(Cl)cc2)nc(C(=O)[O-])c1/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000409198813	569386739	/nfs/dbraw/zinc/38/67/39/569386739.db2.gz	FPRJPDQVPAMPPU-KMKOMSMNSA-N	-1	0	422.784	3.534	40	30		HHEBRM
C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCC(=O)[O-]	ZINC000208160521	970017199	/nfs/dbraw/zinc/01/71/99/970017199.db2.gz	LQZNCDDFVQCWSY-XDHOZWIPSA-N	-1	0	406.438	3.693	40	30		HHEBRM
C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)ccc1OC	ZINC000038771239	519130330	/nfs/dbraw/zinc/13/03/30/519130330.db2.gz	GSJNQKWRVFSWDE-UHFFFAOYSA-N	-1	0	423.494	3.872	40	30		HHEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000408528656	557292162	/nfs/dbraw/zinc/29/21/62/557292162.db2.gz	BQTYHZKTOYMVSG-OAHLLOKOSA-N	-1	0	406.225	3.604	40	30		HHEBRM
C=CCOc1ccccc1/C=C1\SC(=S)N([N-]C(=O)c2cccs2)C1=O	ZINC000408529637	557295755	/nfs/dbraw/zinc/29/57/55/557295755.db2.gz	IUACNKSECLOJCP-PTNGSMBKSA-N	-1	0	402.522	3.859	40	30		HHEBRM
O=C1CCCC(=O)C1=N[N-]c1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2	ZINC000006530239	557706707	/nfs/dbraw/zinc/70/67/07/557706707.db2.gz	ZHURGEQKYKKJND-UHFFFAOYSA-N	-1	0	410.437	3.777	40	30		HHEBRM
CCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000408741020	557806608	/nfs/dbraw/zinc/80/66/08/557806608.db2.gz	JGRPIBCVIBHSIJ-VPNURPJOSA-N	-1	0	401.875	3.505	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000408800852	560642298	/nfs/dbraw/zinc/64/22/98/560642298.db2.gz	PVJQARJIGKFGCL-OQLLNIDSSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC#N	ZINC000408857167	560647383	/nfs/dbraw/zinc/64/73/83/560647383.db2.gz	NKHHQOIJVGVIJF-XSFVSMFZSA-N	-1	0	415.449	3.601	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OCC	ZINC000006355038	560741321	/nfs/dbraw/zinc/74/13/21/560741321.db2.gz	UNWGVISQMXADIM-GHRIWEEISA-N	-1	0	406.438	3.625	40	30		HHEBRM
C#CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OC	ZINC000059136100	568701124	/nfs/dbraw/zinc/70/11/24/568701124.db2.gz	NDCRYOMZQZCENK-SDNWHVSQSA-N	-1	0	410.426	3.518	40	30		HHEBRM
COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059248985	568703204	/nfs/dbraw/zinc/70/32/04/568703204.db2.gz	IEEZKBVVRNBDIJ-FMCGGJTJSA-N	-1	0	406.442	3.825	40	30		HHEBRM
O=C([O-])c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1Cl	ZINC000059679220	568709905	/nfs/dbraw/zinc/70/99/05/568709905.db2.gz	BGDPQYRDEJRKAF-DJKKODMXSA-N	-1	0	413.655	3.981	40	30		HHEBRM
C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000015012798	569004352	/nfs/dbraw/zinc/00/43/52/569004352.db2.gz	ZXXPTZIOIOHKFU-UNOMPAQXSA-N	-1	0	423.446	3.642	40	30		HHEBRM
C=CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000016196201	569005269	/nfs/dbraw/zinc/00/52/69/569005269.db2.gz	ANAAKBGERGOYGY-WJDWOHSUSA-N	-1	0	423.381	3.675	40	30		HHEBRM
C#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c2ccccc21	ZINC000107956046	569353170	/nfs/dbraw/zinc/35/31/70/569353170.db2.gz	QQBSNXPOFOZZLF-XSFVSMFZSA-N	-1	0	413.502	3.668	40	30		HHEBRM
COC(=O)c1sc([N-]C(=O)c2c(F)c(F)c(OC)c(F)c2F)c(C#N)c1C	ZINC000408629195	569386149	/nfs/dbraw/zinc/38/61/49/569386149.db2.gz	PDMNBCJTLFBYIB-UHFFFAOYSA-N	-1	0	402.325	3.532	40	30		HHEBRM
Cc1c(Cl)cccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000013119397	569409454	/nfs/dbraw/zinc/40/94/54/569409454.db2.gz	APKZKLISWKBHON-UHFFFAOYSA-N	-1	0	405.888	3.860	40	30		HHEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O	ZINC000208650159	970019464	/nfs/dbraw/zinc/01/94/64/970019464.db2.gz	UAHUEBFPCOBYNP-RVDMUPIBSA-N	-1	0	414.820	3.706	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408529907	557291560	/nfs/dbraw/zinc/29/15/60/557291560.db2.gz	DKKGRKDMINPAPI-AWEZNQCLSA-N	-1	0	409.751	3.960	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Cl	ZINC000408537840	557349916	/nfs/dbraw/zinc/34/99/16/557349916.db2.gz	XPJNUXQMGHIMLB-LBPRGKRZSA-N	-1	0	420.650	3.704	40	30		HHEBRM
Cc1ccc(C)n1-c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408740257	557806141	/nfs/dbraw/zinc/80/61/41/557806141.db2.gz	JQCUOSNERXHZRG-LSCMLXDISA-N	-1	0	416.506	3.861	40	30		HHEBRM
CCOc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408742745	557808956	/nfs/dbraw/zinc/80/89/56/557808956.db2.gz	SMFIMXIZEBHUEV-BTZNOAQDSA-N	-1	0	401.875	3.505	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408803604	560642937	/nfs/dbraw/zinc/64/29/37/560642937.db2.gz	RAWRNNLHJGRPMB-SFQUDFHCSA-N	-1	0	408.841	3.635	40	30		HHEBRM
COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408963465	560658763	/nfs/dbraw/zinc/65/87/63/560658763.db2.gz	BTFXJJKVXSPBKT-VGOFMYFVSA-N	-1	0	405.819	3.854	40	30		HHEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC#N	ZINC000408981917	560661090	/nfs/dbraw/zinc/66/10/90/560661090.db2.gz	DRIVVAMZYDZNSI-HKWRFOASSA-N	-1	0	415.449	3.546	40	30		HHEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Cl)c2)C2=C1CCCC2=O	ZINC000409065803	560672271	/nfs/dbraw/zinc/67/22/71/560672271.db2.gz	NJHFELCKDVTMSV-UHFFFAOYSA-N	-1	0	415.873	3.934	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409221080	560698729	/nfs/dbraw/zinc/69/87/29/560698729.db2.gz	KPJHFRXGZGQMBJ-MFVBVHDHSA-N	-1	0	412.467	3.747	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1C	ZINC000409338918	560712681	/nfs/dbraw/zinc/71/26/81/560712681.db2.gz	QRLFDBRCQBLJDG-UHFFFAOYSA-N	-1	0	408.483	3.869	40	30		HHEBRM
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000059165341	568701886	/nfs/dbraw/zinc/70/18/86/568701886.db2.gz	GUOWIHPCMNIYLZ-OEAKJJBVSA-N	-1	0	424.478	3.585	40	30		HHEBRM
COc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)c1[O-]	ZINC000059533301	568708984	/nfs/dbraw/zinc/70/89/84/568708984.db2.gz	VHNABFZZQPMIDG-IUXPMGMMSA-N	-1	0	413.455	3.686	40	30		HHEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000059862903	568709674	/nfs/dbraw/zinc/70/96/74/568709674.db2.gz	NMRMMCZURGCYED-KPIXLITHSA-N	-1	0	403.519	3.727	40	30		HHEBRM
O=C([O-])c1ccc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)cc1	ZINC000003050027	568850010	/nfs/dbraw/zinc/85/00/10/568850010.db2.gz	YMTJDUWSNYIWMG-LBPRGKRZSA-N	-1	0	411.176	3.518	40	30		HHEBRM
COc1cccc(CN=Nc2nc(C)cc(C)n2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109043425	569362951	/nfs/dbraw/zinc/36/29/51/569362951.db2.gz	RTNFYEJXAVBNPD-FMCGGJTJSA-N	-1	0	406.442	3.825	40	30		HHEBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)C(=O)[N-]C1=S	ZINC000409246507	569386986	/nfs/dbraw/zinc/38/69/86/569386986.db2.gz	CCPAJWJWBNYWMX-LDADJPATSA-N	-1	0	413.458	3.958	40	30		HHEBRM
Cc1cc(N=NCc2ccccc2)nc([N-]S(=O)(=O)c2ccccc2Cl)n1	ZINC000038194638	525045349	/nfs/dbraw/zinc/04/53/49/525045349.db2.gz	RDSZSUMJMOBTIS-NDENLUEZSA-N	-1	0	401.879	3.685	40	30		HHEBRM
COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408528051	557296302	/nfs/dbraw/zinc/29/63/02/557296302.db2.gz	CEYBMBAOPASHFG-ZSOIEALJSA-N	-1	0	405.819	3.854	40	30		HHEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O	ZINC000408532612	557314688	/nfs/dbraw/zinc/31/46/88/557314688.db2.gz	INFSLRXAMMDOFY-CYBMUJFWSA-N	-1	0	406.225	3.604	40	30		HHEBRM
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OCC(=O)OC(C)C	ZINC000408600325	557510681	/nfs/dbraw/zinc/51/06/81/557510681.db2.gz	BMCBDINAKXFBGO-YVNNLAQVSA-N	-1	0	420.849	3.823	40	30		HHEBRM
O=[N+]([O-])c1ccc(N=NCc2cc(Br)cc(Br)c2[O-])nc1	ZINC000408750829	557812349	/nfs/dbraw/zinc/81/23/49/557812349.db2.gz	SFRWMZCKTZPYIJ-BNCCVWRVSA-N	-1	0	416.029	3.666	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3ccc(Br)cc3)C(=O)[N-]C2=S)cc1	ZINC000408753904	557816515	/nfs/dbraw/zinc/81/65/15/557816515.db2.gz	KYZAYXKFEAZTEO-ANQVYJHKSA-N	-1	0	416.300	3.524	40	30		HHEBRM
C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cc1OCC	ZINC000214859807	558802974	/nfs/dbraw/zinc/80/29/74/558802974.db2.gz	KBSCRUINBWMIHU-UVTDQMKNSA-N	-1	0	408.863	3.914	40	30		HHEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C	ZINC000224709332	559253370	/nfs/dbraw/zinc/25/33/70/559253370.db2.gz	WWQYILUVJPXQPH-UHFFFAOYSA-N	-1	0	402.516	3.844	40	30		HHEBRM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccnc2)cc1	ZINC000005920300	560628493	/nfs/dbraw/zinc/62/84/93/560628493.db2.gz	YWNLFLYTAXWHIB-LJQANCHMSA-N	-1	0	418.405	3.634	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	ZINC000408782806	560641223	/nfs/dbraw/zinc/64/12/23/560641223.db2.gz	ZDVREYGLJWRTST-LDADJPATSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408803607	560643008	/nfs/dbraw/zinc/64/30/08/560643008.db2.gz	RCBDPRPOVQBWBG-XDHOZWIPSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408804827	560643276	/nfs/dbraw/zinc/64/32/76/560643276.db2.gz	BPUVHZHUHHTEPS-RCCKNPSSSA-N	-1	0	410.429	3.827	40	30		HHEBRM
COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000408860191	560647983	/nfs/dbraw/zinc/64/79/83/560647983.db2.gz	SYDNZLSFPUBAQT-CHHVJCJISA-N	-1	0	405.819	3.854	40	30		HHEBRM
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)[O-]	ZINC000409056151	560670326	/nfs/dbraw/zinc/67/03/26/560670326.db2.gz	KXIPUIVUIZYNBL-QGMBQPNBSA-N	-1	0	409.192	3.580	40	30		HHEBRM
CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCC(=O)[O-]	ZINC000409080200	560673796	/nfs/dbraw/zinc/67/37/96/560673796.db2.gz	MRCAQTICZGZMCX-ZSOIEALJSA-N	-1	0	401.802	3.547	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCC(=O)[O-]	ZINC000409079880	560673805	/nfs/dbraw/zinc/67/38/05/560673805.db2.gz	BZRCFWXHGSXBJC-PDGQHHTCSA-N	-1	0	407.422	3.622	40	30		HHEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1)C(=O)[O-]	ZINC000409400702	560720899	/nfs/dbraw/zinc/72/08/99/560720899.db2.gz	ANSFLUXZKTYNIS-MRXNPFEDSA-N	-1	0	413.433	3.798	40	30		HHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br	ZINC000013563322	560816343	/nfs/dbraw/zinc/81/63/43/560816343.db2.gz	TYZWCRMYZVEUJA-CYVLTUHYSA-N	-1	0	402.208	3.548	40	30		HHEBRM
O=C([O-])c1ccc(NN=C2C(=O)N(C3CSC3)c3ccc(C(F)(F)F)cc32)cc1	ZINC000223743867	568557889	/nfs/dbraw/zinc/55/78/89/568557889.db2.gz	QWKHFPRFUXAJSH-JLPGSUDCSA-N	-1	0	421.400	3.682	40	30		HHEBRM
COc1ccc(/N=C2\NC(=O)/C(=C\c3cn(CC(=O)[O-])c4ccccc34)S2)cc1	ZINC000059220292	568702734	/nfs/dbraw/zinc/70/27/34/568702734.db2.gz	QUVBFVXZWXPZBD-VCHYOVAHSA-N	-1	0	407.451	3.626	40	30		HHEBRM
CC(C)=CCC/C(C)=C\COc1ccc(/C=C2\C(=O)N(O)[C@H](C)C(=O)N2O)cc1	ZINC000005985542	569027088	/nfs/dbraw/zinc/02/70/88/569027088.db2.gz	JIGPABZIAJWQNM-MHBOYNLKSA-N	-1	0	400.475	3.937	40	30		HHEBRM
COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000038361146	569362640	/nfs/dbraw/zinc/36/26/40/569362640.db2.gz	DYTCZQAFCXBDFJ-ZIKOHYJISA-N	-1	0	412.467	3.701	40	30		HHEBRM
COc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(C)c3)nc2C(=O)[O-])cc1	ZINC000409198359	569386700	/nfs/dbraw/zinc/38/67/00/569386700.db2.gz	DPWRGRVSAZWEBT-XFFZJAGNSA-N	-1	0	401.422	3.598	40	30		HHEBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)[N-]C1=S	ZINC000409221963	569386957	/nfs/dbraw/zinc/38/69/57/569386957.db2.gz	ADWVWOIBVNJZTL-LDADJPATSA-N	-1	0	413.458	3.958	40	30		HHEBRM
CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccc(C)cc2)ccc1OCC(=O)[O-]	ZINC000408984344	571310769	/nfs/dbraw/zinc/31/07/69/571310769.db2.gz	HAGIPQUBAANWIR-UHFFFAOYSA-N	-1	0	403.438	4.040	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(Br)c1	ZINC000408739476	557805446	/nfs/dbraw/zinc/80/54/46/557805446.db2.gz	CFAHLYYJRRLDEG-NPNVKNKFSA-N	-1	0	416.300	3.524	40	30		HHEBRM
Cc1ccc(C)n1-c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408740258	557806200	/nfs/dbraw/zinc/80/62/00/557806200.db2.gz	JQCUOSNERXHZRG-PGLVWIQMSA-N	-1	0	416.506	3.861	40	30		HHEBRM
O=C([O-])c1ccc(/N=C2\C(=O)Nc3c2cc(Br)cc3Br)cc1	ZINC000016401100	558789917	/nfs/dbraw/zinc/78/99/17/558789917.db2.gz	DCGACCMMFVKHHH-UHFFFAOYSA-N	-1	0	424.048	3.983	40	30		HHEBRM
CN1C(=O)[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(Cl)c1	ZINC000102406232	559150139	/nfs/dbraw/zinc/15/01/39/559150139.db2.gz	GVRXFSTVOQXUFR-GYKMOOBXSA-N	-1	0	417.874	3.628	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OC	ZINC000408768584	560638859	/nfs/dbraw/zinc/63/88/59/560638859.db2.gz	HHWUFGJBQNPBNZ-CPNJWEJPSA-N	-1	0	420.465	3.797	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O	ZINC000408803538	560642963	/nfs/dbraw/zinc/64/29/63/560642963.db2.gz	QGCADURDOUFRRK-QGOAFFKASA-N	-1	0	408.841	3.581	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC	ZINC000408808433	560643652	/nfs/dbraw/zinc/64/36/52/560643652.db2.gz	POIYMTREXOBFOA-QGOAFFKASA-N	-1	0	420.465	3.933	40	30		HHEBRM
C=CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000408917292	560653487	/nfs/dbraw/zinc/65/34/87/560653487.db2.gz	QLIITVASSUHHDV-PDGQHHTCSA-N	-1	0	405.454	3.798	40	30		HHEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1CC=C	ZINC000408982431	560661108	/nfs/dbraw/zinc/66/11/08/560661108.db2.gz	GYSVECBGZFLFDP-PGMHBOJBSA-N	-1	0	414.461	3.656	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409221079	560698712	/nfs/dbraw/zinc/69/87/12/560698712.db2.gz	KPJHFRXGZGQMBJ-GPLLRDDGSA-N	-1	0	412.467	3.747	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409239627	560699833	/nfs/dbraw/zinc/69/98/33/560699833.db2.gz	HSPBTTNNIHXFCE-MFVBVHDHSA-N	-1	0	412.467	3.747	40	30		HHEBRM
CCc1ccc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409375895	560716228	/nfs/dbraw/zinc/71/62/28/560716228.db2.gz	QNTDRGGMAIIDMK-CPNJWEJPSA-N	-1	0	414.490	3.559	40	30		HHEBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC#N)c(OC)c3)C2=O)cc1	ZINC000034106349	568698689	/nfs/dbraw/zinc/69/86/89/568698689.db2.gz	ARHRMFQHOJMKKN-SFQUDFHCSA-N	-1	0	421.409	3.503	40	30		HHEBRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1	ZINC000048586656	569352193	/nfs/dbraw/zinc/35/21/93/569352193.db2.gz	QQKUOPPOCLMTBC-UHFFFAOYSA-N	-1	0	412.389	3.526	40	30		HHEBRM
CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3cccc(C)c3)nc2C(=O)[O-])cc1	ZINC000409196531	569386725	/nfs/dbraw/zinc/38/67/25/569386725.db2.gz	OWRBPNSMWIEQTE-XFXZXTDPSA-N	-1	0	401.422	3.680	40	30		HHEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000299888536	518210905	/nfs/dbraw/zinc/21/09/05/518210905.db2.gz	NMRMMCZURGCYED-JZTHCNPZSA-N	-1	0	403.519	3.727	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1C(F)(F)F	ZINC000408536336	557330243	/nfs/dbraw/zinc/33/02/43/557330243.db2.gz	QYDVJPAODKMTBC-GFCCVEGCSA-N	-1	0	409.751	3.960	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br	ZINC000408536955	557335916	/nfs/dbraw/zinc/33/59/16/557335916.db2.gz	UDNWDYCYBQPMOY-LBPRGKRZSA-N	-1	0	420.650	3.704	40	30		HHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000408537709	557349789	/nfs/dbraw/zinc/34/97/89/557349789.db2.gz	WSFBMQUACZPLJA-HNNXBMFYSA-N	-1	0	403.360	3.869	40	30		HHEBRM
O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1cccs1	ZINC000085409736	559056833	/nfs/dbraw/zinc/05/68/33/559056833.db2.gz	VTJFBOALWGFTQH-AWEZNQCLSA-N	-1	0	413.436	3.896	40	30		HHEBRM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000408807730	560642591	/nfs/dbraw/zinc/64/25/91/560642591.db2.gz	OOCITSOGFXRIJU-XNTDXEJSSA-N	-1	0	412.829	3.580	40	30		HHEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	ZINC000408984442	560661919	/nfs/dbraw/zinc/66/19/19/560661919.db2.gz	RBVIQQXTCTYDCF-RGEXLXHISA-N	-1	0	420.465	3.879	40	30		HHEBRM
N#CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc1	ZINC000408993690	560663045	/nfs/dbraw/zinc/66/30/45/560663045.db2.gz	XCRDFZFJNUDDQS-SXGWCWSVSA-N	-1	0	413.842	3.832	40	30		HHEBRM
COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1[N+](=O)[O-]	ZINC000409057537	560670591	/nfs/dbraw/zinc/67/05/91/560670591.db2.gz	HDUCTLYQGPZXJN-JLWPNQNFSA-N	-1	0	413.411	3.535	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCCC	ZINC000409069865	560673179	/nfs/dbraw/zinc/67/31/79/560673179.db2.gz	YDEBJIBFGXPPPI-XMHGGMMESA-N	-1	0	420.465	3.879	40	30		HHEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Br)o2)C2=C1CCCC2=O	ZINC000409202146	560693222	/nfs/dbraw/zinc/69/32/22/560693222.db2.gz	PGHKCIMDKGYKQB-UHFFFAOYSA-N	-1	0	420.259	3.540	40	30		HHEBRM
O=C1CCCCC1=CNc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1	ZINC000018069252	560871057	/nfs/dbraw/zinc/87/10/57/560871057.db2.gz	UJFIQSDCHCDASH-SQFISAMPSA-N	-1	0	408.483	3.870	40	30		HHEBRM
COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1	ZINC000059678449	568709915	/nfs/dbraw/zinc/70/99/15/568709915.db2.gz	NDKNKEUMXIMKDV-SXGWCWSVSA-N	-1	0	418.858	3.704	40	30		HHEBRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1	ZINC000033732257	569362502	/nfs/dbraw/zinc/36/25/02/569362502.db2.gz	IEEXDNFIWXUAAS-UHFFFAOYSA-N	-1	0	401.517	3.855	40	30		HHEBRM
CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000137605608	569363061	/nfs/dbraw/zinc/36/30/61/569363061.db2.gz	YYHGRUCPHCRICZ-OFDIPOHZSA-N	-1	0	418.496	3.511	40	30		HHEBRM
N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000409104069	569386520	/nfs/dbraw/zinc/38/65/20/569386520.db2.gz	ILHGUGMMMDEOIM-WOJGMQOQSA-N	-1	0	424.503	3.813	40	30		HHEBRM
CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)cc3)nc2C(=O)[O-])cc1	ZINC000409197769	569386837	/nfs/dbraw/zinc/38/68/37/569386837.db2.gz	ONTSSPSJAAEXHN-JYRVWZFOSA-N	-1	0	401.422	3.680	40	30		HHEBRM
COc1cccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(C)c3)nc2C(=O)[O-])c1	ZINC000409205489	569386953	/nfs/dbraw/zinc/38/69/53/569386953.db2.gz	NVPKUHASKAXBDV-NTMALXAHSA-N	-1	0	401.422	3.598	40	30		HHEBRM
CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C(F)(F)[C@H]12	ZINC000071746289	571299304	/nfs/dbraw/zinc/29/93/04/571299304.db2.gz	PVHIRYQSPDZLLG-HBXWYSCUSA-N	-1	0	412.473	3.513	40	30	in-vitro	HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408530435	557298882	/nfs/dbraw/zinc/29/88/82/557298882.db2.gz	FJPKELGKUHJKAS-AWEZNQCLSA-N	-1	0	420.650	3.704	40	30		HHEBRM
CCc1ccc2nc3[n-]c(NN=Cc4c(OC)cc(OC)cc4OC)nnc-3c2c1	ZINC000005674417	557668113	/nfs/dbraw/zinc/66/81/13/557668113.db2.gz	JGLWSVLWKWBBOQ-SSDVNMTOSA-N	-1	0	406.446	3.540	40	30		HHEBRM
Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408741441	557807935	/nfs/dbraw/zinc/80/79/35/557807935.db2.gz	LZEMRXGKEPNQFH-VYXQJKENSA-N	-1	0	416.300	3.524	40	30		HHEBRM
C#CCOc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OCC	ZINC000013914476	558832568	/nfs/dbraw/zinc/83/25/68/558832568.db2.gz	ZSEDFLJSMSUZIL-XDHOZWIPSA-N	-1	0	404.422	3.602	40	30		HHEBRM
COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000085382237	558847953	/nfs/dbraw/zinc/84/79/53/558847953.db2.gz	PXBWKXIDPHGOAU-NCUBORBFSA-N	-1	0	412.467	3.747	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC	ZINC000408786455	560641753	/nfs/dbraw/zinc/64/17/53/560641753.db2.gz	QDFYGLFKPXJVAM-CPNJWEJPSA-N	-1	0	420.465	3.797	40	30		HHEBRM
N#CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)c(C(=O)[O-])c2)NC1=O	ZINC000408814994	560645137	/nfs/dbraw/zinc/64/51/37/560645137.db2.gz	QXESVVAZEAHQNV-SXGWCWSVSA-N	-1	0	413.842	3.832	40	30		HHEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)cc3)C2=O)cc1	ZINC000408898362	560651729	/nfs/dbraw/zinc/65/17/29/560651729.db2.gz	LRLBYAFMSCGJDU-HKWRFOASSA-N	-1	0	406.438	3.707	40	30		HHEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O	ZINC000409033575	560668464	/nfs/dbraw/zinc/66/84/64/560668464.db2.gz	MASGYCWYZGRMJI-UHFFFAOYSA-N	-1	0	401.846	3.544	40	30		HHEBRM
CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)[O-]	ZINC000409047100	560669593	/nfs/dbraw/zinc/66/95/93/560669593.db2.gz	NAPNMKDLKSSWRS-DJKKODMXSA-N	-1	0	423.219	3.970	40	30		HHEBRM
[O-]c1c(Br)cc(CN=Nc2cncc(Cl)n2)cc1Br	ZINC000005567091	568447235	/nfs/dbraw/zinc/44/72/35/568447235.db2.gz	DGDLROUOLSSOCH-HQYXKAPLSA-N	-1	0	406.465	3.807	40	30		HHEBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC#N	ZINC000059135057	568701192	/nfs/dbraw/zinc/70/11/92/568701192.db2.gz	XKBDWYHYMWEHHX-LFIBNONCSA-N	-1	0	409.373	3.633	40	30		HHEBRM
CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)[n-]c1=O	ZINC000016687745	569070521	/nfs/dbraw/zinc/07/05/21/569070521.db2.gz	YZYAWVUVLXKAHZ-UHFFFAOYSA-N	-1	0	411.266	3.705	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C	ZINC000408527827	557288003	/nfs/dbraw/zinc/28/80/03/557288003.db2.gz	ACQXSJOGEVNCDN-MRXNPFEDSA-N	-1	0	414.259	3.667	40	30		HHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000408537711	557349717	/nfs/dbraw/zinc/34/97/17/557349717.db2.gz	WSFBMQUACZPLJA-OAHLLOKOSA-N	-1	0	403.360	3.869	40	30		HHEBRM
Cc1cccc(C(C)(C)C)c1NC(=O)C([O-])=C(c1cnc2ccccc2n1)[N+](=O)[O-]	ZINC000006491227	557705193	/nfs/dbraw/zinc/70/51/93/557705193.db2.gz	UQSVDDAHQADYIA-LJQANCHMSA-N	-1	0	406.442	3.761	40	30		HHEBRM
COC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1	ZINC000006734881	557718409	/nfs/dbraw/zinc/71/84/09/557718409.db2.gz	HYPAAQNUGYXEBQ-QGMBQPNBSA-N	-1	0	403.441	3.926	40	30		HHEBRM
N#CCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2s1	ZINC000408748995	557813213	/nfs/dbraw/zinc/81/32/13/557813213.db2.gz	DIRWUKVNAPCNCS-UHFFFAOYSA-N	-1	0	414.424	3.771	40	30		HHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N\[N-]c1nc(C)c(C(C)=O)s1	ZINC000104302393	559160163	/nfs/dbraw/zinc/16/01/63/559160163.db2.gz	HAGYLYAKAZORDG-DDJYZJNBSA-N	-1	0	401.517	3.886	40	30		HHEBRM
C=CCSc1nnc([N-]S(=O)(=O)Cc2ccc(Br)cc2)s1	ZINC000224409732	559233375	/nfs/dbraw/zinc/23/33/75/559233375.db2.gz	JTMQVXSCIKNLFH-UHFFFAOYSA-N	-1	0	406.352	3.521	40	30		HHEBRM
COc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])c1	ZINC000004953152	560617194	/nfs/dbraw/zinc/61/71/94/560617194.db2.gz	MUCYQLFQEFNFNY-CHHLAKQQSA-N	-1	0	421.449	3.538	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C	ZINC000408775968	560639088	/nfs/dbraw/zinc/63/90/88/560639088.db2.gz	LFKCLNITPHXSNX-XMHGGMMESA-N	-1	0	420.852	3.747	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC	ZINC000408807838	560643586	/nfs/dbraw/zinc/64/35/86/560643586.db2.gz	HXRRWZKFVCQANI-SFQUDFHCSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408819899	560645440	/nfs/dbraw/zinc/64/54/40/560645440.db2.gz	YYBKPUMYYUJXLN-RCCKNPSSSA-N	-1	0	410.429	3.827	40	30		HHEBRM
C/N=C1/S/C(=C\c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C(=O)N1C	ZINC000408846470	560646516	/nfs/dbraw/zinc/64/65/16/560646516.db2.gz	JYEGRCKQULDZEQ-SAGQOJBKSA-N	-1	0	405.479	3.920	40	30		HHEBRM
CC/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)N1CC	ZINC000408930642	560655643	/nfs/dbraw/zinc/65/56/43/560655643.db2.gz	ZZNINHHMBWTDLN-HIZUVTEDSA-N	-1	0	403.287	3.769	40	30		HHEBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c1[O-]	ZINC000408966676	560658301	/nfs/dbraw/zinc/65/83/01/560658301.db2.gz	PUDKDFWBUGGVOA-CXUHLZMHSA-N	-1	0	415.427	3.599	40	30		HHEBRM
C#CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21	ZINC000408981595	560661017	/nfs/dbraw/zinc/66/10/17/560661017.db2.gz	BVULVLFEBFZLGQ-WQRHYEAKSA-N	-1	0	417.852	3.903	40	30		HHEBRM
C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)c2ccccc21	ZINC000409221152	560698714	/nfs/dbraw/zinc/69/87/14/560698714.db2.gz	LQIJTHZPTOKEFI-NBVRZTHBSA-N	-1	0	415.449	3.892	40	30		HHEBRM
C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1OC	ZINC000020455591	569018868	/nfs/dbraw/zinc/01/88/68/569018868.db2.gz	OELXUOIBPMVCIC-UHFFFAOYSA-N	-1	0	423.494	3.872	40	30		HHEBRM
COc1cccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(Cl)cc3)nc2C(=O)[O-])c1	ZINC000409197756	569386718	/nfs/dbraw/zinc/38/67/18/569386718.db2.gz	ODBSISDBCLHELG-YHYXMXQVSA-N	-1	0	407.813	3.635	40	30		HHEBRM
COc1ccccc1-n1nc(C(=O)[O-])c(/C=C\c2ccc(Cl)cc2)c(C#N)c1=O	ZINC000409198629	569386814	/nfs/dbraw/zinc/38/68/14/569386814.db2.gz	IVIPQEPOLMLTAM-FLIBITNWSA-N	-1	0	407.813	3.635	40	30		HHEBRM
COc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1	ZINC000409206159	569386823	/nfs/dbraw/zinc/38/68/23/569386823.db2.gz	VSWHAVWIUINUCK-WDZFZDKYSA-N	-1	0	407.813	3.635	40	30		HHEBRM
C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000208467721	970018332	/nfs/dbraw/zinc/01/83/32/970018332.db2.gz	OVEXDECMKQJPIZ-FOWTUZBSSA-N	-1	0	405.454	3.798	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Cl	ZINC000408537839	557349869	/nfs/dbraw/zinc/34/98/69/557349869.db2.gz	XPJNUXQMGHIMLB-GFCCVEGCSA-N	-1	0	420.650	3.704	40	30		HHEBRM
C#CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(CCC)n1)C(=O)[O-]	ZINC000408631554	557570161	/nfs/dbraw/zinc/57/01/61/557570161.db2.gz	KGSXOCDLGISUHY-UVTDQMKNSA-N	-1	0	422.304	3.750	40	30		HHEBRM
COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(CC(=O)[O-])cc3)c2C)cc1OC	ZINC000020196259	558345250	/nfs/dbraw/zinc/34/52/50/558345250.db2.gz	YEOSZCFQMSIHLX-CVKSISIWSA-N	-1	0	421.497	3.862	40	30		HHEBRM
COc1cc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)NC2=O)cc(Cl)c1OC	ZINC000015932010	558992919	/nfs/dbraw/zinc/99/29/19/558992919.db2.gz	BIFFAGXXNBKMNQ-DHDCSXOGSA-N	-1	0	418.858	3.947	40	30		HHEBRM
CCCCCCCCCCCCN(CCOCCOCCO)C(=O)CCC(=O)[O-]	ZINC000100924193	559141744	/nfs/dbraw/zinc/14/17/44/559141744.db2.gz	YWGFTCIQRCBPMZ-UHFFFAOYSA-N	-1	0	417.587	3.626	40	30		HHEBRM
Oc1ccc(Br)cc1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2	ZINC000104103332	559158064	/nfs/dbraw/zinc/15/80/64/559158064.db2.gz	RXZXILJPDNVGLA-JMIUGGIZSA-N	-1	0	408.365	3.922	40	30		HHEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OCC	ZINC000408882244	560650035	/nfs/dbraw/zinc/65/00/35/560650035.db2.gz	LYMBIIRJDQIBPM-JXAWBTAJSA-N	-1	0	420.465	3.879	40	30		HHEBRM
C=CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OCCC)cc2)C1=O	ZINC000408893494	560651104	/nfs/dbraw/zinc/65/11/04/560651104.db2.gz	AULYHNNZWCCBLZ-CYVLTUHYSA-N	-1	0	406.438	3.707	40	30		HHEBRM
CCOCCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccccc1	ZINC000408961368	560658184	/nfs/dbraw/zinc/65/81/84/560658184.db2.gz	BPVLIRDIMJGVFJ-JEFZPDFESA-N	-1	0	413.455	3.941	40	30		HHEBRM
O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000100455309	560724717	/nfs/dbraw/zinc/72/47/17/560724717.db2.gz	RMCRFERVZNJESC-NGYBGAFCSA-N	-1	0	415.240	3.582	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(C)c1	ZINC000006479032	560742454	/nfs/dbraw/zinc/74/24/54/560742454.db2.gz	QOQIOCOIZITSOY-UHFFFAOYSA-N	-1	0	408.483	3.869	40	30		HHEBRM
Cc1ccc(N2C(=O)[C@H](CC(=O)[O-])S/C2=N\N=C\c2ccc(Cl)cc2)cc1	ZINC000059475391	568707324	/nfs/dbraw/zinc/70/73/24/568707324.db2.gz	SONYPELTJOWKRK-ZLTHYCCCSA-N	-1	0	401.875	3.962	40	30		HHEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O	ZINC000032124721	518838205	/nfs/dbraw/zinc/83/82/05/518838205.db2.gz	ZNSVDEQSSBUUAI-LFIBNONCSA-N	-1	0	423.450	3.702	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C	ZINC000408535293	557330741	/nfs/dbraw/zinc/33/07/41/557330741.db2.gz	NLXFQGNGWOOOSX-MRXNPFEDSA-N	-1	0	403.360	3.924	40	30		HHEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O	ZINC000408536549	557341014	/nfs/dbraw/zinc/34/10/14/557341014.db2.gz	RXMHRMGLGJSQSV-NSHDSACASA-N	-1	0	406.225	3.604	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408740039	557805836	/nfs/dbraw/zinc/80/58/36/557805836.db2.gz	CPHGPEIBKIREKO-IXJMWADBSA-N	-1	0	416.300	3.524	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2ncccc2c1	ZINC000408740774	557806537	/nfs/dbraw/zinc/80/65/37/557806537.db2.gz	IAIXTVWTRMWDTJ-BRUSPLQXSA-N	-1	0	408.870	3.655	40	30		HHEBRM
CCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000408741019	557806574	/nfs/dbraw/zinc/80/65/74/557806574.db2.gz	JGRPIBCVIBHSIJ-FVUPAENESA-N	-1	0	401.875	3.505	40	30		HHEBRM
Cc1cc(=O)[n-]c(N=CNc2ccc(OC(=O)c3ccc(Br)o3)cc2)n1	ZINC000001087634	560555891	/nfs/dbraw/zinc/55/58/91/560555891.db2.gz	LIOAOGXEXJASFR-UHFFFAOYSA-N	-1	0	417.219	3.837	40	30		HHEBRM
C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000408813826	560645010	/nfs/dbraw/zinc/64/50/10/560645010.db2.gz	VFOAGBSETQNJCU-GXDHUFHOSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CC=C	ZINC000408847003	560646669	/nfs/dbraw/zinc/64/66/69/560646669.db2.gz	LXCZJIZMFYLKBG-RCCKNPSSSA-N	-1	0	414.461	3.710	40	30		HHEBRM
Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408913146	560653166	/nfs/dbraw/zinc/65/31/66/560653166.db2.gz	LEVKWWNHMNZWNJ-WYMPLXKRSA-N	-1	0	401.422	3.731	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC	ZINC000409068843	560672652	/nfs/dbraw/zinc/67/26/52/560672652.db2.gz	JFWLLLDSTJPPJB-XMHGGMMESA-N	-1	0	420.465	3.879	40	30		HHEBRM
O=[N+]([O-])c1cccnc1N=NCc1cc(Br)cc(Br)c1[O-]	ZINC000409101638	560677153	/nfs/dbraw/zinc/67/71/53/560677153.db2.gz	PZSLWYODIMKBQD-OMCISZLKSA-N	-1	0	416.029	3.666	40	30		HHEBRM
O=C([O-])COc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1	ZINC000409284738	560706708	/nfs/dbraw/zinc/70/67/08/560706708.db2.gz	VTVSQZAWQVXFAV-UHFFFAOYSA-N	-1	0	405.454	3.790	40	30		HHEBRM
O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)cc1Cl	ZINC000409354784	560714410	/nfs/dbraw/zinc/71/44/10/560714410.db2.gz	AFFMXKGGPTYVDM-UHFFFAOYSA-N	-1	0	409.785	3.596	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccc(C)c1	ZINC000006479033	560742485	/nfs/dbraw/zinc/74/24/85/560742485.db2.gz	IYZYCLIWNDHYDY-UHFFFAOYSA-N	-1	0	408.483	3.869	40	30		HHEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059248386	568703168	/nfs/dbraw/zinc/70/31/68/568703168.db2.gz	KVVFNHLKOUSIPD-FOKLQQMPSA-N	-1	0	422.397	3.722	40	30		HHEBRM
N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)o2)cc1	ZINC000409022428	569386425	/nfs/dbraw/zinc/38/64/25/569386425.db2.gz	NOTQHYBHRNIILN-WOJGMQOQSA-N	-1	0	401.353	3.624	40	30		HHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc(OC)c1OC(C)=O	ZINC000001250091	557251461	/nfs/dbraw/zinc/25/14/61/557251461.db2.gz	BVNZEKFKVKFNIJ-JAIQZWGSSA-N	-1	0	404.492	3.813	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1Cl	ZINC000408533256	557316623	/nfs/dbraw/zinc/31/66/23/557316623.db2.gz	JRXBVFWXGQFXKQ-GFCCVEGCSA-N	-1	0	409.751	3.960	40	30		HHEBRM
Cc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000408740648	557806395	/nfs/dbraw/zinc/80/63/95/557806395.db2.gz	HUSYUURJHLHKIH-ANKPHQHTSA-N	-1	0	416.300	3.524	40	30		HHEBRM
Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000008873430	557812969	/nfs/dbraw/zinc/81/29/69/557812969.db2.gz	SIUWVPTWDQZPSW-ANKPHQHTSA-N	-1	0	416.300	3.524	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3ccccc3Br)C(=O)[N-]C2=S)cc1	ZINC000408757594	558753547	/nfs/dbraw/zinc/75/35/47/558753547.db2.gz	AOKDAWIXAFQFJE-NPNVKNKFSA-N	-1	0	416.300	3.524	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1CC=C	ZINC000408785111	560641362	/nfs/dbraw/zinc/64/13/62/560641362.db2.gz	YKJSIEGVWFEJEO-RCCKNPSSSA-N	-1	0	414.461	3.710	40	30		HHEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408876925	560649456	/nfs/dbraw/zinc/64/94/56/560649456.db2.gz	OVEAJAYIBAAMIR-RAXLEYEMSA-N	-1	0	400.793	3.710	40	30		HHEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409097047	560675973	/nfs/dbraw/zinc/67/59/73/560675973.db2.gz	MDPRWIDABGRDHP-FSJBWODESA-N	-1	0	422.397	3.722	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409252347	560703511	/nfs/dbraw/zinc/70/35/11/560703511.db2.gz	XIOKOOHQBXIPQY-OKHBPPCESA-N	-1	0	416.430	3.578	40	30		HHEBRM
C=CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1	ZINC000409346824	560713045	/nfs/dbraw/zinc/71/30/45/560713045.db2.gz	ODVWOVVKBFKQTQ-RVDMUPIBSA-N	-1	0	402.522	3.859	40	30		HHEBRM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)OC)cc1	ZINC000005672405	569361719	/nfs/dbraw/zinc/36/17/19/569361719.db2.gz	IPSRCHXCUPAZGP-RTPPHFGYSA-N	-1	0	410.451	3.795	40	30		HHEBRM
N#Cc1c(=O)n(-c2ccccc2)nc(C(=O)[O-])c1/C=C\c1cccc(Br)c1	ZINC000409194466	569386684	/nfs/dbraw/zinc/38/66/84/569386684.db2.gz	LXFBUGJOTYRZMB-KTKRTIGZSA-N	-1	0	422.238	3.735	40	30		HHEBRM
Cc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1C	ZINC000409203175	569386827	/nfs/dbraw/zinc/38/68/27/569386827.db2.gz	WQQFMWYURBVKIH-WQLSENKSSA-N	-1	0	414.465	3.656	40	30		HHEBRM
Cc1ccc(Cl)cc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000013119392	569409351	/nfs/dbraw/zinc/40/93/51/569409351.db2.gz	UWTAYGKZYAQHDW-UHFFFAOYSA-N	-1	0	405.888	3.860	40	30		HHEBRM
CCOC(=O)Nc1cc(NC/C(=N/[O-])c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1	ZINC000104236135	520995063	/nfs/dbraw/zinc/99/50/63/520995063.db2.gz	JZAWZILKGUBVDZ-XYGWBWBKSA-N	-1	0	424.417	3.584	40	30		HHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)cc1	ZINC000055389459	523177669	/nfs/dbraw/zinc/17/76/69/523177669.db2.gz	JVKLYNSQJNELIP-NVMNQCDNSA-N	-1	0	405.277	3.967	40	30		HHEBRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1Cn1nnc2ccccc21	ZINC000036184061	523457569	/nfs/dbraw/zinc/45/75/69/523457569.db2.gz	NMDGOHQJDPSSEX-QRVIBDJDSA-N	-1	0	401.426	3.632	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1	ZINC000408535226	557319279	/nfs/dbraw/zinc/31/92/79/557319279.db2.gz	NGZQVOCXVUAULC-HNNXBMFYSA-N	-1	0	403.360	3.924	40	30		HHEBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000408536483	557340408	/nfs/dbraw/zinc/34/04/08/557340408.db2.gz	ROYMAJXIVVQWRS-MRXNPFEDSA-N	-1	0	419.359	3.706	40	30		HHEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)s1	ZINC000223233634	559114273	/nfs/dbraw/zinc/11/42/73/559114273.db2.gz	WPHKNLBSUXGADM-UHFFFAOYSA-N	-1	0	412.345	3.932	40	30		HHEBRM
C/N=C1\S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N1C	ZINC000100201397	559131783	/nfs/dbraw/zinc/13/17/83/559131783.db2.gz	DLUJJCMQZMHANL-ZIKOHYJISA-N	-1	0	412.467	3.504	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408805750	560643429	/nfs/dbraw/zinc/64/34/29/560643429.db2.gz	LHLTVDRZONJQKH-GZTJUZNOSA-N	-1	0	412.829	3.580	40	30		HHEBRM
C=CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408882909	560649989	/nfs/dbraw/zinc/64/99/89/560649989.db2.gz	PKSVCXPHEGNXKP-KAMYIIQDSA-N	-1	0	400.793	3.710	40	30		HHEBRM
C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)N1C	ZINC000408933308	560655821	/nfs/dbraw/zinc/65/58/21/560655821.db2.gz	ALVRVRZIKHACQD-ITWSTJDGSA-N	-1	0	403.891	3.978	40	30		HHEBRM
C[C@@H](Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1)C(=O)[O-]	ZINC000409403983	560721907	/nfs/dbraw/zinc/72/19/07/560721907.db2.gz	OEIZAOJTTVNLPB-MRXNPFEDSA-N	-1	0	413.433	3.798	40	30		HHEBRM
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000006386258	560742600	/nfs/dbraw/zinc/74/26/00/560742600.db2.gz	NBEAUJVYPDAWNJ-DJKKODMXSA-N	-1	0	406.851	3.927	40	30		HHEBRM
C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	ZINC000059135294	568701203	/nfs/dbraw/zinc/70/12/03/568701203.db2.gz	STQDOFBVTDSCSO-SFQUDFHCSA-N	-1	0	408.385	3.743	40	30		HHEBRM
C=CCn1c(C)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000015012480	569004255	/nfs/dbraw/zinc/00/42/55/569004255.db2.gz	ICWLXBFIXMKWCM-UYRXBGFRSA-N	-1	0	403.413	3.941	40	30		HHEBRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1	ZINC000033695119	569362437	/nfs/dbraw/zinc/36/24/37/569362437.db2.gz	UGZRKAIDRXAJBM-UHFFFAOYSA-N	-1	0	407.908	3.892	40	30		HHEBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2sc3c(c2C#N)CCCC3)C1=O	ZINC000408530750	569385801	/nfs/dbraw/zinc/38/58/01/569385801.db2.gz	JNGBWWJDBWCMMA-FOWTUZBSSA-N	-1	0	420.494	3.640	40	30		HHEBRM
N#Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O	ZINC000409084315	569386611	/nfs/dbraw/zinc/38/66/11/569386611.db2.gz	COQDBBBWUYIXMB-WOJGMQOQSA-N	-1	0	424.503	3.813	40	30		HHEBRM
CN(C)c1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(Cl)cc3)nc2C(=O)[O-])cc1	ZINC000409205111	569386882	/nfs/dbraw/zinc/38/68/82/569386882.db2.gz	LYCPNJSIBDGYCB-XGICHPGQSA-N	-1	0	420.856	3.692	40	30		HHEBRM
N#Cc1c(SCC(=O)Nc2nc3ccccc3s2)sc2c1[nH]c(=O)cc2[O-]	ZINC000012360450	569400368	/nfs/dbraw/zinc/40/03/68/569400368.db2.gz	UZHXBLBWHKAGOE-UHFFFAOYSA-N	-1	0	414.493	3.507	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccccc2N2CCOCC2)c1	ZINC000032115415	527325978	/nfs/dbraw/zinc/32/59/78/527325978.db2.gz	IDUSZDIUIXVBIL-YBFXNURJSA-N	-1	0	406.236	3.650	40	30		HHEBRM
CSc1cc(Cl)c(C)cc1S(=O)([O-])=NC(=O)NNc1ccc(F)cc1	ZINC000001857849	557292392	/nfs/dbraw/zinc/29/23/92/557292392.db2.gz	YVVCBZAPCGJEAE-UHFFFAOYSA-N	-1	0	403.888	3.729	40	30		HHEBRM
N#CCSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])cc2s1	ZINC000408748755	557813221	/nfs/dbraw/zinc/81/32/21/557813221.db2.gz	CCCROJKLTLGOFR-UHFFFAOYSA-N	-1	0	414.424	3.771	40	30		HHEBRM
COc1ccc(Cl)cc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000013568718	558843805	/nfs/dbraw/zinc/84/38/05/558843805.db2.gz	JSQDRBKFNWSSOZ-UHFFFAOYSA-N	-1	0	421.887	3.560	40	30		HHEBRM
COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000085382218	558848017	/nfs/dbraw/zinc/84/80/17/558848017.db2.gz	PXBWKXIDPHGOAU-FHNWIRHTSA-N	-1	0	412.467	3.747	40	30		HHEBRM
CN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1cccc(Cl)c1	ZINC000101662181	559147544	/nfs/dbraw/zinc/14/75/44/559147544.db2.gz	VYEDKMHUAGKOHV-GYKMOOBXSA-N	-1	0	417.874	3.628	40	30		HHEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC#N	ZINC000136619496	559290302	/nfs/dbraw/zinc/29/03/02/559290302.db2.gz	GKRVHCQBFVFXPT-RUBMNMQDSA-N	-1	0	414.512	3.819	40	30		HHEBRM
COc1ccccc1[C@H]1C(C(=O)C=Cc2ccccc2)=C(O)C(=O)N1CCCC(=O)[O-]	ZINC000004953158	560617170	/nfs/dbraw/zinc/61/71/70/560617170.db2.gz	HNYCFKQIDGSCSH-TWLJRWAQSA-N	-1	0	421.449	3.538	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408801437	560642488	/nfs/dbraw/zinc/64/24/88/560642488.db2.gz	ARRQGJUYUXRVAZ-LDADJPATSA-N	-1	0	406.438	3.543	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408801743	560642577	/nfs/dbraw/zinc/64/25/77/560642577.db2.gz	BIJLCCUDIKTHNV-LFIBNONCSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408903682	560652423	/nfs/dbraw/zinc/65/24/23/560652423.db2.gz	WGSBJYGGIWNIRM-XSFVSMFZSA-N	-1	0	414.392	3.657	40	30		HHEBRM
N#CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000059136281	568701332	/nfs/dbraw/zinc/70/13/32/568701332.db2.gz	HQPHHLVNTXECOO-RVDMUPIBSA-N	-1	0	404.426	3.976	40	30		HHEBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000015226969	568819073	/nfs/dbraw/zinc/81/90/73/568819073.db2.gz	KCPQFBHSESWEOZ-UUYOSTAYSA-N	-1	0	412.449	3.725	40	30		HHEBRM
CN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1cccc(Cl)c1	ZINC000101662175	523726201	/nfs/dbraw/zinc/72/62/01/523726201.db2.gz	VYEDKMHUAGKOHV-BIDVBJRCSA-N	-1	0	417.874	3.628	40	30		HHEBRM
O=C([O-])c1cc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4CC3)o2)ccc1Cl	ZINC000033837203	526341054	/nfs/dbraw/zinc/34/10/54/526341054.db2.gz	DQVLZPDJSKGTCB-FOECZFPNSA-N	-1	0	424.840	3.829	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408531979	557309493	/nfs/dbraw/zinc/30/94/93/557309493.db2.gz	HRZBNIBXWKLHQA-AWEZNQCLSA-N	-1	0	409.751	3.960	40	30		HHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408535377	557331888	/nfs/dbraw/zinc/33/18/88/557331888.db2.gz	NVSLHEZKLACIJQ-OAHLLOKOSA-N	-1	0	414.259	3.613	40	30		HHEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408750849	557812368	/nfs/dbraw/zinc/81/23/68/557812368.db2.gz	SLCITZINBQQNLN-KSEXSDGBSA-N	-1	0	422.397	3.722	40	30		HHEBRM
COc1ccc(CN(C(=O)CO/N=C/c2ccccc2)c2ccccc2C(=O)[O-])cc1	ZINC000003170791	560588646	/nfs/dbraw/zinc/58/86/46/560588646.db2.gz	SUNXEBKXEOTJQU-MFKUBSTISA-N	-1	0	418.449	3.977	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl	ZINC000408800051	560642199	/nfs/dbraw/zinc/64/21/99/560642199.db2.gz	JSNSARYJQMQPRA-LFIBNONCSA-N	-1	0	412.829	3.580	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408801332	560642486	/nfs/dbraw/zinc/64/24/86/560642486.db2.gz	VGLBVCHLUVMIFX-LDADJPATSA-N	-1	0	406.438	3.543	40	30		HHEBRM
COCCCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccccc1	ZINC000408963022	560658636	/nfs/dbraw/zinc/65/86/36/560658636.db2.gz	LLIWLVGYGFVUBH-JEFZPDFESA-N	-1	0	413.455	3.941	40	30		HHEBRM
O=[N+]([O-])c1cccnc1N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000409066084	560672295	/nfs/dbraw/zinc/67/22/95/560672295.db2.gz	AKJAYTTZWJWDNN-OMCISZLKSA-N	-1	0	416.029	3.666	40	30		HHEBRM
CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)S/C1=N/c1ccc(F)cc1	ZINC000409246452	560701538	/nfs/dbraw/zinc/70/15/38/560701538.db2.gz	IQESGLIMMLCIOL-SYFXMVHNSA-N	-1	0	400.431	3.913	40	30		HHEBRM
C#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21	ZINC000409241163	560702362	/nfs/dbraw/zinc/70/23/62/560702362.db2.gz	JEHUYAWZAIWMKZ-CPNJWEJPSA-N	-1	0	413.502	3.723	40	30		HHEBRM
CCOc1cc(/C=C2/C(=O)N(CCC#N)N=C2C)c(Cl)c(Br)c1O	ZINC000006464377	568936788	/nfs/dbraw/zinc/93/67/88/568936788.db2.gz	FIHJOWQYVINGSL-YRNVUSSQSA-N	-1	0	412.671	3.722	40	30		HHEBRM
C=CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000006320084	568967574	/nfs/dbraw/zinc/96/75/74/568967574.db2.gz	MJUVTQUBRZJQQF-UYRXBGFRSA-N	-1	0	417.490	3.667	40	30		HHEBRM
N#Cc1ccccc1Cn1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000409139882	569386617	/nfs/dbraw/zinc/38/66/17/569386617.db2.gz	PDDYLENJHNMKOY-DJKKODMXSA-N	-1	0	417.446	3.682	40	30		HHEBRM
COc1ccc(-c2nc(SCC(=O)Nc3c(C)cccc3C)[n-]c(=O)c2C#N)cc1	ZINC000027027471	964756733	/nfs/dbraw/zinc/75/67/33/964756733.db2.gz	FPZMMAHUOZVPMR-UHFFFAOYSA-N	-1	0	420.494	3.665	40	30		HHEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000005872609	557678291	/nfs/dbraw/zinc/67/82/91/557678291.db2.gz	JIZCMJSGUHHDNE-HTMJNSLASA-N	-1	0	412.467	3.829	40	30		HHEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000005872615	557678297	/nfs/dbraw/zinc/67/82/97/557678297.db2.gz	JIZCMJSGUHHDNE-RNEAKCBISA-N	-1	0	412.467	3.829	40	30		HHEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC#N)c4ccccc34)C2=O)cc1Cl	ZINC000009265017	557834035	/nfs/dbraw/zinc/83/40/35/557834035.db2.gz	ZSQYNKMPHUUVPL-YVLHZVERSA-N	-1	0	418.840	3.793	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(CN3CCOCC3)cc2)c1	ZINC000016401459	558790101	/nfs/dbraw/zinc/79/01/01/558790101.db2.gz	RXIWNDAPFKQIIO-RGVLZGJSSA-N	-1	0	420.263	3.646	40	30		HHEBRM
N#Cc1c(SCC(=O)Nc2ccc(F)cc2Cl)sc2c1[nH]c(=O)cc2[O-]	ZINC000013990385	559129865	/nfs/dbraw/zinc/12/98/65/559129865.db2.gz	LZABEXDBIBWTGX-UHFFFAOYSA-N	-1	0	409.851	3.690	40	30		HHEBRM
O=C([N-]Cc1ccco1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000104817239	559161686	/nfs/dbraw/zinc/16/16/86/559161686.db2.gz	OCZDFYXDKBOOBF-SSDOTTSWSA-N	-1	0	409.151	3.931	40	30		HHEBRM
CN1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000408795408	560641962	/nfs/dbraw/zinc/64/19/62/560641962.db2.gz	LBHOYIMOWJWMBP-QKQCCSLKSA-N	-1	0	407.245	3.974	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000408807429	560642736	/nfs/dbraw/zinc/64/27/36/560642736.db2.gz	CVQOSWBNFRHLGS-JLHYYAGUSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C/N=C1/S/C(=C\c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C(=O)N1C	ZINC000408853345	560647041	/nfs/dbraw/zinc/64/70/41/560647041.db2.gz	NXFKDTFZDXLSLQ-QDGHFPKDSA-N	-1	0	412.467	3.504	40	30		HHEBRM
Cc1cc2c(cc1/C=C1\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C1=O)OCO2	ZINC000408932772	560655803	/nfs/dbraw/zinc/65/58/03/560655803.db2.gz	ZERRLXFTLRDSPE-APJKSHPGSA-N	-1	0	410.451	3.964	40	30		HHEBRM
CCN1C2=C(C(=O)CCC2)C(c2cc(OC)c([O-])c([N+](=O)[O-])c2)C2=C1CCCC2=O	ZINC000409034954	560668675	/nfs/dbraw/zinc/66/86/75/560668675.db2.gz	IPNWWWWRNSQNAT-UHFFFAOYSA-N	-1	0	412.442	3.742	40	30		HHEBRM
C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC	ZINC000100927009	560726876	/nfs/dbraw/zinc/72/68/76/560726876.db2.gz	RXDBPPWNRIOJDN-ZQRXGZGKSA-N	-1	0	422.462	3.639	40	30		HHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(Br)ccc3O)SC2=N)s1	ZINC000137702744	569363121	/nfs/dbraw/zinc/36/31/21/569363121.db2.gz	PTIFXXMLBZPZSX-FMCCDNIHSA-N	-1	0	410.318	3.986	40	30		HHEBRM
CCC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C(F)(F)[C@H]12	ZINC000071746277	571299276	/nfs/dbraw/zinc/29/92/76/571299276.db2.gz	PVHIRYQSPDZLLG-HWMGRDFZSA-N	-1	0	412.473	3.513	40	30	in-vitro	HHEBRM
COc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccc([N+](=O)[O-])cc1	ZINC000100532572	524533175	/nfs/dbraw/zinc/53/31/75/524533175.db2.gz	JXKQFXNUKVLITQ-FLFQWRMESA-N	-1	0	415.409	3.822	40	30		HHEBRM
O=C([O-])c1cc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@@H]3C=C[C@H]4CC3)o2)ccc1Cl	ZINC000013154713	526341359	/nfs/dbraw/zinc/34/13/59/526341359.db2.gz	DQVLZPDJSKGTCB-NCFPCJDHSA-N	-1	0	424.840	3.829	40	30		HHEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O	ZINC000408532614	557314587	/nfs/dbraw/zinc/31/45/87/557314587.db2.gz	INFSLRXAMMDOFY-ZDUSSCGKSA-N	-1	0	406.225	3.604	40	30		HHEBRM
COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408533390	557316720	/nfs/dbraw/zinc/31/67/20/557316720.db2.gz	YKHBXQOMPMRLJB-DHDCSXOGSA-N	-1	0	418.858	3.704	40	30		HHEBRM
O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408722848	557772056	/nfs/dbraw/zinc/77/20/56/557772056.db2.gz	XSNGOAZGSUAQEC-AWNIVKPZSA-N	-1	0	420.790	3.754	40	30		HHEBRM
COc1ccc2nc3ccccc3nc2c1NC(=O)N=S(=O)([O-])c1ccc(C)cc1	ZINC000081217754	559032078	/nfs/dbraw/zinc/03/20/78/559032078.db2.gz	WLZJIAJDQDZCAD-UHFFFAOYSA-N	-1	0	422.466	3.815	40	30		HHEBRM
O=C1C(=O)N(c2nccs2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1cccs1	ZINC000085409786	559056857	/nfs/dbraw/zinc/05/68/57/559056857.db2.gz	SZYYOYDIJCQPNT-AWEZNQCLSA-N	-1	0	413.436	3.896	40	30		HHEBRM
CN1C(=O)[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(Cl)c1	ZINC000102406230	559150171	/nfs/dbraw/zinc/15/01/71/559150171.db2.gz	GVRXFSTVOQXUFR-BIDVBJRCSA-N	-1	0	417.874	3.628	40	30		HHEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	ZINC000223662297	559165078	/nfs/dbraw/zinc/16/50/78/559165078.db2.gz	VGBFCRGABXKJLA-UHFFFAOYSA-N	-1	0	400.500	3.507	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OCC	ZINC000408802235	560642816	/nfs/dbraw/zinc/64/28/16/560642816.db2.gz	XTYCGDAMPSDONJ-QGOAFFKASA-N	-1	0	420.465	3.933	40	30		HHEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1	ZINC000408858627	560647537	/nfs/dbraw/zinc/64/75/37/560647537.db2.gz	ZPPFKSJQOBVPAU-DJKKODMXSA-N	-1	0	413.655	3.981	40	30		HHEBRM
COc1cc(/C=N\C2CCCCC2)cc(I)c1OCC(=O)[O-]	ZINC000408904191	560651693	/nfs/dbraw/zinc/65/16/93/560651693.db2.gz	GEQPZSFIUWGEOH-NVMNQCDNSA-N	-1	0	417.243	3.515	40	30		HHEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(OC)c3[O-])S2)cc1	ZINC000408950436	560656742	/nfs/dbraw/zinc/65/67/42/560656742.db2.gz	DZVBMQDVMPOGRY-CXUHLZMHSA-N	-1	0	415.427	3.599	40	30		HHEBRM
COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(=O)[O-]	ZINC000409088246	560675117	/nfs/dbraw/zinc/67/51/17/560675117.db2.gz	KOCYJUMUBMHONT-ODCIPOBUSA-N	-1	0	413.308	3.532	40	30		HHEBRM
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)S2)cc1	ZINC000002355923	560731041	/nfs/dbraw/zinc/73/10/41/560731041.db2.gz	NNJIPHJXQKKQKV-WQRHYEAKSA-N	-1	0	412.467	3.613	40	30		HHEBRM
C=CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000005517765	568965603	/nfs/dbraw/zinc/96/56/03/568965603.db2.gz	OVEXDECMKQJPIZ-VBKFSLOCSA-N	-1	0	405.454	3.798	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OC	ZINC000016161642	569005273	/nfs/dbraw/zinc/00/52/73/569005273.db2.gz	YBCXBQHCYBZKLC-CPNJWEJPSA-N	-1	0	420.465	3.661	40	30		HHEBRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cn2cccn2)cc1	ZINC000042315895	569351935	/nfs/dbraw/zinc/35/19/35/569351935.db2.gz	PQSCMMLFUXDDBT-UHFFFAOYSA-N	-1	0	409.389	3.644	40	30		HHEBRM
CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000033732498	569362485	/nfs/dbraw/zinc/36/24/85/569362485.db2.gz	YYHGRUCPHCRICZ-USPXZXIHSA-N	-1	0	418.496	3.511	40	30		HHEBRM
C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2cc(C(=O)[O-])ccc2c1=O	ZINC000013363233	569411970	/nfs/dbraw/zinc/41/19/70/569411970.db2.gz	WXCRNWJSKWDWOY-UHFFFAOYSA-N	-1	0	423.494	3.574	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Br)c1	ZINC000408532616	557314611	/nfs/dbraw/zinc/31/46/11/557314611.db2.gz	INHOKKWLXCLXBU-AWEZNQCLSA-N	-1	0	420.650	3.704	40	30		HHEBRM
O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000002164475	557321030	/nfs/dbraw/zinc/32/10/30/557321030.db2.gz	HQGQFDIUHQQQJD-CNHKJKLMSA-N	-1	0	424.048	3.547	40	30		HHEBRM
Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408741440	557807960	/nfs/dbraw/zinc/80/79/60/557807960.db2.gz	LZEMRXGKEPNQFH-IXJMWADBSA-N	-1	0	416.300	3.524	40	30		HHEBRM
COc1ccccc1[C@@H]1C(C(=O)C=Cc2ccccc2)=C(O)C(=O)N1CCCC(=O)[O-]	ZINC000004953156	560617222	/nfs/dbraw/zinc/61/72/22/560617222.db2.gz	HNYCFKQIDGSCSH-DGXIYAMASA-N	-1	0	421.449	3.538	40	30		HHEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000408798520	560642042	/nfs/dbraw/zinc/64/20/42/560642042.db2.gz	JBDVCFARAKDXFG-XNTDXEJSSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC	ZINC000408809572	560643892	/nfs/dbraw/zinc/64/38/92/560643892.db2.gz	OIFSIFNWGBKVPH-QGOAFFKASA-N	-1	0	420.465	3.933	40	30		HHEBRM
C#CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408877219	560649469	/nfs/dbraw/zinc/64/94/69/560649469.db2.gz	QTNPHLBTQPTJQH-JXAWBTAJSA-N	-1	0	414.392	3.657	40	30		HHEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1	ZINC000408898308	560651685	/nfs/dbraw/zinc/65/16/85/560651685.db2.gz	KUHUBRWWSLFFQF-PGMHBOJBSA-N	-1	0	418.449	3.544	40	30		HHEBRM
CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(=O)[O-]	ZINC000408931601	560655028	/nfs/dbraw/zinc/65/50/28/560655028.db2.gz	NSZGRTDGAVFALC-YDZHTSKRSA-N	-1	0	418.877	3.789	40	30		HHEBRM
COc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010322	560665301	/nfs/dbraw/zinc/66/53/01/560665301.db2.gz	CBQAGAHHRQZSFB-URBFWEADSA-N	-1	0	412.467	3.781	40	30		HHEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(N3CCCC3)cc2)C2=C1CCCC2=O	ZINC000409212028	560695410	/nfs/dbraw/zinc/69/54/10/560695410.db2.gz	LKHGVGPAZIOTGW-UHFFFAOYSA-N	-1	0	420.509	3.785	40	30		HHEBRM
Cc1ccc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)[N-]C2=S)cc1C	ZINC000409375440	560716147	/nfs/dbraw/zinc/71/61/47/560716147.db2.gz	KTYSCRLLSHGOMH-XDHOZWIPSA-N	-1	0	414.490	3.613	40	30		HHEBRM
N#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000409376363	560716332	/nfs/dbraw/zinc/71/63/32/560716332.db2.gz	AEYIUSFEPVCKHG-GZTJUZNOSA-N	-1	0	420.881	3.650	40	30		HHEBRM
CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)[O-])c(Cl)c2)C2=C1CCCC2=O	ZINC000000794897	568480966	/nfs/dbraw/zinc/48/09/66/568480966.db2.gz	LIEMVFURVNPBGL-UHFFFAOYSA-N	-1	0	415.873	3.847	40	30		HHEBRM
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000006735935	569362115	/nfs/dbraw/zinc/36/21/15/569362115.db2.gz	AKFUMXUBBVDJSY-SRZZPIQSSA-N	-1	0	411.370	3.920	40	30		HHEBRM
CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccccc3C)nc2C(=O)[O-])cc1	ZINC000409196229	569386832	/nfs/dbraw/zinc/38/68/32/569386832.db2.gz	OERBFCDLDQONLH-RAXLEYEMSA-N	-1	0	401.422	3.680	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408531982	557309448	/nfs/dbraw/zinc/30/94/48/557309448.db2.gz	HRZBNIBXWKLHQA-CQSZACIVSA-N	-1	0	409.751	3.960	40	30		HHEBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O	ZINC000408536548	557341050	/nfs/dbraw/zinc/34/10/50/557341050.db2.gz	RXMHRMGLGJSQSV-LLVKDONJSA-N	-1	0	406.225	3.604	40	30		HHEBRM
CCCCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1	ZINC000006359628	557700108	/nfs/dbraw/zinc/70/01/08/557700108.db2.gz	IGVCHEQLLDIWJF-UHFFFAOYSA-O	-1	0	401.508	3.890	40	30		HHEBRM
CCn1c2ccccc2nc1NN=Cc1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC000408692905	557706641	/nfs/dbraw/zinc/70/66/41/557706641.db2.gz	YCIIQOZQJLHZJL-UFFVCSGVSA-N	-1	0	402.838	3.628	40	30		HHEBRM
Cc1ccc(N2C(=O)C(=CNc3ccccc3Br)C(=O)[N-]C2=S)cc1	ZINC000408757595	558753510	/nfs/dbraw/zinc/75/35/10/558753510.db2.gz	AOKDAWIXAFQFJE-RNDVCUHJSA-N	-1	0	416.300	3.524	40	30		HHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N/[N-]c1nc(C)c(C(C)=O)s1	ZINC000017222758	558825944	/nfs/dbraw/zinc/82/59/44/558825944.db2.gz	HAGYLYAKAZORDG-HTPWQMBFSA-N	-1	0	401.517	3.886	40	30		HHEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1CC=C	ZINC000408772130	560639172	/nfs/dbraw/zinc/63/91/72/560639172.db2.gz	DFJGCLNRENZVTI-HMMYKYKNSA-N	-1	0	402.450	3.955	40	30		HHEBRM
O=C([O-])c1cc(/N=C\c2cc(Br)c(N3CCOCC3)o2)ccc1Cl	ZINC000408850799	560647185	/nfs/dbraw/zinc/64/71/85/560647185.db2.gz	RHGZDPNKJUEUJJ-OCKHKDLRSA-N	-1	0	413.655	3.981	40	30		HHEBRM
C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000409038643	560668610	/nfs/dbraw/zinc/66/86/10/560668610.db2.gz	AKGNPKDNVYRYKB-XNTDXEJSSA-N	-1	0	415.232	3.672	40	30		HHEBRM
CCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1	ZINC000409072072	560673404	/nfs/dbraw/zinc/67/34/04/560673404.db2.gz	ARXWPUSVUFJBNR-UHFFFAOYSA-N	-1	0	409.482	3.973	40	30		HHEBRM
C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000409072962	560673612	/nfs/dbraw/zinc/67/36/12/560673612.db2.gz	FNYGGRVIXVCCDJ-XMHGGMMESA-N	-1	0	418.449	3.655	40	30		HHEBRM
COc1cccc(CN=Nc2ncccc2[N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409093858	560674588	/nfs/dbraw/zinc/67/45/88/560674588.db2.gz	BAEMCPHENQYJGQ-FSJBWODESA-N	-1	0	422.397	3.722	40	30		HHEBRM
C#CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21	ZINC000409141765	560683516	/nfs/dbraw/zinc/68/35/16/560683516.db2.gz	WQFZTYCLDCJDND-CPNJWEJPSA-N	-1	0	413.502	3.723	40	30		HHEBRM
C/N=C1\S/C(=C\c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000409187455	560688010	/nfs/dbraw/zinc/68/80/10/560688010.db2.gz	QNARLDWWCCEESR-ZWAQFXLXSA-N	-1	0	412.467	3.504	40	30		HHEBRM
CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)S/C1=N/c1ccc(OC)cc1	ZINC000409236799	560699270	/nfs/dbraw/zinc/69/92/70/560699270.db2.gz	HFQZTJAGNSDBSZ-QLHXNQQISA-N	-1	0	412.467	3.783	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1O	ZINC000409242753	560702583	/nfs/dbraw/zinc/70/25/83/560702583.db2.gz	YEKNTSKMSGVIEL-GZTJUZNOSA-N	-1	0	422.506	3.577	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409252344	560703536	/nfs/dbraw/zinc/70/35/36/560703536.db2.gz	XIOKOOHQBXIPQY-FFCYNSPCSA-N	-1	0	416.430	3.578	40	30		HHEBRM
C/N=C1/S/C(=C\c2cc(C)n(-c3cc(C(=O)[O-])ccc3Cl)c2C)C(=O)N1C	ZINC000059105268	568700436	/nfs/dbraw/zinc/70/04/36/568700436.db2.gz	KSGUXPHLDOLVJJ-VIYXUHAESA-N	-1	0	403.891	3.978	40	30		HHEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408742239	569386297	/nfs/dbraw/zinc/38/62/97/569386297.db2.gz	VNNIMWQOGAVJDA-HYARGMPZSA-N	-1	0	423.428	3.804	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1	ZINC000408529070	557294339	/nfs/dbraw/zinc/29/43/39/557294339.db2.gz	BZBFFXSRJAZWIK-OAHLLOKOSA-N	-1	0	414.259	3.667	40	30		HHEBRM
O=c1c2c3c(sc2ncn1/N=C/c1c([O-])c([N+](=O)[O-])cc2ccccc21)CCCC3	ZINC000408733469	557797727	/nfs/dbraw/zinc/79/77/27/557797727.db2.gz	YABUZSZLOKODGJ-AUEPDCJTSA-N	-1	0	420.450	3.986	40	30		HHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408740041	557805869	/nfs/dbraw/zinc/80/58/69/557805869.db2.gz	CPHGPEIBKIREKO-VYXQJKENSA-N	-1	0	416.300	3.524	40	30		HHEBRM
O=[N+]([O-])c1ccc(N=NCc2cc(Br)c([O-])c(Br)c2)nc1	ZINC000408750542	557812328	/nfs/dbraw/zinc/81/23/28/557812328.db2.gz	OQIZIWBMLGVDQP-BNCCVWRVSA-N	-1	0	416.029	3.666	40	30		HHEBRM
C=CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000224945151	559265018	/nfs/dbraw/zinc/26/50/18/559265018.db2.gz	IMPGCBLNOYQLNQ-UHFFFAOYSA-N	-1	0	416.282	3.838	40	30		HHEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1F	ZINC000004953164	560617217	/nfs/dbraw/zinc/61/72/17/560617217.db2.gz	BCGJGTSOXYSSNX-JNCYCUAHSA-N	-1	0	409.413	3.668	40	30		HHEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408808679	560643757	/nfs/dbraw/zinc/64/37/57/560643757.db2.gz	QTYRWLVFFIAJKC-RVDMUPIBSA-N	-1	0	412.829	3.580	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O	ZINC000408874016	560649211	/nfs/dbraw/zinc/64/92/11/560649211.db2.gz	YPMIIGFNSXOIOA-LGMDPLHJSA-N	-1	0	408.841	3.581	40	30		HHEBRM
COc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010321	560665272	/nfs/dbraw/zinc/66/52/72/560665272.db2.gz	CBQAGAHHRQZSFB-HVISPHDBSA-N	-1	0	412.467	3.781	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(C=NNc2ccc(C(F)(F)F)cn2)c1	ZINC000409068347	560672596	/nfs/dbraw/zinc/67/25/96/560672596.db2.gz	SFVIPMADZBDQCD-PTXOJBNSSA-N	-1	0	405.130	3.923	40	30		HHEBRM
C#CCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2	ZINC000409074939	560672873	/nfs/dbraw/zinc/67/28/73/560672873.db2.gz	OQNLMTDBWDGXLO-UHFFFAOYSA-N	-1	0	419.477	3.587	40	30		HHEBRM
COc1cccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409248601	560701814	/nfs/dbraw/zinc/70/18/14/560701814.db2.gz	HHCZIODIZRDADY-MFVBVHDHSA-N	-1	0	412.467	3.747	40	30		HHEBRM
C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000409345128	560712148	/nfs/dbraw/zinc/71/21/48/560712148.db2.gz	KJQNVOFRSLZPCI-JYRVWZFOSA-N	-1	0	413.904	3.589	40	30		HHEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC	ZINC000059104705	568700643	/nfs/dbraw/zinc/70/06/43/568700643.db2.gz	VDENGJMIRWCHQI-MHWRWJLKSA-N	-1	0	406.394	3.659	40	30		HHEBRM
CCOC(=O)/C(=N/[N-]c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000003123888	568856982	/nfs/dbraw/zinc/85/69/82/568856982.db2.gz	ZXKHBXPQXJFMSB-HKWRFOASSA-N	-1	0	401.271	3.756	40	30		HHEBRM
Cc1cccc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)[N-]C2=S)c1C	ZINC000108039872	569353326	/nfs/dbraw/zinc/35/33/26/569353326.db2.gz	QSIQFTUHVCJQPC-LDADJPATSA-N	-1	0	414.490	3.613	40	30		HHEBRM
N#Cc1c(=O)n(-c2ccccc2)nc(C(=O)[O-])c1/C=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000409201624	569386884	/nfs/dbraw/zinc/38/68/84/569386884.db2.gz	WWGBKYLLMFJVNF-VURMDHGXSA-N	-1	0	422.784	3.534	40	30		HHEBRM
COc1cc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000016914517	521951950	/nfs/dbraw/zinc/95/19/50/521951950.db2.gz	URGQTGNTKKSFDI-VBEHJTROSA-N	-1	0	412.467	3.747	40	30		HHEBRM
O=C([O-])COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl	ZINC000019973740	527617312	/nfs/dbraw/zinc/61/73/12/527617312.db2.gz	CAWHIRSJFMIFDK-UHFFFAOYSA-N	-1	0	401.846	3.504	40	30		HHEBRM
O=C([O-])COc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000001302577	557254206	/nfs/dbraw/zinc/25/42/06/557254206.db2.gz	OBSFERPPJRRDHN-ZBKNUEDVSA-N	-1	0	423.281	3.886	40	30		HHEBRM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408529915	557292047	/nfs/dbraw/zinc/29/20/47/557292047.db2.gz	DKKGRKDMINPAPI-CQSZACIVSA-N	-1	0	409.751	3.960	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000408537261	557338234	/nfs/dbraw/zinc/33/82/34/557338234.db2.gz	UUQLBTHVRRUACN-CQSZACIVSA-N	-1	0	420.650	3.704	40	30		HHEBRM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1	ZINC000408537864	557350279	/nfs/dbraw/zinc/35/02/79/557350279.db2.gz	XUFZOKFGJJNUNP-ZDUSSCGKSA-N	-1	0	406.225	3.604	40	30		HHEBRM
O=C([O-])c1ccc(Cn2cc(CN=Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)o1	ZINC000408543794	557360781	/nfs/dbraw/zinc/36/07/81/557360781.db2.gz	TXJILYADJXTHHJ-LSFURLLWSA-N	-1	0	405.370	3.730	40	30		HHEBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2cnccc21	ZINC000408742283	557808838	/nfs/dbraw/zinc/80/88/38/557808838.db2.gz	QNDQWOVCTPERQF-BRUSPLQXSA-N	-1	0	408.870	3.655	40	30		HHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2N2CCOCC2)c1[O-]	ZINC000032114938	558753766	/nfs/dbraw/zinc/75/37/66/558753766.db2.gz	BQNAEHWRHCBWAO-YBFXNURJSA-N	-1	0	406.236	3.650	40	30		HHEBRM
O=C1c2ccccc2C(=O)N1/N=C/c1c(Br)ccc(Br)c1[O-]	ZINC000016524331	558795218	/nfs/dbraw/zinc/79/52/18/558795218.db2.gz	YTXMHCDATOMSMF-CNHKJKLMSA-N	-1	0	424.048	3.547	40	30		HHEBRM
C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21	ZINC000408820859	560645506	/nfs/dbraw/zinc/64/55/06/560645506.db2.gz	ZVHBNNNPVDNZGP-XMHGGMMESA-N	-1	0	401.491	3.967	40	30		HHEBRM
COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c1	ZINC000408932938	560655807	/nfs/dbraw/zinc/65/58/07/560655807.db2.gz	FUQSZIHBZVQDLB-ZSMCLDEPSA-N	-1	0	412.467	3.944	40	30		HHEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408960645	560657592	/nfs/dbraw/zinc/65/75/92/560657592.db2.gz	HOUXTGWLSRXYNN-OQLLNIDSSA-N	-1	0	403.391	3.730	40	30		HHEBRM
Cc1cc2c(cc1/C=C1\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC1=O)OCO2	ZINC000408994717	560663262	/nfs/dbraw/zinc/66/32/62/560663262.db2.gz	ZUIPFIWBLIXUQL-SOFYXZRVSA-N	-1	0	416.842	3.967	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1O	ZINC000409011507	560665502	/nfs/dbraw/zinc/66/55/02/560665502.db2.gz	NPJVNBOIYSTDCE-WOJGMQOQSA-N	-1	0	422.506	3.577	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1O	ZINC000409377243	560718045	/nfs/dbraw/zinc/71/80/45/560718045.db2.gz	GXAFQYLZHMHHQK-LDADJPATSA-N	-1	0	422.506	3.523	40	30		HHEBRM
N#Cc1c(=O)n(-c2ccc(Cl)cc2)nc(C(=O)[O-])c1/C=C/c1ccccc1[N+](=O)[O-]	ZINC000409200211	569386799	/nfs/dbraw/zinc/38/67/99/569386799.db2.gz	QVYJUSCJVGKHCN-BJMVGYQFSA-N	-1	0	422.784	3.534	40	30		HHEBRM
COc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(Cl)cc3)nc2C(=O)[O-])cc1	ZINC000409198147	569386805	/nfs/dbraw/zinc/38/68/05/569386805.db2.gz	YEUWVISWNXNSRM-WCIBSUBMSA-N	-1	0	407.813	3.635	40	30		HHEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408530441	557298920	/nfs/dbraw/zinc/29/89/20/557298920.db2.gz	FJPKELGKUHJKAS-CQSZACIVSA-N	-1	0	420.650	3.704	40	30		HHEBRM
CCOC(=O)Nc1cc(NC/C(=N\[O-])c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1	ZINC000016941275	558809520	/nfs/dbraw/zinc/80/95/20/558809520.db2.gz	JZAWZILKGUBVDZ-PCLIKHOPSA-N	-1	0	424.417	3.584	40	30		HHEBRM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408759039	559271596	/nfs/dbraw/zinc/27/15/96/559271596.db2.gz	WVPKJKGPDVHWEC-CSMVZQPBSA-N	-1	0	408.527	3.608	40	30		HHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=N)s1	ZINC000136806059	559290441	/nfs/dbraw/zinc/29/04/41/559290441.db2.gz	LHXVVHYIISGCAL-XSEWGKRKSA-N	-1	0	405.501	3.544	40	30		HHEBRM
O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000004953161	560617227	/nfs/dbraw/zinc/61/72/27/560617227.db2.gz	WAHDVZAPRVNXQO-CDDKBXLESA-N	-1	0	409.413	3.668	40	30		HHEBRM
COc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409077166	560673042	/nfs/dbraw/zinc/67/30/42/560673042.db2.gz	DFEQLMUEQCEQBO-CHHVJCJISA-N	-1	0	401.802	3.942	40	30		HHEBRM
C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c2ccccc21	ZINC000409221187	560698749	/nfs/dbraw/zinc/69/87/49/560698749.db2.gz	MFYGKZSWPLBAHW-QGOAFFKASA-N	-1	0	401.491	3.967	40	30		HHEBRM
O=C([O-])c1cc(-c2ccc(C=Nn3c(=O)[nH]c4ccccc4c3=O)o2)ccc1Cl	ZINC000409363462	560715092	/nfs/dbraw/zinc/71/50/92/560715092.db2.gz	WEOWFQAUYWUUCT-UHFFFAOYSA-N	-1	0	409.785	3.596	40	30		HHEBRM
O=C([O-])Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc21	ZINC000409406674	560722283	/nfs/dbraw/zinc/72/22/83/560722283.db2.gz	YEAPDWAWKACQSC-UHFFFAOYSA-N	-1	0	422.444	3.985	40	30		HHEBRM
COCc1cc(C)nc(N=NCc2cc(Br)cc(Cl)c2[O-])c1C#N	ZINC000059433722	568706751	/nfs/dbraw/zinc/70/67/51/568706751.db2.gz	LVWRWGFSDIMYSK-IFRROFPPSA-N	-1	0	409.671	3.976	40	30		HHEBRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1	ZINC000048514662	569352239	/nfs/dbraw/zinc/35/22/39/569352239.db2.gz	WCQJVUWYSLNMLH-UHFFFAOYSA-N	-1	0	412.389	3.526	40	30		HHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)Cc2ccccc2)c1	ZINC000005598884	557664620	/nfs/dbraw/zinc/66/46/20/557664620.db2.gz	QGGFZTZVQXDLBH-FYJGNVAPSA-N	-1	0	411.439	3.993	40	30		HHEBRM
COc1cccc(CN=Nc2ccc([N+](=O)[O-])cn2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000009259076	557832956	/nfs/dbraw/zinc/83/29/56/557832956.db2.gz	RVDABQVTEZSHKK-KSEXSDGBSA-N	-1	0	422.397	3.722	40	30		HHEBRM
O=C1c2ccccc2C(=O)N1/N=C\c1cc(Br)cc(Br)c1[O-]	ZINC000019879208	558300263	/nfs/dbraw/zinc/30/02/63/558300263.db2.gz	HQGQFDIUHQQQJD-WSVATBPTSA-N	-1	0	424.048	3.547	40	30		HHEBRM
CO[C@@]1([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2C(=O)C(Cl)=C1Cl	ZINC000000837130	559282217	/nfs/dbraw/zinc/28/22/17/559282217.db2.gz	FAJWYJXYEQZDGW-SFHVURJKSA-N	-1	0	412.294	3.658	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408806995	560642697	/nfs/dbraw/zinc/64/26/97/560642697.db2.gz	JROUWFNEKNJARD-MHWRWJLKSA-N	-1	0	415.232	3.672	40	30		HHEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408812854	560644267	/nfs/dbraw/zinc/64/42/67/560644267.db2.gz	PSCWCEHFSRVLGU-SDNWHVSQSA-N	-1	0	415.232	3.672	40	30		HHEBRM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)S1	ZINC000408885173	560649889	/nfs/dbraw/zinc/64/98/89/560649889.db2.gz	XMZMOTZHGYUPSY-SXGWCWSVSA-N	-1	0	415.427	3.518	40	30		HHEBRM
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)[O-]	ZINC000409088233	560674964	/nfs/dbraw/zinc/67/49/64/560674964.db2.gz	KKJDFAZKAOBOQL-GEVRCRHISA-N	-1	0	403.744	3.672	40	30		HHEBRM
O=C([O-])COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br	ZINC000409097626	560676049	/nfs/dbraw/zinc/67/60/49/560676049.db2.gz	NLFPBVORVWDBQQ-AERZKKPOSA-N	-1	0	418.169	3.772	40	30		HHEBRM
C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O	ZINC000409139618	560683168	/nfs/dbraw/zinc/68/31/68/560683168.db2.gz	BMSRGTJJKFDLAZ-GZTJUZNOSA-N	-1	0	412.829	3.696	40	30		HHEBRM
CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCC(=O)[O-]	ZINC000409211496	560695219	/nfs/dbraw/zinc/69/52/19/560695219.db2.gz	OAKVEJXDGWEKKQ-CZZIWQEQSA-N	-1	0	406.504	3.638	40	30		HHEBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000409376076	560716320	/nfs/dbraw/zinc/71/63/20/560716320.db2.gz	TYJDQIABYBOUAT-XDHOZWIPSA-N	-1	0	414.490	3.613	40	30		HHEBRM
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(NC(=S)NC(=O)CC)cc2)c1[O-]	ZINC000006386255	560742628	/nfs/dbraw/zinc/74/26/28/560742628.db2.gz	IVHDSRBTSMFQTO-RGVLZGJSSA-N	-1	0	416.459	3.673	40	30		HHEBRM
C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCC(=O)[O-]	ZINC000005876845	568965895	/nfs/dbraw/zinc/96/58/95/568965895.db2.gz	LQZNCDDFVQCWSY-UNOMPAQXSA-N	-1	0	406.438	3.693	40	30		HHEBRM
CCc1n[n-]c(=S)n1N=Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	ZINC000017649335	569345235	/nfs/dbraw/zinc/34/52/35/569345235.db2.gz	JRSNTFQJDHVCNQ-RGVLZGJSSA-N	-1	0	413.459	3.881	40	30		HHEBRM
CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(C)c3)nc2C(=O)[O-])cc1	ZINC000409205891	569386801	/nfs/dbraw/zinc/38/68/01/569386801.db2.gz	QKFAMRLNWJGSDO-WQLSENKSSA-N	-1	0	415.449	3.988	40	30		HHEBRM
N#Cc1c(=O)n(-c2ccccc2)nc(C(=O)[O-])c1/C=C\c1ccc(Br)cc1	ZINC000409207167	569386803	/nfs/dbraw/zinc/38/68/03/569386803.db2.gz	PYNQMLMURQCHHM-FLIBITNWSA-N	-1	0	422.238	3.735	40	30		HHEBRM