smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)[N-]C2=S)c1	ZINC000009260382	132337755	/nfs/dbraw/zinc/33/77/55/132337755.db2.gz	URFMZXWGESLYRZ-VGOFMYFVSA-N	-1	0	421.341	3.959	40	10		HHCBRM
O=C1c2ccccc2C(=O)C1(Cl)C1(S(=O)(=O)[O-])c2ccccc2-c2ccccc21	ZINC000001620125	557276475	/nfs/dbraw/zinc/27/64/75/557276475.db2.gz	MINRSXMHBQLQJQ-UHFFFAOYSA-N	-1	0	424.861	3.855	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNNc3cc(Cl)ccc3Cl)C2=O)c1	ZINC000408536002	557326593	/nfs/dbraw/zinc/32/65/93/557326593.db2.gz	VDVVHIRNAWUZAT-UKTHLTGXSA-N	-1	0	419.268	3.694	40	10		HHCBRM
Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C	ZINC000408551161	557422716	/nfs/dbraw/zinc/42/27/16/557422716.db2.gz	LSRFCNJLLXRIFV-LCYFTJDESA-N	-1	0	403.866	3.840	40	10		HHCBRM
COc1cc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCC(=O)[O-]	ZINC000006268161	557696910	/nfs/dbraw/zinc/69/69/10/557696910.db2.gz	IGLMQLKTIMWJBD-ZDLGFXPLSA-N	-1	0	412.467	3.858	40	10		HHCBRM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000008820361	557810042	/nfs/dbraw/zinc/81/00/42/557810042.db2.gz	WQINZJPWDMGUTC-NPDFUIFFSA-N	-1	0	424.503	3.781	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC(=O)[O-])c3)SC2=S)c(C)c1	ZINC000009188612	557826066	/nfs/dbraw/zinc/82/60/66/557826066.db2.gz	FFDLAUOYKGCGNE-MFOYZWKCSA-N	-1	0	415.492	3.878	40	10		HHCBRM
Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013136575	558521259	/nfs/dbraw/zinc/52/12/59/558521259.db2.gz	WBRNYUCRCLWKMP-UDWIEESQSA-N	-1	0	415.474	3.563	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1	ZINC000083261369	558833108	/nfs/dbraw/zinc/83/31/08/558833108.db2.gz	PEYMGHGTSFXQHG-NTEUORMPSA-N	-1	0	417.215	3.670	40	10		HHCBRM
CCOc1ccc(N=Nc2c(C)[n-]n(C(=O)CC(=O)Nc3ccc(C)cc3)c2=O)cc1	ZINC000104314528	559160273	/nfs/dbraw/zinc/16/02/73/559160273.db2.gz	SPNIVWLVNYTIJT-AGHKFTSRSA-N	-1	0	421.457	3.620	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000408801889	560642540	/nfs/dbraw/zinc/64/25/40/560642540.db2.gz	WKRCPKHVBZKLSV-MHWRWJLKSA-N	-1	0	414.845	3.804	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cs1	ZINC000408898033	560651590	/nfs/dbraw/zinc/65/15/90/560651590.db2.gz	KRHXHLFSQCMFCP-WUXMJOGZSA-N	-1	0	411.664	3.830	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C1=O	ZINC000408955687	560657453	/nfs/dbraw/zinc/65/74/53/560657453.db2.gz	YNGSNENPXCUBTN-HMMYKYKNSA-N	-1	0	415.449	3.715	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1	ZINC000408961638	560658357	/nfs/dbraw/zinc/65/83/57/560658357.db2.gz	UHPPDXGEEPVQOG-RCCKNPSSSA-N	-1	0	403.482	3.824	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccn1	ZINC000408962989	560658653	/nfs/dbraw/zinc/65/86/53/560658653.db2.gz	WVWATUVSRWACHD-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)c1	ZINC000408964011	560658783	/nfs/dbraw/zinc/65/87/83/560658783.db2.gz	FDRZYVCFIYAWHN-CPNJWEJPSA-N	-1	0	403.413	3.900	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)cc(C)c2)C1=O	ZINC000409020710	560666721	/nfs/dbraw/zinc/66/67/21/560666721.db2.gz	SINPYWVVFIUIAQ-MHWRWJLKSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409391724	560718941	/nfs/dbraw/zinc/71/89/41/560718941.db2.gz	JPRGSCNDPFISBS-CPNJWEJPSA-N	-1	0	401.422	3.688	40	10		HHCBRM
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409392786	560719311	/nfs/dbraw/zinc/71/93/11/560719311.db2.gz	NQSUDPVZFVQZCD-GZTJUZNOSA-N	-1	0	407.813	3.970	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409398755	560720754	/nfs/dbraw/zinc/72/07/54/560720754.db2.gz	CMBXYYBGVVGFSU-ZHZULCJRSA-N	-1	0	415.405	3.635	40	10		HHCBRM
CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000169619759	560765013	/nfs/dbraw/zinc/76/50/13/560765013.db2.gz	XXEHSBZPOHEQAK-GNNBREFNSA-N	-1	0	403.500	3.511	40	10		HHCBRM
CCOc1ccccc1N=C(C)c1c(CC(=O)OC)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112288070	560777955	/nfs/dbraw/zinc/77/79/55/560777955.db2.gz	CLVHJGJQFZTYLE-STZFKDTASA-N	-1	0	411.433	3.876	40	10		HHCBRM
CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000225773905	568673431	/nfs/dbraw/zinc/67/34/31/568673431.db2.gz	FPUNATGJXAZBLG-YEJOONJESA-N	-1	0	417.527	3.901	40	10		HHCBRM
COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000033313614	568696761	/nfs/dbraw/zinc/69/67/61/568696761.db2.gz	LXTFAHBNDNREFA-AUWJEWJLSA-N	-1	0	421.814	3.508	40	10		HHCBRM
CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000059198186	568702502	/nfs/dbraw/zinc/70/25/02/568702502.db2.gz	GYKFYYFFEVJMAK-UKTHLTGXSA-N	-1	0	404.220	3.615	40	10		HHCBRM
COc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1	ZINC000257278483	568798245	/nfs/dbraw/zinc/79/82/45/568798245.db2.gz	OCLCOQAJLOYIRZ-UHFFFAOYSA-N	-1	0	416.477	3.996	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccccc1	ZINC000013343662	568999926	/nfs/dbraw/zinc/99/99/26/568999926.db2.gz	PXTOHAYEDIHZAY-YVLHZVERSA-N	-1	0	415.492	3.560	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000033584428	569360225	/nfs/dbraw/zinc/36/02/25/569360225.db2.gz	WPIPSDCBFYBKLV-NDENLUEZSA-N	-1	0	415.449	3.562	40	10		HHCBRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107611790	569361008	/nfs/dbraw/zinc/36/10/08/569361008.db2.gz	NTRCUWKMEWGLFQ-ZENNRRHLSA-N	-1	0	415.833	3.887	40	10		HHCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNNc3cccc4ccccc43)C2=O)c(C)c1	ZINC000408534944	557313466	/nfs/dbraw/zinc/31/34/66/557313466.db2.gz	WWZGMIPSQBEEFB-CPNJWEJPSA-N	-1	0	414.465	3.848	40	10		HHCBRM
CCCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@@H]3C=C[C@@H](CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000035898096	557651136	/nfs/dbraw/zinc/65/11/36/557651136.db2.gz	GRMRNUJFJXZTGH-KNPMLCFXSA-N	-1	0	403.500	3.655	40	10		HHCBRM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(O)ccc3Br)C2=O)cc1Cl	ZINC000005795328	557674965	/nfs/dbraw/zinc/67/49/65/557674965.db2.gz	UORXSGIKALHNMD-QPEQYQDCSA-N	-1	0	407.651	3.578	40	10		HHCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000408740283	557806172	/nfs/dbraw/zinc/80/61/72/557806172.db2.gz	FIVBMKBYYSXGEE-OQLLNIDSSA-N	-1	0	401.285	3.589	40	10		HHCBRM
Cc1nn(-c2ccc(C)cc2)c(C)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408755265	557817326	/nfs/dbraw/zinc/81/73/26/557817326.db2.gz	CKKFVWBMXXJNMC-FYJGNVAPSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cccc4ccccc43)C2=O)c(C)c1	ZINC000016284848	558783716	/nfs/dbraw/zinc/78/37/16/558783716.db2.gz	ZQQMGZWZBFAIAC-QGOAFFKASA-N	-1	0	400.438	3.540	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O	ZINC000408799846	560642239	/nfs/dbraw/zinc/64/22/39/560642239.db2.gz	IIUZNJVQSBTHHD-CPNJWEJPSA-N	-1	0	408.454	3.713	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)cc1	ZINC000409096629	560675888	/nfs/dbraw/zinc/67/58/88/560675888.db2.gz	KNQVOWJALNIWPG-QGOAFFKASA-N	-1	0	407.445	3.655	40	10		HHCBRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409100248	560676881	/nfs/dbraw/zinc/67/68/81/560676881.db2.gz	VRBKHQYRVAGPMR-UJFYRASASA-N	-1	0	415.423	3.551	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)c(C)c1	ZINC000409131785	560680532	/nfs/dbraw/zinc/68/05/32/560680532.db2.gz	OWXINRRZALDXEP-LDADJPATSA-N	-1	0	423.513	3.874	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(OCC)c1	ZINC000409123850	560680733	/nfs/dbraw/zinc/68/07/33/560680733.db2.gz	FCNONOGERXFMPM-LDADJPATSA-N	-1	0	424.522	3.932	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1OC(C)C	ZINC000409222604	560698955	/nfs/dbraw/zinc/69/89/55/560698955.db2.gz	CGOCBQIBKHBWEM-LFIBNONCSA-N	-1	0	410.495	3.622	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000409232821	560700693	/nfs/dbraw/zinc/70/06/93/560700693.db2.gz	SHIRHZHFGSPWSI-QGOAFFKASA-N	-1	0	405.454	3.756	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)o1	ZINC000409242494	560702568	/nfs/dbraw/zinc/70/25/68/560702568.db2.gz	VHSKRKKUVWKLIN-SDNWHVSQSA-N	-1	0	401.850	3.754	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000409399638	560720740	/nfs/dbraw/zinc/72/07/40/560720740.db2.gz	LABUTDQMPBFXBU-GDNBJRDFSA-N	-1	0	401.260	3.698	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1F	ZINC000006407640	560742033	/nfs/dbraw/zinc/74/20/33/560742033.db2.gz	DKWALLQWQNDRSB-XMHGGMMESA-N	-1	0	418.424	3.875	40	10		HHCBRM
CCOc1ccccc1N=C(C)c1c(CC(=O)OC)[n-]n(-c2ccc(OC)cc2)c1=O	ZINC000112290867	560778199	/nfs/dbraw/zinc/77/81/99/560778199.db2.gz	WKLLSFTYYIQMQJ-JCMHNJIXSA-N	-1	0	423.469	3.746	40	10		HHCBRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)ccc1C	ZINC000223824849	568559998	/nfs/dbraw/zinc/55/99/98/568559998.db2.gz	AGYRQHYABWBRMX-UHFFFAOYSA-N	-1	0	409.463	3.813	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl	ZINC000059426689	568706355	/nfs/dbraw/zinc/70/63/55/568706355.db2.gz	BVGAWBLFGOEQAU-MDWZMJQESA-N	-1	0	406.181	3.568	40	10		HHCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)o2)c1	ZINC000002116500	568932567	/nfs/dbraw/zinc/93/25/67/568932567.db2.gz	OIJLHUPTLVXSOM-WQRHYEAKSA-N	-1	0	406.369	3.877	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000034839645	569360577	/nfs/dbraw/zinc/36/05/77/569360577.db2.gz	KLMVZMKOXICUSW-KPENOIPVSA-N	-1	0	415.833	3.887	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1	ZINC000009264419	132337751	/nfs/dbraw/zinc/33/77/51/132337751.db2.gz	PYYBYMHVHJPNKI-QNGOZBTKSA-N	-1	0	403.482	3.960	40	10		HHCBRM
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000225752631	519751934	/nfs/dbraw/zinc/75/19/34/519751934.db2.gz	CJMKMKWRGVGPJV-YEJOONJESA-N	-1	0	417.527	3.900	40	10		HHCBRM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	ZINC000000631629	557027032	/nfs/dbraw/zinc/02/70/32/557027032.db2.gz	VKGNBENPIWSSNL-CIAFOILYSA-N	-1	0	405.429	3.993	40	10		HHCBRM
C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2cccnc2c1O	ZINC000004627698	557574033	/nfs/dbraw/zinc/57/40/33/557574033.db2.gz	WUMBPDDONXYOSU-AWEZNQCLSA-N	-1	0	421.482	3.704	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000005214087	557640301	/nfs/dbraw/zinc/64/03/01/557640301.db2.gz	RIRGBKAZVBXSCD-XGHPXPSOSA-N	-1	0	415.492	3.818	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000035898123	557651119	/nfs/dbraw/zinc/65/11/19/557651119.db2.gz	KTHFHVLRIZBOIV-XRQSXFTLSA-N	-1	0	417.527	3.901	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc4c5c(cccc53)CC4)C(=O)[N-]C2=S)cc1	ZINC000408752660	557816377	/nfs/dbraw/zinc/81/63/77/557816377.db2.gz	JCKRDEUTDLKEIB-MOSHPQCFSA-N	-1	0	414.486	3.778	40	10		HHCBRM
CCN(CC)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)[O-])N2C(C)=O)cc1	ZINC000055112340	558873031	/nfs/dbraw/zinc/87/30/31/558873031.db2.gz	XOWSUJVGLNYDSE-FYYLOGMGSA-N	-1	0	405.498	3.961	40	10		HHCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005373876	560574521	/nfs/dbraw/zinc/57/45/21/560574521.db2.gz	JOEKMCMKTOQUPK-FZOIYJTDSA-N	-1	0	404.307	3.743	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408801300	560642460	/nfs/dbraw/zinc/64/24/60/560642460.db2.gz	UYYJGILOJOLXRY-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(OC(C)C)c1	ZINC000408801906	560642535	/nfs/dbraw/zinc/64/25/35/560642535.db2.gz	WSDLKCMEMFZOKI-WOJGMQOQSA-N	-1	0	408.454	3.766	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1	ZINC000408813356	560643539	/nfs/dbraw/zinc/64/35/39/560643539.db2.gz	UBZYQXBLLPFYKX-MHWRWJLKSA-N	-1	0	414.845	3.802	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000408819025	560644974	/nfs/dbraw/zinc/64/49/74/560644974.db2.gz	WIXUAZFUYQRFAA-GXDHUFHOSA-N	-1	0	415.243	3.514	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O	ZINC000408869796	560648283	/nfs/dbraw/zinc/64/82/83/560648283.db2.gz	UAFSDMOQIRBVTM-AQTBWJFISA-N	-1	0	408.454	3.713	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccccc1Cc1ccccc1F	ZINC000408876613	560649465	/nfs/dbraw/zinc/64/94/65/560649465.db2.gz	QLRKHDYTVRMCAX-XSFVSMFZSA-N	-1	0	416.408	3.789	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	ZINC000408901730	560651494	/nfs/dbraw/zinc/65/14/94/560651494.db2.gz	BDWNLDYZIDMKBA-LDADJPATSA-N	-1	0	409.804	3.936	40	10		HHCBRM
CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000408913591	560653649	/nfs/dbraw/zinc/65/36/49/560653649.db2.gz	MGTSHTKOKVLHCY-VGOFMYFVSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)[N-]C1=S	ZINC000408961973	560658427	/nfs/dbraw/zinc/65/84/27/560658427.db2.gz	WFNIHFNPTRAMIF-HMMYKYKNSA-N	-1	0	419.550	3.989	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000409107762	560678755	/nfs/dbraw/zinc/67/87/55/560678755.db2.gz	UKBXGDHTAGEPPW-JLHYYAGUSA-N	-1	0	404.850	3.709	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000409134575	560682164	/nfs/dbraw/zinc/68/21/64/560682164.db2.gz	WGLHXYVHJDRXKD-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O	ZINC000409237474	560699361	/nfs/dbraw/zinc/69/93/61/560699361.db2.gz	USVCODRRANEYAV-SDNWHVSQSA-N	-1	0	400.887	3.959	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)ccc1OC	ZINC000409238466	560699556	/nfs/dbraw/zinc/69/95/56/560699556.db2.gz	DKTDKCHSKCYKTD-JLHYYAGUSA-N	-1	0	416.886	3.579	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)[N-]C1=S	ZINC000409239987	560699974	/nfs/dbraw/zinc/69/99/74/560699974.db2.gz	PCKABNBSXSKHBH-KPKJPENVSA-N	-1	0	407.314	3.650	40	10		HHCBRM
CCOc1c(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cccc1OC	ZINC000409346593	560712906	/nfs/dbraw/zinc/71/29/06/560712906.db2.gz	LPZDSRZJECYVNR-GXDHUFHOSA-N	-1	0	420.537	3.702	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)cc1	ZINC000409376561	560717857	/nfs/dbraw/zinc/71/78/57/560717857.db2.gz	ZIXCFNQSKTUIIS-CPNJWEJPSA-N	-1	0	423.513	3.820	40	10		HHCBRM
CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000026509988	560890985	/nfs/dbraw/zinc/89/09/85/560890985.db2.gz	BMMQLOLNUTWHOM-WJDWOHSUSA-N	-1	0	409.529	3.940	40	10		HHCBRM
CCN1c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2C(C)=CC1(C)C	ZINC000208512985	568446829	/nfs/dbraw/zinc/44/68/29/568446829.db2.gz	WQHFXEDNKUVPPS-CXUHLZMHSA-N	-1	0	402.541	3.994	40	10		HHCBRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1	ZINC000218396847	568479699	/nfs/dbraw/zinc/47/96/99/568479699.db2.gz	YXDPFTVBXTTWJU-KRWDZBQOSA-N	-1	0	415.559	3.785	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl	ZINC000006188759	568936611	/nfs/dbraw/zinc/93/66/11/568936611.db2.gz	RPZICZOCXARUOJ-OQLLNIDSSA-N	-1	0	400.887	3.797	40	10		HHCBRM
COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)[O-]	ZINC000033311301	569027468	/nfs/dbraw/zinc/02/74/68/569027468.db2.gz	VXJUVESIUVBZDN-NTEUORMPSA-N	-1	0	400.818	3.618	40	10		HHCBRM
CCOc1cc(C=C2SC(Nc3ccccc3F)=NC2=O)ccc1OCC(=O)[O-]	ZINC000210462015	569361599	/nfs/dbraw/zinc/36/15/99/569361599.db2.gz	IVSHESAPLHAFMP-YVLHZVERSA-N	-1	0	416.430	3.770	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1	ZINC000208489674	569361618	/nfs/dbraw/zinc/36/16/18/569361618.db2.gz	BHXDECPTQGAPTE-QNGOZBTKSA-N	-1	0	419.481	3.742	40	10		HHCBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)ccc1Br	ZINC000006184283	132309451	/nfs/dbraw/zinc/30/94/51/132309451.db2.gz	LYUWRRSGCAQKJF-XYOKQWHBSA-N	-1	0	405.273	3.794	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3C)C2=O)cc1	ZINC000009260121	132337786	/nfs/dbraw/zinc/33/77/86/132337786.db2.gz	VHMHPECKHDGZAQ-QNGOZBTKSA-N	-1	0	421.497	3.906	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3Cl)C2=O)cc1	ZINC000408535878	557325412	/nfs/dbraw/zinc/32/54/12/557325412.db2.gz	UIRNSBQTWXOSGW-GXDHUFHOSA-N	-1	0	420.252	3.971	40	10		HHCBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408551234	557422953	/nfs/dbraw/zinc/42/29/53/557422953.db2.gz	MQICPTCBQPKUQX-RAXLEYEMSA-N	-1	0	403.866	3.785	40	10		HHCBRM
CCc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408553057	557442427	/nfs/dbraw/zinc/44/24/27/557442427.db2.gz	WLHOZMIKQQOADT-UVTDQMKNSA-N	-1	0	403.866	3.785	40	10		HHCBRM
COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005374086	557648282	/nfs/dbraw/zinc/64/82/82/557648282.db2.gz	OVOJVNQXAMQLKY-SXGWCWSVSA-N	-1	0	413.476	3.886	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000005373664	557648303	/nfs/dbraw/zinc/64/83/03/557648303.db2.gz	QNPLUVKIXIEELT-GFWHJHDHSA-N	-1	0	413.520	3.982	40	10		HHCBRM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1[C@@H]3C=C[C@@H](CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000035898092	557651155	/nfs/dbraw/zinc/65/11/55/557651155.db2.gz	IPWOJINDHICCPA-KNPMLCFXSA-N	-1	0	403.500	3.654	40	10		HHCBRM
CCN(CC)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000005585460	557663432	/nfs/dbraw/zinc/66/34/32/557663432.db2.gz	JCMRGHKRRCUYMY-FNORWQNLSA-N	-1	0	409.240	3.575	40	10		HHCBRM
COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000013626638	558551264	/nfs/dbraw/zinc/55/12/64/558551264.db2.gz	WFUUXMWRPIMXGA-DEDYPNTBSA-N	-1	0	409.442	3.599	40	10		HHCBRM
CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1	ZINC000100799180	558795879	/nfs/dbraw/zinc/79/58/79/558795879.db2.gz	DGHHDANZEPTKRU-VABKMULXSA-N	-1	0	413.477	3.804	40	10		HHCBRM
Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408758205	558994916	/nfs/dbraw/zinc/99/49/16/558994916.db2.gz	WVHKDFJWTXQDCH-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3coc4ccc(Cl)cc4c3=O)C2=O)cc1	ZINC000033539289	559208700	/nfs/dbraw/zinc/20/87/00/559208700.db2.gz	PMSKFILYJOQJIJ-PXNMLYILSA-N	-1	0	424.796	3.962	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1	ZINC000408776205	560639161	/nfs/dbraw/zinc/63/91/61/560639161.db2.gz	VHARBKHJQYMZKL-QGOAFFKASA-N	-1	0	403.413	3.900	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccnc1	ZINC000408785012	560641364	/nfs/dbraw/zinc/64/13/64/560641364.db2.gz	FHGXZVKEGPROIG-UDWIEESQSA-N	-1	0	416.506	3.629	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OC	ZINC000408801137	560642453	/nfs/dbraw/zinc/64/24/53/560642453.db2.gz	UDHVHHGPRMCQSR-GXDHUFHOSA-N	-1	0	414.845	3.722	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C	ZINC000408810235	560643883	/nfs/dbraw/zinc/64/38/83/560643883.db2.gz	LULYWCSCPWBDRF-CXUHLZMHSA-N	-1	0	414.845	3.802	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000408818104	560644760	/nfs/dbraw/zinc/64/47/60/560644760.db2.gz	XWLZSHYEEMKJSR-LFIBNONCSA-N	-1	0	400.887	3.878	40	10		HHCBRM
COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2c1	ZINC000408852454	560646845	/nfs/dbraw/zinc/64/68/45/560646845.db2.gz	LAERZEBMXZWUPU-XDHOZWIPSA-N	-1	0	420.396	3.663	40	10		HHCBRM
CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408865390	560648315	/nfs/dbraw/zinc/64/83/15/560648315.db2.gz	APFAGNCPSHFXRI-WJDWOHSUSA-N	-1	0	400.887	3.959	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000408879244	560649236	/nfs/dbraw/zinc/64/92/36/560649236.db2.gz	BPGUBZAPICYWJE-GDNBJRDFSA-N	-1	0	400.887	3.959	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1O	ZINC000408897075	560651564	/nfs/dbraw/zinc/65/15/64/560651564.db2.gz	QMNCDNAWMVCZLY-XSFVSMFZSA-N	-1	0	414.417	3.638	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1N1CCCCC1	ZINC000408903700	560652387	/nfs/dbraw/zinc/65/23/87/560652387.db2.gz	WPLQECCFEPWDGX-XMHGGMMESA-N	-1	0	407.445	3.791	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1	ZINC000408948275	560657116	/nfs/dbraw/zinc/65/71/16/560657116.db2.gz	FGAVRODNUJXWJK-XDHOZWIPSA-N	-1	0	412.401	3.749	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1	ZINC000408960498	560657939	/nfs/dbraw/zinc/65/79/39/560657939.db2.gz	MKZATVFJLKDXKD-RCCKNPSSSA-N	-1	0	419.550	3.989	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(F)cc3)C2=O)c1	ZINC000408961178	560658175	/nfs/dbraw/zinc/65/81/75/560658175.db2.gz	LCBKFLQSPLTSQS-DEDYPNTBSA-N	-1	0	403.413	3.900	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C	ZINC000408987531	560661862	/nfs/dbraw/zinc/66/18/62/560661862.db2.gz	FOZRJRWFHOTFDJ-LDADJPATSA-N	-1	0	424.522	3.951	40	10		HHCBRM
O=C([O-])Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21	ZINC000409133994	560682031	/nfs/dbraw/zinc/68/20/31/560682031.db2.gz	VFOWOUULNZLZEP-IUXPMGMMSA-N	-1	0	409.492	3.522	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1OCC	ZINC000409208415	560691847	/nfs/dbraw/zinc/69/18/47/560691847.db2.gz	BOQHYJWDDPXVOD-QGOAFFKASA-N	-1	0	408.454	3.849	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000409201823	560693174	/nfs/dbraw/zinc/69/31/74/560693174.db2.gz	OCGIOKCVHIQVSH-NTUHNPAUSA-N	-1	0	406.181	3.568	40	10		HHCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2)C1=O	ZINC000409212621	560695758	/nfs/dbraw/zinc/69/57/58/560695758.db2.gz	RMHFFMHNNZWWCT-LDADJPATSA-N	-1	0	409.873	3.915	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1	ZINC000409236245	560699113	/nfs/dbraw/zinc/69/91/13/560699113.db2.gz	FMVMXTRESNDELG-CPNJWEJPSA-N	-1	0	416.506	3.629	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c1OC(C)C	ZINC000409232848	560700702	/nfs/dbraw/zinc/70/07/02/560700702.db2.gz	BVGCPPVXMNAIFD-SFQUDFHCSA-N	-1	0	424.522	3.931	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1	ZINC000409247166	560701590	/nfs/dbraw/zinc/70/15/90/560701590.db2.gz	CGWGXFRKKLJBKE-LBAFEDMOSA-N	-1	0	405.523	3.757	40	10		HHCBRM
Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2)cc1	ZINC000409372493	560716899	/nfs/dbraw/zinc/71/68/99/560716899.db2.gz	LHQKAJCTPLUKBJ-FYJGNVAPSA-N	-1	0	416.433	3.829	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000409394187	560719612	/nfs/dbraw/zinc/71/96/12/560719612.db2.gz	WXAXYFPYYUVRRZ-UNOMPAQXSA-N	-1	0	420.856	3.809	40	10		HHCBRM
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000222742534	568525375	/nfs/dbraw/zinc/52/53/75/568525375.db2.gz	CZLYUQVQOBKOEY-PMACEKPBSA-N	-1	0	406.511	3.790	40	10		HHCBRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1NC(C)=O	ZINC000223788411	568559169	/nfs/dbraw/zinc/55/91/69/568559169.db2.gz	ZGTPOVDPJRNPHT-UHFFFAOYSA-N	-1	0	424.478	3.685	40	10		HHCBRM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000059198178	568702452	/nfs/dbraw/zinc/70/24/52/568702452.db2.gz	BVOAFEBHKXOZMO-XNTDXEJSSA-N	-1	0	401.216	3.964	40	10		HHCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000226088000	569285006	/nfs/dbraw/zinc/28/50/06/569285006.db2.gz	YXICKZPNQIKFFX-JYRVWZFOSA-N	-1	0	407.278	3.833	40	10		HHCBRM
Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000006043984	569359698	/nfs/dbraw/zinc/35/96/98/569359698.db2.gz	LGJUKVQMFWQCGT-SFQUDFHCSA-N	-1	0	409.486	3.566	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000002397579	960470537	/nfs/dbraw/zinc/47/05/37/960470537.db2.gz	CURLGUIQFYSJEN-FYJGNVAPSA-N	-1	0	417.440	3.895	40	10		HHCBRM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000006026610	132308926	/nfs/dbraw/zinc/30/89/26/132308926.db2.gz	MPYBJIRAOVTSPB-HMMYKYKNSA-N	-1	0	421.522	3.517	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000035898124	557651182	/nfs/dbraw/zinc/65/11/82/557651182.db2.gz	KTHFHVLRIZBOIV-YEJOONJESA-N	-1	0	417.527	3.901	40	10		HHCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C1=O	ZINC000005571320	557662673	/nfs/dbraw/zinc/66/26/73/557662673.db2.gz	GHAGOTSDBPELQR-HMMYKYKNSA-N	-1	0	414.465	3.518	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000089455611	558955405	/nfs/dbraw/zinc/95/54/05/558955405.db2.gz	WPXZTSXIYDOBHO-AUWJEWJLSA-N	-1	0	406.416	3.854	40	10		HHCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S	ZINC000102735118	559152333	/nfs/dbraw/zinc/15/23/33/559152333.db2.gz	LPMHWPBUPFMTRI-FDIDWWNZSA-N	-1	0	404.557	3.770	40	10		HHCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005371595	560574311	/nfs/dbraw/zinc/57/43/11/560574311.db2.gz	XEDUOGULQAGPBE-HZAKCSEPSA-N	-1	0	404.307	3.887	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(O)cc1	ZINC000408780581	560641015	/nfs/dbraw/zinc/64/10/15/560641015.db2.gz	FLJBUJZYVKEJLA-KPKJPENVSA-N	-1	0	410.735	3.731	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC	ZINC000408784691	560641372	/nfs/dbraw/zinc/64/13/72/560641372.db2.gz	WJXGXWNHKNRQAM-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408807920	560643602	/nfs/dbraw/zinc/64/36/02/560643602.db2.gz	PESBQGGRBKYFBK-RVDMUPIBSA-N	-1	0	415.243	3.514	40	10		HHCBRM
O=C1[N-]C(=O)C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc32)C(=O)N1	ZINC000408808991	560643755	/nfs/dbraw/zinc/64/37/55/560643755.db2.gz	GPRAQOJMRWEXTN-UHFFFAOYSA-N	-1	0	406.825	3.822	40	10		HHCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000408870532	560648840	/nfs/dbraw/zinc/64/88/40/560648840.db2.gz	WJOWJZFVTWBKLG-VIZOYTHASA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000408893531	560651082	/nfs/dbraw/zinc/65/10/82/560651082.db2.gz	AXUCXWVPTMGLLW-ATVHPVEESA-N	-1	0	414.845	3.804	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	ZINC000408938724	560656429	/nfs/dbraw/zinc/65/64/29/560656429.db2.gz	RFXXOPWMTJMUIG-STZFKDTASA-N	-1	0	414.417	3.638	40	10		HHCBRM
Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000408959810	560657692	/nfs/dbraw/zinc/65/76/92/560657692.db2.gz	GFFKBKOOHYLRFS-XMHGGMMESA-N	-1	0	405.523	3.735	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000408961119	560658052	/nfs/dbraw/zinc/65/80/52/560658052.db2.gz	RDRHIMAHVKWDRC-XSFVSMFZSA-N	-1	0	405.523	3.735	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)c1C	ZINC000409131261	560680449	/nfs/dbraw/zinc/68/04/49/560680449.db2.gz	NXMUJHXEEJXLIZ-XYOKQWHBSA-N	-1	0	421.341	3.959	40	10		HHCBRM
CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)cc1	ZINC000409195709	560690347	/nfs/dbraw/zinc/69/03/47/560690347.db2.gz	RUGLMCIOUCCMLZ-STZFKDTASA-N	-1	0	421.497	3.897	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(Cl)cccc1Cl	ZINC000409215107	560696788	/nfs/dbraw/zinc/69/67/88/560696788.db2.gz	ZVUSVRZIJHJEHU-XYOKQWHBSA-N	-1	0	406.181	3.568	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c3ccccc23)C1=O	ZINC000409225021	560698082	/nfs/dbraw/zinc/69/80/82/560698082.db2.gz	JJKZNTQOMCPKDR-NBVRZTHBSA-N	-1	0	416.433	3.914	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)[N-]C1=S	ZINC000409239738	560699775	/nfs/dbraw/zinc/69/97/75/560699775.db2.gz	DSONWSOSISHCSO-DHZHZOJOSA-N	-1	0	407.314	3.650	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC	ZINC000409235445	560700981	/nfs/dbraw/zinc/70/09/81/560700981.db2.gz	QASVIDSDHUIDGO-GZTJUZNOSA-N	-1	0	410.495	3.659	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)C1=O	ZINC000409243897	560702828	/nfs/dbraw/zinc/70/28/28/560702828.db2.gz	YSUPTKGHWXYBRY-FOWTUZBSSA-N	-1	0	424.453	3.548	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OC)C(=O)[N-]C2=S)cc1	ZINC000409375426	560716149	/nfs/dbraw/zinc/71/61/49/560716149.db2.gz	KNZSAEJWZYTJKW-LFIBNONCSA-N	-1	0	400.887	3.742	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000013371864	560806059	/nfs/dbraw/zinc/80/60/59/560806059.db2.gz	YCUCBQRCBWEOOW-DEDYPNTBSA-N	-1	0	403.413	3.900	40	10		HHCBRM
CCCCCCN1c2ccccc2/C(=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)C1=O	ZINC000026510004	560891025	/nfs/dbraw/zinc/89/10/25/560891025.db2.gz	SMPXSDQEEBMCBW-KXEGMRRWSA-N	-1	0	418.540	3.658	40	10		HHCBRM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)c(Cl)cc21	ZINC000223350133	568546048	/nfs/dbraw/zinc/54/60/48/568546048.db2.gz	FDONYSVZPNIIKW-UHFFFAOYSA-N	-1	0	421.887	3.709	40	10		HHCBRM
CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)C(C)C	ZINC000225245877	568625586	/nfs/dbraw/zinc/62/55/86/568625586.db2.gz	LDPABGACHVJGRK-UHFFFAOYSA-N	-1	0	408.501	3.533	40	10		HHCBRM
CCOc1cccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000059678876	568709800	/nfs/dbraw/zinc/70/98/00/568709800.db2.gz	XSFSCQKEILSAEU-UYRXBGFRSA-N	-1	0	419.506	3.717	40	10		HHCBRM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S	ZINC000256055704	568774983	/nfs/dbraw/zinc/77/49/83/568774983.db2.gz	QDUCFMZGSXODIA-WISAJEAXSA-N	-1	0	421.503	3.527	40	10		HHCBRM
O=[N+]([O-])c1cc(Br)cc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)c1[O-]	ZINC000003060172	568852171	/nfs/dbraw/zinc/85/21/71/568852171.db2.gz	RVKSESRJSNXOML-AWEZNQCLSA-N	-1	0	414.219	3.710	40	10		HHCBRM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S	ZINC000054361101	569072366	/nfs/dbraw/zinc/07/23/66/569072366.db2.gz	YZESAYPDGUCDEM-VGHYSAKQSA-N	-1	0	421.565	3.801	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(F)c(N3CCCC3)cc2C)C1=O	ZINC000006026920	569359758	/nfs/dbraw/zinc/35/97/58/569359758.db2.gz	WEWXZVSWRWWRJP-QGOAFFKASA-N	-1	0	421.472	3.963	40	10		HHCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C	ZINC000006563388	569360098	/nfs/dbraw/zinc/36/00/98/569360098.db2.gz	SIEYNHNLICOJOO-LFIBNONCSA-N	-1	0	400.862	3.987	40	10		HHCBRM
Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1/N=N/c1ccccc1[N+](=O)[O-]	ZINC000017146632	571305817	/nfs/dbraw/zinc/30/58/17/571305817.db2.gz	JJVRPICUGFLOHL-VHEBQXMUSA-N	-1	0	404.433	3.850	40	10		HHCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1C	ZINC000408552809	557441926	/nfs/dbraw/zinc/44/19/26/557441926.db2.gz	VPMHDYVWQLYCNW-ZROIWOOFSA-N	-1	0	403.866	3.840	40	10		HHCBRM
CCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408553056	557442486	/nfs/dbraw/zinc/44/24/86/557442486.db2.gz	WKZOJYYKWIBXSF-BENRWUELSA-N	-1	0	419.865	3.622	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1C[C@@H](C)CC2	ZINC000004513281	557562245	/nfs/dbraw/zinc/56/22/45/557562245.db2.gz	HCYWBISQVXIIPQ-ZWRJDUBHSA-N	-1	0	417.527	3.901	40	10		HHCBRM
CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373370	557648294	/nfs/dbraw/zinc/64/82/94/557648294.db2.gz	TVRFIKDRCUJQPJ-SXGWCWSVSA-N	-1	0	400.481	3.562	40	10		HHCBRM
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000013841727	558597194	/nfs/dbraw/zinc/59/71/94/558597194.db2.gz	YJHDOJNSKXWQFT-MHWRWJLKSA-N	-1	0	401.465	3.808	40	10		HHCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12	ZINC000015013002	558701060	/nfs/dbraw/zinc/70/10/60/558701060.db2.gz	ZJXRYRZDZDDANS-PDGQHHTCSA-N	-1	0	406.438	3.819	40	10		HHCBRM
CC[C@@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[n-]c1=O	ZINC000064220072	558962441	/nfs/dbraw/zinc/96/24/41/558962441.db2.gz	YJDVJBBIKKKAST-QGZVFWFLSA-N	-1	0	407.518	3.545	40	10		HHCBRM
CCn1c(=O)c(C2=NNC(=O)C2=Cc2ccc3ccccc3c2)c([O-])c2ccccc21	ZINC000103506863	559156027	/nfs/dbraw/zinc/15/60/27/559156027.db2.gz	GFCQIQKSCJFRQM-RGEXLXHISA-N	-1	0	409.445	3.798	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)C	ZINC000408777194	560640043	/nfs/dbraw/zinc/64/00/43/560640043.db2.gz	WPOADUSCHQVUBY-WOJGMQOQSA-N	-1	0	408.454	3.766	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OCC)c1	ZINC000408778168	560640706	/nfs/dbraw/zinc/64/07/06/560640706.db2.gz	PXDAGXSDOWKRNL-XDHOZWIPSA-N	-1	0	408.454	3.767	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000408796952	560642024	/nfs/dbraw/zinc/64/20/24/560642024.db2.gz	FFOOWLCBMWMMPR-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl	ZINC000408815583	560644320	/nfs/dbraw/zinc/64/43/20/560644320.db2.gz	XFNJZJSZFULFNS-LFIBNONCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(C)C	ZINC000408866915	560648449	/nfs/dbraw/zinc/64/84/49/560648449.db2.gz	JCRDPJZAZUWPFI-PTNGSMBKSA-N	-1	0	412.417	3.678	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1	ZINC000408894172	560650486	/nfs/dbraw/zinc/65/04/86/560650486.db2.gz	BLTJNHBMCKGODU-AQTBWJFISA-N	-1	0	424.453	3.636	40	10		HHCBRM
Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000408892178	560650995	/nfs/dbraw/zinc/65/09/95/560650995.db2.gz	BQFYFEACSLFLGO-UHFFFAOYSA-N	-1	0	400.434	3.785	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)o3)C2=O)c1	ZINC000408901343	560651328	/nfs/dbraw/zinc/65/13/28/560651328.db2.gz	XIMKNQBSYZYNIA-XMHGGMMESA-N	-1	0	407.470	3.943	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000408898996	560651696	/nfs/dbraw/zinc/65/16/96/560651696.db2.gz	NUGCDZUFHNCSAG-RCCKNPSSSA-N	-1	0	414.465	3.518	40	10		HHCBRM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)[N-]C1=S	ZINC000409165893	560686182	/nfs/dbraw/zinc/68/61/82/560686182.db2.gz	ABHHLAWZPLBVCI-FOWTUZBSSA-N	-1	0	422.437	3.926	40	10		HHCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000409221009	560698719	/nfs/dbraw/zinc/69/87/19/560698719.db2.gz	JFGGFWLFJZBJNR-QGOAFFKASA-N	-1	0	409.511	3.835	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O	ZINC000409247834	560701755	/nfs/dbraw/zinc/70/17/55/560701755.db2.gz	OFUNQZVQIAIENN-FMIVXFBMSA-N	-1	0	407.278	3.833	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC	ZINC000409249000	560701968	/nfs/dbraw/zinc/70/19/68/560701968.db2.gz	IVAIOYRFAMWSQL-SFQUDFHCSA-N	-1	0	424.522	3.932	40	10		HHCBRM
CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409352746	560714123	/nfs/dbraw/zinc/71/41/23/560714123.db2.gz	YMCGLRWSWJHWCO-KPKJPENVSA-N	-1	0	416.318	3.524	40	10		HHCBRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000218397041	568479788	/nfs/dbraw/zinc/47/97/88/568479788.db2.gz	UOYHPQFKRNPNQR-SJORKVTESA-N	-1	0	415.559	3.785	40	10		HHCBRM
CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000225773928	568673332	/nfs/dbraw/zinc/67/33/32/568673332.db2.gz	FPUNATGJXAZBLG-ZWRJDUBHSA-N	-1	0	417.527	3.901	40	10		HHCBRM
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Cl)c1[O-]	ZINC000058865564	568699188	/nfs/dbraw/zinc/69/91/88/568699188.db2.gz	MHFLEQNRTOALLX-UHFFFAOYSA-N	-1	0	401.640	3.952	40	10		HHCBRM
COc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000059138117	568701423	/nfs/dbraw/zinc/70/14/23/568701423.db2.gz	OZEUNMQFTYEQKQ-GHRIWEEISA-N	-1	0	411.483	3.950	40	10		HHCBRM
CCc1ccccc1N1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000059678453	568709921	/nfs/dbraw/zinc/70/99/21/568709921.db2.gz	CNRKBTKOLJQMEF-AQTBWJFISA-N	-1	0	403.507	3.880	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc(F)c1	ZINC000008237075	569359989	/nfs/dbraw/zinc/35/99/89/569359989.db2.gz	HSQMUJPWMYEHRY-XSFVSMFZSA-N	-1	0	418.424	3.875	40	10		HHCBRM
CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033655059	569360392	/nfs/dbraw/zinc/36/03/92/569360392.db2.gz	JZWJCOWQGFDPGC-WJDWOHSUSA-N	-1	0	401.260	3.698	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033914319	569360615	/nfs/dbraw/zinc/36/06/15/569360615.db2.gz	WGPXLMVFQWAAHT-MFVBVHDHSA-N	-1	0	400.862	3.987	40	10		HHCBRM
Cc1ccc(NN=C2C=CC(=O)C(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])=C2)cc1C	ZINC000106106731	569360942	/nfs/dbraw/zinc/36/09/42/569360942.db2.gz	VDZPQHXKGAUXCC-PUCKDFHESA-N	-1	0	407.386	3.880	40	10		HHCBRM
COc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000107758159	569361079	/nfs/dbraw/zinc/36/10/79/569361079.db2.gz	XBCZADJTBOJRCU-JYRVWZFOSA-N	-1	0	407.651	3.573	40	10		HHCBRM
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)c1	ZINC000108926947	569361340	/nfs/dbraw/zinc/36/13/40/569361340.db2.gz	OBTAMTZQWBQTPB-ATVHPVEESA-N	-1	0	422.824	3.848	40	10		HHCBRM
CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Br)cc3C(=O)[O-])o2)C(=O)O1	ZINC000012402486	569400852	/nfs/dbraw/zinc/40/08/52/569400852.db2.gz	ONLQCEVBBIRLBO-UHFFFAOYSA-N	-1	0	421.199	3.627	40	10		HHCBRM
O=C([O-])c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1	ZINC000001839020	960466468	/nfs/dbraw/zinc/46/64/68/960466468.db2.gz	YDHHUSLIYMMEAV-PTNGSMBKSA-N	-1	0	416.480	3.598	40	10		HHCBRM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000002282240	132251390	/nfs/dbraw/zinc/25/13/90/132251390.db2.gz	GDQZVWPTOPKPIF-CXUHLZMHSA-N	-1	0	410.426	3.836	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1	ZINC000032138975	520879248	/nfs/dbraw/zinc/87/92/48/520879248.db2.gz	IUURHHZNXXUCKM-BOPFTXTBSA-N	-1	0	413.861	3.558	40	10		HHCBRM
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000032099478	521924771	/nfs/dbraw/zinc/92/47/71/521924771.db2.gz	QPSVTHYGMACVFP-PDGQHHTCSA-N	-1	0	422.824	3.848	40	10		HHCBRM
Cc1cc(C)cc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000408550493	557429026	/nfs/dbraw/zinc/42/90/26/557429026.db2.gz	HIYMRBVTQIUQKX-ZROIWOOFSA-N	-1	0	403.866	3.840	40	10		HHCBRM
CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@@H]3C=C[C@@H](CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000035898095	557651124	/nfs/dbraw/zinc/65/11/24/557651124.db2.gz	GRMRNUJFJXZTGH-KOZAUXTDSA-N	-1	0	403.500	3.655	40	10		HHCBRM
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC	ZINC000016693365	558800491	/nfs/dbraw/zinc/80/04/91/558800491.db2.gz	NZXNQYIEJAEOGP-CXUHLZMHSA-N	-1	0	401.465	3.808	40	10		HHCBRM
CCOc1ccc(N=Nc2c(C)[n-]n(C(=O)CC(=O)Nc3ccc(C)cc3)c2=O)cc1	ZINC000102971742	559153895	/nfs/dbraw/zinc/15/38/95/559153895.db2.gz	SPNIVWLVNYTIJT-PWKIUMOWSA-N	-1	0	421.457	3.620	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)cc1	ZINC000408797992	560642021	/nfs/dbraw/zinc/64/20/21/560642021.db2.gz	HOFFCTZOHPHNNP-GZTJUZNOSA-N	-1	0	414.845	3.802	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl	ZINC000408806694	560642684	/nfs/dbraw/zinc/64/26/84/560642684.db2.gz	BFQBCOZZIRDJLK-NTUHNPAUSA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(OC)cc2)C1=O	ZINC000408807199	560642755	/nfs/dbraw/zinc/64/27/55/560642755.db2.gz	CIQBRTLOBHASSA-LFIBNONCSA-N	-1	0	416.886	3.579	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	ZINC000408878228	560649660	/nfs/dbraw/zinc/64/96/60/560649660.db2.gz	YNFYIJSHQVRLJT-UHFFFAOYSA-N	-1	0	412.873	3.696	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1	ZINC000408901175	560651347	/nfs/dbraw/zinc/65/13/47/560651347.db2.gz	WQCQWZDJYVOOFQ-WJDWOHSUSA-N	-1	0	414.845	3.891	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1	ZINC000408898790	560651739	/nfs/dbraw/zinc/65/17/39/560651739.db2.gz	MRGFGHXKFIFBNH-RGEXLXHISA-N	-1	0	408.454	3.929	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)o1	ZINC000408989943	560662086	/nfs/dbraw/zinc/66/20/86/560662086.db2.gz	JLRVLFKGIMKPGM-NTCAYCPXSA-N	-1	0	407.476	3.657	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1	ZINC000409095323	560674765	/nfs/dbraw/zinc/67/47/65/560674765.db2.gz	AUOVWTSQSNHGCE-MHWRWJLKSA-N	-1	0	413.836	3.746	40	10		HHCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc2ncccc2c1	ZINC000409123758	560679408	/nfs/dbraw/zinc/67/94/08/560679408.db2.gz	DQCDZXCVFJTIRK-VCHYOVAHSA-N	-1	0	407.451	3.763	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1	ZINC000409236538	560699102	/nfs/dbraw/zinc/69/91/02/560699102.db2.gz	RUZGCMOCIGYAPL-XMHGGMMESA-N	-1	0	401.491	3.925	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1OC	ZINC000409239721	560699767	/nfs/dbraw/zinc/69/97/67/560699767.db2.gz	DLOMAIOUMLJRFW-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)c1	ZINC000409240619	560700060	/nfs/dbraw/zinc/70/00/60/560700060.db2.gz	HERMYCVOKXBMDD-XYOKQWHBSA-N	-1	0	421.341	3.959	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)[N-]C1=S	ZINC000409234393	560700921	/nfs/dbraw/zinc/70/09/21/560700921.db2.gz	WHXRDVANZDYPSI-DTQAZKPQSA-N	-1	0	405.454	3.756	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000409234283	560700940	/nfs/dbraw/zinc/70/09/40/560700940.db2.gz	KCNHYBOXBZFMGO-JLHYYAGUSA-N	-1	0	416.886	3.579	40	10		HHCBRM
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409341268	560711457	/nfs/dbraw/zinc/71/14/57/560711457.db2.gz	AOEUEJHPNOWNKW-FYJGNVAPSA-N	-1	0	415.449	3.885	40	10		HHCBRM
O=C([N-]N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1cccs1	ZINC000409344835	560712198	/nfs/dbraw/zinc/71/21/98/560712198.db2.gz	HNEBSIBBYNUZEN-FOWTUZBSSA-N	-1	0	415.565	3.895	40	10		HHCBRM
CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OC	ZINC000409346932	560713055	/nfs/dbraw/zinc/71/30/55/560713055.db2.gz	OVFQABKAYZCVAZ-XNTDXEJSSA-N	-1	0	420.537	3.702	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1OCC(=O)[O-]	ZINC000409351241	560713794	/nfs/dbraw/zinc/71/37/94/560713794.db2.gz	ZWRZSZUOMJWUPN-YBEGLDIGSA-N	-1	0	415.492	3.873	40	10		HHCBRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1	ZINC000218396764	568479682	/nfs/dbraw/zinc/47/96/82/568479682.db2.gz	YXDPFTVBXTTWJU-QGZVFWFLSA-N	-1	0	415.559	3.785	40	10		HHCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1O	ZINC000024494709	568511560	/nfs/dbraw/zinc/51/15/60/568511560.db2.gz	KZSKQSJPPNNLDB-NTUHNPAUSA-N	-1	0	417.215	3.670	40	10		HHCBRM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3nc(-c4ccc(Cl)cc4)cs3)cc2o1	ZINC000223313542	568544908	/nfs/dbraw/zinc/54/49/08/568544908.db2.gz	YMKMSOBQIDVWRH-UHFFFAOYSA-N	-1	0	407.860	3.699	40	10		HHCBRM
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000225752602	568671217	/nfs/dbraw/zinc/67/12/17/568671217.db2.gz	CJMKMKWRGVGPJV-XRQSXFTLSA-N	-1	0	417.527	3.900	40	10		HHCBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000033286661	568696755	/nfs/dbraw/zinc/69/67/55/568696755.db2.gz	PPBFKXWXYVMANR-VGOFMYFVSA-N	-1	0	417.874	3.543	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)c1	ZINC000059303001	568705033	/nfs/dbraw/zinc/70/50/33/568705033.db2.gz	WKKJOXXOQFMADY-UYRXBGFRSA-N	-1	0	403.438	3.552	40	10		HHCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1	ZINC000101651767	569015212	/nfs/dbraw/zinc/01/52/12/569015212.db2.gz	PVBUHOUQRIJFQH-UNOMPAQXSA-N	-1	0	415.405	3.550	40	10		HHCBRM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361137	569072390	/nfs/dbraw/zinc/07/23/90/569072390.db2.gz	MBEYOHPLTVUSAP-ZFOVBUMHSA-N	-1	0	407.476	3.657	40	10		HHCBRM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361135	569072393	/nfs/dbraw/zinc/07/23/93/569072393.db2.gz	MSWWHXLVKDCHBE-ZCWPUFOUSA-N	-1	0	421.503	3.527	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C4CCCC4)c3C)C2=O)cc1	ZINC000002399014	132254128	/nfs/dbraw/zinc/25/41/28/132254128.db2.gz	RUNIQBBELLTDFX-MOSHPQCFSA-N	-1	0	407.470	3.895	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(Br)c1	ZINC000408534476	557321330	/nfs/dbraw/zinc/32/13/30/557321330.db2.gz	QYDICUDCMSLZHN-FMIVXFBMSA-N	-1	0	420.650	3.681	40	10		HHCBRM
COc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000012273944	558363392	/nfs/dbraw/zinc/36/33/92/558363392.db2.gz	SSEAKYXSIGCQON-APSNUPSMSA-N	-1	0	417.464	3.513	40	10		HHCBRM
COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016226480	558779484	/nfs/dbraw/zinc/77/94/84/558779484.db2.gz	VRTKTTDTYMFBPB-ZROIWOOFSA-N	-1	0	401.762	3.764	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000408775308	560639445	/nfs/dbraw/zinc/63/94/45/560639445.db2.gz	GKAMGCNOIXKMDV-LFIBNONCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c(OC(C)C)c1	ZINC000408795461	560641959	/nfs/dbraw/zinc/64/19/59/560641959.db2.gz	CEJXVZLNOZHFIF-WOJGMQOQSA-N	-1	0	408.454	3.766	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c(OC(C)C)c1	ZINC000408803668	560642959	/nfs/dbraw/zinc/64/29/59/560642959.db2.gz	RUCXQXMATQTBGT-XNTDXEJSSA-N	-1	0	414.845	3.802	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC	ZINC000408810532	560643992	/nfs/dbraw/zinc/64/39/92/560643992.db2.gz	TWMJPKAHSDZWSU-AWNIVKPZSA-N	-1	0	421.236	3.677	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408817057	560644505	/nfs/dbraw/zinc/64/45/05/560644505.db2.gz	SUSYKDPKSITJQW-UKTHLTGXSA-N	-1	0	405.237	3.977	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)c1	ZINC000408857293	560647406	/nfs/dbraw/zinc/64/74/06/560647406.db2.gz	NMOBMQIYBZNDCJ-ZHZULCJRSA-N	-1	0	403.482	3.878	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)o3)C2=O)cc1C	ZINC000408855105	560647758	/nfs/dbraw/zinc/64/77/58/560647758.db2.gz	BZOHCWCJNJNJOL-XMHGGMMESA-N	-1	0	407.470	3.943	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)c(C)c3)C2=O)cc1	ZINC000408894266	560650531	/nfs/dbraw/zinc/65/05/31/560650531.db2.gz	BXNMQRKZJRQMEZ-HMMYKYKNSA-N	-1	0	403.482	3.960	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCCC1	ZINC000408900798	560651202	/nfs/dbraw/zinc/65/12/02/560651202.db2.gz	VDLHKNHNERMSES-QGOAFFKASA-N	-1	0	409.873	3.915	40	10		HHCBRM
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C	ZINC000408967596	560659444	/nfs/dbraw/zinc/65/94/44/560659444.db2.gz	VZXZDICOXIXWFQ-CPNJWEJPSA-N	-1	0	403.413	3.900	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c1OC(C)C	ZINC000409010122	560665243	/nfs/dbraw/zinc/66/52/43/560665243.db2.gz	DMJWEVRRJWHLAB-LDADJPATSA-N	-1	0	424.522	3.931	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC(C)C)C2=O)cc1	ZINC000409011977	560665634	/nfs/dbraw/zinc/66/56/34/560665634.db2.gz	IHCURWCFNMAHIC-QGOAFFKASA-N	-1	0	408.454	3.711	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC(C)C)C2=O)c1	ZINC000409018772	560666549	/nfs/dbraw/zinc/66/65/49/560666549.db2.gz	ZEDZRUPPZUTEED-LDADJPATSA-N	-1	0	424.453	3.548	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)cc1	ZINC000409024502	560667845	/nfs/dbraw/zinc/66/78/45/560667845.db2.gz	ZGIMHMRHDOSXKP-XSFVSMFZSA-N	-1	0	417.490	3.577	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C	ZINC000409098844	560676395	/nfs/dbraw/zinc/67/63/95/560676395.db2.gz	MIGGLTIGDSNUCT-FMIVXFBMSA-N	-1	0	405.237	3.977	40	10		HHCBRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409100246	560676944	/nfs/dbraw/zinc/67/69/44/560676944.db2.gz	VRBKHQYRVAGPMR-LKBVRNOZSA-N	-1	0	415.423	3.551	40	10		HHCBRM
COCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000409129859	560681608	/nfs/dbraw/zinc/68/16/08/560681608.db2.gz	VDTRTDUHIWKSAP-DHDCSXOGSA-N	-1	0	407.831	3.981	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)CC)cc2)C1=O	ZINC000409220975	560698777	/nfs/dbraw/zinc/69/87/77/560698777.db2.gz	ISTUZEBEQOWMGT-JZBMNUFDSA-N	-1	0	408.454	3.929	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409238673	560699529	/nfs/dbraw/zinc/69/95/29/560699529.db2.gz	LMJMQIHNEFACQZ-MHWRWJLKSA-N	-1	0	420.412	3.935	40	10		HHCBRM
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1	ZINC000409239289	560699687	/nfs/dbraw/zinc/69/96/87/560699687.db2.gz	PEIMSULDCASWKY-XMHGGMMESA-N	-1	0	401.491	3.925	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OC)ccc3ccccc32)C1=O	ZINC000409231533	560700395	/nfs/dbraw/zinc/70/03/95/560700395.db2.gz	LAYLJNLPUPVZSE-JXAWBTAJSA-N	-1	0	416.433	3.914	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc(C)c2)C1=O	ZINC000409233656	560700817	/nfs/dbraw/zinc/70/08/17/560700817.db2.gz	HBIGSRFPYNDUCU-XDJHFCHBSA-N	-1	0	415.449	3.851	40	10		HHCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C	ZINC000409241339	560702349	/nfs/dbraw/zinc/70/23/49/560702349.db2.gz	RIRCPQXSHQWLKM-CXUHLZMHSA-N	-1	0	421.444	3.975	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2OCC)C1=O	ZINC000409243604	560702856	/nfs/dbraw/zinc/70/28/56/560702856.db2.gz	TZLQZNHMOQKRIQ-QINSGFPZSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000169619760	560765006	/nfs/dbraw/zinc/76/50/06/560765006.db2.gz	XXEHSBZPOHEQAK-SEQRPAEDSA-N	-1	0	403.500	3.511	40	10		HHCBRM
CCOC(=O)c1ccc(N=C(C)c2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000112287877	560778003	/nfs/dbraw/zinc/77/80/03/560778003.db2.gz	BHSNFJYHBARZJT-UYRXBGFRSA-N	-1	0	408.414	3.880	40	10		HHCBRM
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004124229	560892985	/nfs/dbraw/zinc/89/29/85/560892985.db2.gz	PLOPPQXIMUZDQH-KNPMLCFXSA-N	-1	0	403.500	3.655	40	10		HHCBRM
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)[O-])cc1	ZINC000005946187	568454312	/nfs/dbraw/zinc/45/43/12/568454312.db2.gz	MQOLMLLXZIVPEV-HMMYKYKNSA-N	-1	0	404.447	3.768	40	10		HHCBRM
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000222742743	568525373	/nfs/dbraw/zinc/52/53/73/568525373.db2.gz	UJVADDUXFPNPMR-VQTJNVASSA-N	-1	0	406.511	3.790	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1	ZINC000059859753	568709364	/nfs/dbraw/zinc/70/93/64/568709364.db2.gz	OEIYOYLPLBTQJY-LDADJPATSA-N	-1	0	411.845	3.683	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000210800456	569007662	/nfs/dbraw/zinc/00/76/62/569007662.db2.gz	ROKASFPBXCLVPR-QGOAFFKASA-N	-1	0	407.882	3.962	40	10		HHCBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000016936656	569267685	/nfs/dbraw/zinc/26/76/85/569267685.db2.gz	ZIDCKZJEIMEKGX-HQQGHWSLSA-N	-1	0	400.319	3.904	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)[N-]C2=S)cc1	ZINC000006351038	569359859	/nfs/dbraw/zinc/35/98/59/569359859.db2.gz	ULPKBJFQCGULFL-HMMYKYKNSA-N	-1	0	407.539	3.927	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033716852	569360400	/nfs/dbraw/zinc/36/04/00/569360400.db2.gz	OACMYJYNRMSUBW-JYRVWZFOSA-N	-1	0	421.678	3.963	40	10		HHCBRM
CCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408530539	557298797	/nfs/dbraw/zinc/29/87/97/557298797.db2.gz	JQRIRXWNMVDUTC-ATVHPVEESA-N	-1	0	414.845	3.891	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccccc1Br	ZINC000408536589	557341610	/nfs/dbraw/zinc/34/16/10/557341610.db2.gz	WTMRNSQFQNDFOL-MDZDMXLPSA-N	-1	0	420.650	3.681	40	10		HHCBRM
O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000006733363	557718249	/nfs/dbraw/zinc/71/82/49/557718249.db2.gz	GVKSHCBASMBUPR-UHFFFAOYSA-N	-1	0	420.490	3.845	40	10		HHCBRM
CN1c2ccccc2C(C)(C)/C1=C/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000007166557	557736490	/nfs/dbraw/zinc/73/64/90/557736490.db2.gz	WJCKMMKGWDUHOL-AXOLISODSA-N	-1	0	402.541	3.907	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000013546858	558538058	/nfs/dbraw/zinc/53/80/58/558538058.db2.gz	JUUTZWNPLVBEQM-NDENLUEZSA-N	-1	0	403.413	3.900	40	10		HHCBRM
Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408757893	558788190	/nfs/dbraw/zinc/78/81/90/558788190.db2.gz	RSPOLSKOQSVPRH-BKUYFWCQSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000408769328	560638912	/nfs/dbraw/zinc/63/89/12/560638912.db2.gz	RDDQZNXCXUGUGC-FYJGNVAPSA-N	-1	0	415.449	3.775	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C	ZINC000408786395	560641714	/nfs/dbraw/zinc/64/17/14/560641714.db2.gz	JGCXBVZXJPPHAD-NTUHNPAUSA-N	-1	0	408.310	3.780	40	10		HHCBRM
Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000408800747	560642260	/nfs/dbraw/zinc/64/22/60/560642260.db2.gz	PCWUHULCNHCYPT-UHFFFAOYSA-N	-1	0	400.434	3.785	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)C	ZINC000408807715	560643433	/nfs/dbraw/zinc/64/34/33/560643433.db2.gz	OLXJPXMMUYCVAM-LDADJPATSA-N	-1	0	424.453	3.548	40	10		HHCBRM
CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1	ZINC000408857423	560647446	/nfs/dbraw/zinc/64/74/46/560647446.db2.gz	OAOUNTBVQBBCNK-HMMYKYKNSA-N	-1	0	417.490	3.707	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	ZINC000408853798	560647649	/nfs/dbraw/zinc/64/76/49/560647649.db2.gz	SHILPFOQYNBRHI-CSKARUKUSA-N	-1	0	422.249	3.733	40	10		HHCBRM
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000408895201	560650650	/nfs/dbraw/zinc/65/06/50/560650650.db2.gz	CXNOTNMONYCZGD-NTUHNPAUSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)[N-]C1=S	ZINC000408962601	560658561	/nfs/dbraw/zinc/65/85/61/560658561.db2.gz	ZPRRVTAEIMZGBD-XDJHFCHBSA-N	-1	0	405.523	3.681	40	10		HHCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1C	ZINC000408965781	560659109	/nfs/dbraw/zinc/65/91/09/560659109.db2.gz	LXLIUZZCILAABN-DEDYPNTBSA-N	-1	0	403.413	3.900	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)[N-]C2=S)c1	ZINC000408990375	560662175	/nfs/dbraw/zinc/66/21/75/560662175.db2.gz	KWQOVIZDAHUKFY-FOWTUZBSSA-N	-1	0	421.503	3.966	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1C	ZINC000409093556	560674467	/nfs/dbraw/zinc/67/44/67/560674467.db2.gz	AIOUSJPLWLYNAK-LDADJPATSA-N	-1	0	423.513	3.874	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OCC)c1	ZINC000409239441	560699691	/nfs/dbraw/zinc/69/96/91/560699691.db2.gz	MTMVZYULJKFYPB-SFQUDFHCSA-N	-1	0	410.495	3.624	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1	ZINC000409235162	560700966	/nfs/dbraw/zinc/70/09/66/560700966.db2.gz	YTTVTMTXDVGCRJ-XSFVSMFZSA-N	-1	0	414.465	3.718	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccccc2)C1=O	ZINC000409246677	560701639	/nfs/dbraw/zinc/70/16/39/560701639.db2.gz	AFWQGDXLUNOUQQ-OBGWFSINSA-N	-1	0	401.422	3.542	40	10		HHCBRM
COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000409349082	560713392	/nfs/dbraw/zinc/71/33/92/560713392.db2.gz	ULQDCQQYTMIZEK-OQLLNIDSSA-N	-1	0	418.452	3.723	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(C)c1C	ZINC000409394341	560719696	/nfs/dbraw/zinc/71/96/96/560719696.db2.gz	ZBTXREVEYVWQQM-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C\c1ccccc1Sc1ccccc1	ZINC000409396042	560721161	/nfs/dbraw/zinc/72/11/61/560721161.db2.gz	VQRIUZCNTAHNHD-JXAWBTAJSA-N	-1	0	401.447	3.899	40	10		HHCBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000003068589	560732946	/nfs/dbraw/zinc/73/29/46/560732946.db2.gz	HKOSWRKZHFMOBJ-FOWTUZBSSA-N	-1	0	401.260	3.699	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1	ZINC000015225501	560854135	/nfs/dbraw/zinc/85/41/35/560854135.db2.gz	CAQKGVJDZNEJEX-JLHYYAGUSA-N	-1	0	420.252	3.853	40	10		HHCBRM
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000222742186	568525236	/nfs/dbraw/zinc/52/52/36/568525236.db2.gz	VWUDCVPGEHQRIB-VQTJNVASSA-N	-1	0	406.511	3.790	40	10		HHCBRM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1C(N)=O	ZINC000223282195	568544003	/nfs/dbraw/zinc/54/40/03/568544003.db2.gz	RKOUEWQXMNYHOH-UHFFFAOYSA-N	-1	0	407.904	3.672	40	10		HHCBRM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)cc2o1	ZINC000223331599	568545480	/nfs/dbraw/zinc/54/54/80/568545480.db2.gz	SXVRFJDQTDEDSG-UHFFFAOYSA-N	-1	0	407.860	3.699	40	10		HHCBRM
CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O	ZINC000059138866	568701668	/nfs/dbraw/zinc/70/16/68/568701668.db2.gz	UIQVALLIABKADY-AQTBWJFISA-N	-1	0	416.389	3.653	40	10		HHCBRM
CC(C)C[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000255970625	568774415	/nfs/dbraw/zinc/77/44/15/568774415.db2.gz	DYCBTNVNACPQRN-IBGZPJMESA-N	-1	0	418.519	3.946	40	10		HHCBRM
COc1ccccc1CN(CC(=O)[O-])C(=O)Cc1ccc2c3ccccc3n(C)c2c1	ZINC000257230442	568784861	/nfs/dbraw/zinc/78/48/61/568784861.db2.gz	GCIOUIOMUCIYFD-UHFFFAOYSA-N	-1	0	416.477	3.996	40	10		HHCBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000004077101	568938221	/nfs/dbraw/zinc/93/82/21/568938221.db2.gz	KWIFGGDVXLFVGT-SEVUFMINSA-N	-1	0	400.319	3.760	40	10		HHCBRM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000016927538	569267592	/nfs/dbraw/zinc/26/75/92/569267592.db2.gz	JVHBCVSYFPWMSA-LSPINASFSA-N	-1	0	423.515	3.903	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1	ZINC000034714306	569360559	/nfs/dbraw/zinc/36/05/59/569360559.db2.gz	LYCUQSCFKFVWGI-ZHZULCJRSA-N	-1	0	415.405	3.635	40	10		HHCBRM
CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000108898196	569361181	/nfs/dbraw/zinc/36/11/81/569361181.db2.gz	MJYDHUNFUZBXIR-ZROIWOOFSA-N	-1	0	415.833	3.887	40	10		HHCBRM
COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000205762143	569361369	/nfs/dbraw/zinc/36/13/69/569361369.db2.gz	MGPINXRVEIGTQI-VGOFMYFVSA-N	-1	0	421.814	3.508	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	ZINC000108939808	569361383	/nfs/dbraw/zinc/36/13/83/569361383.db2.gz	LMHQKJXRKAMWFH-UYRXBGFRSA-N	-1	0	415.405	3.635	40	10		HHCBRM
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000027530369	569366134	/nfs/dbraw/zinc/36/61/34/569366134.db2.gz	RGQMJIUVVRZKCN-CXUHLZMHSA-N	-1	0	400.481	3.562	40	10		HHCBRM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)C(=O)[N-]C2=S)c1	ZINC000005654387	132307341	/nfs/dbraw/zinc/30/73/41/132307341.db2.gz	IBLMGUCEHDCLFB-UNOMPAQXSA-N	-1	0	410.495	3.704	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1N1CCCC1	ZINC000032116684	526091793	/nfs/dbraw/zinc/09/17/93/526091793.db2.gz	CVXCJEYXEKRFKN-AQTBWJFISA-N	-1	0	408.527	3.817	40	10		HHCBRM
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000002259555	557332085	/nfs/dbraw/zinc/33/20/85/557332085.db2.gz	FRUCQPCOKPTLDK-MHWRWJLKSA-N	-1	0	401.465	3.808	40	10		HHCBRM
COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1OC	ZINC000002262859	557332382	/nfs/dbraw/zinc/33/23/82/557332382.db2.gz	FWZXAFVNVQVFNB-RBFDBLARSA-N	-1	0	415.492	3.731	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1	ZINC000408547107	557369924	/nfs/dbraw/zinc/36/99/24/557369924.db2.gz	XVCWOZHYLOHGKB-UYRXBGFRSA-N	-1	0	403.394	3.646	40	10		HHCBRM
Cc1cc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F	ZINC000408551974	557440654	/nfs/dbraw/zinc/44/06/54/557440654.db2.gz	QGVMFROANUPYAU-WQLSENKSSA-N	-1	0	407.829	3.670	40	10		HHCBRM
COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004425605	557554213	/nfs/dbraw/zinc/55/42/13/557554213.db2.gz	UJPLFXGXUVKMGC-QZFKAFNDSA-N	-1	0	413.476	3.500	40	10		HHCBRM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@@H]3C=C[C@@H](CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000035898091	557651145	/nfs/dbraw/zinc/65/11/45/557651145.db2.gz	IPWOJINDHICCPA-KOZAUXTDSA-N	-1	0	403.500	3.654	40	10		HHCBRM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000035898111	557651168	/nfs/dbraw/zinc/65/11/68/557651168.db2.gz	ZJKRRHWEUHXNHV-KOZAUXTDSA-N	-1	0	403.500	3.655	40	10		HHCBRM
Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408755790	557817501	/nfs/dbraw/zinc/81/75/01/557817501.db2.gz	FQJZKCANVMMPGO-MOSHPQCFSA-N	-1	0	414.465	3.772	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009188480	557825809	/nfs/dbraw/zinc/82/58/09/557825809.db2.gz	ODXDFXCXJHGKCM-YVLHZVERSA-N	-1	0	415.492	3.873	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)[O-]	ZINC000013547848	558538341	/nfs/dbraw/zinc/53/83/41/558538341.db2.gz	ZAKWLPQFTSXUNU-YBEGLDIGSA-N	-1	0	407.513	3.693	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(Br)cc1	ZINC000016400288	558789724	/nfs/dbraw/zinc/78/97/24/558789724.db2.gz	ZVDOSDQSUUIJOP-ZROIWOOFSA-N	-1	0	416.187	3.864	40	10		HHCBRM
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1O	ZINC000016683881	558799658	/nfs/dbraw/zinc/79/96/58/558799658.db2.gz	RCFPWOQJYCPTBJ-MHWRWJLKSA-N	-1	0	401.465	3.895	40	10		HHCBRM
CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000408801358	560642490	/nfs/dbraw/zinc/64/24/90/560642490.db2.gz	AEPSIYCTIJRUOB-XNTDXEJSSA-N	-1	0	414.845	3.804	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(OC(C)C)c1	ZINC000408802170	560642703	/nfs/dbraw/zinc/64/27/03/560642703.db2.gz	XJSOGFKFLAXFDS-RQZCQDPDSA-N	-1	0	414.845	3.802	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408809950	560643819	/nfs/dbraw/zinc/64/38/19/560643819.db2.gz	HUYAPESLBPDLLU-RVDMUPIBSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)o1	ZINC000408810876	560643980	/nfs/dbraw/zinc/64/39/80/560643980.db2.gz	LLAISCLENCTRDO-RVDMUPIBSA-N	-1	0	403.891	3.611	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OC(C)C	ZINC000408819179	560644995	/nfs/dbraw/zinc/64/49/95/560644995.db2.gz	YLCWHJOSHNGWOD-GZTJUZNOSA-N	-1	0	408.454	3.766	40	10		HHCBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)c1	ZINC000408849331	560647035	/nfs/dbraw/zinc/64/70/35/560647035.db2.gz	WDACGBLVVZVISD-BUJDNCMTSA-N	-1	0	406.438	3.707	40	10		HHCBRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C1=O	ZINC000408857791	560647399	/nfs/dbraw/zinc/64/73/99/560647399.db2.gz	PYHIHSHNMPUKOW-QGOAFFKASA-N	-1	0	416.389	3.653	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408865453	560648327	/nfs/dbraw/zinc/64/83/27/560648327.db2.gz	CLFPNZQEFBPELV-RAXLEYEMSA-N	-1	0	402.809	3.934	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000408866999	560648512	/nfs/dbraw/zinc/64/85/12/560648512.db2.gz	ISUVTOWCRBHIBL-RIYZIHGNSA-N	-1	0	405.635	3.769	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OCC)C2=O)cc1	ZINC000408898360	560651713	/nfs/dbraw/zinc/65/17/13/560651713.db2.gz	LRBBXXJNPOVSKA-UYRXBGFRSA-N	-1	0	424.453	3.549	40	10		HHCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000408904324	560651736	/nfs/dbraw/zinc/65/17/36/560651736.db2.gz	HYJIAAWSMWUPEQ-RIYZIHGNSA-N	-1	0	402.204	3.869	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1O	ZINC000409096315	560675790	/nfs/dbraw/zinc/67/57/90/560675790.db2.gz	JNZRLAKFQAQRRB-DHZHZOJOSA-N	-1	0	421.236	3.764	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)[N-]C1=S	ZINC000409098445	560676226	/nfs/dbraw/zinc/67/62/26/560676226.db2.gz	QHPWKDJBFNIANX-SDNWHVSQSA-N	-1	0	415.902	3.673	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)[N-]C2=S)c1C	ZINC000409127952	560681260	/nfs/dbraw/zinc/68/12/60/560681260.db2.gz	RCUWNEXBTMGIPU-NTUHNPAUSA-N	-1	0	421.341	3.959	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O	ZINC000409137250	560682669	/nfs/dbraw/zinc/68/26/69/560682669.db2.gz	WDMQWBLSBSETKF-XNTDXEJSSA-N	-1	0	400.887	3.797	40	10		HHCBRM
COc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c2C)cc1	ZINC000409201263	560692918	/nfs/dbraw/zinc/69/29/18/560692918.db2.gz	PADTUNHSMQYSCJ-MOSHPQCFSA-N	-1	0	407.470	3.507	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1C	ZINC000409234907	560700997	/nfs/dbraw/zinc/70/09/97/560700997.db2.gz	AJTMZEATLDZBJD-GXDHUFHOSA-N	-1	0	414.845	3.640	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC(C)C	ZINC000409242127	560702463	/nfs/dbraw/zinc/70/24/63/560702463.db2.gz	MKCVYYDAVLSXCX-GZTJUZNOSA-N	-1	0	424.522	3.931	40	10		HHCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000001083216	560727096	/nfs/dbraw/zinc/72/70/96/560727096.db2.gz	YPXGYMPRVZXXRU-RIYZIHGNSA-N	-1	0	420.694	3.630	40	10		HHCBRM
CCOc1cc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000003004018	560732902	/nfs/dbraw/zinc/73/29/02/560732902.db2.gz	UYQASGKUISCHBL-WOJGMQOQSA-N	-1	0	412.467	3.940	40	10		HHCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)C1=O	ZINC000005947685	560739111	/nfs/dbraw/zinc/73/91/11/560739111.db2.gz	ZEZTWHAOWXSQKB-RIYZIHGNSA-N	-1	0	416.821	3.978	40	10		HHCBRM
CCOc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(c3ccc(F)cc3)C1=O)OCO2	ZINC000016689299	560861169	/nfs/dbraw/zinc/86/11/69/560861169.db2.gz	LCEVBZNHGUQWGR-AUWJEWJLSA-N	-1	0	414.414	3.625	40	10		HHCBRM
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005793546	568454072	/nfs/dbraw/zinc/45/40/72/568454072.db2.gz	HRLXEJZZCIFVET-KNPMLCFXSA-N	-1	0	405.516	3.879	40	10		HHCBRM
CCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000027103788	568503710	/nfs/dbraw/zinc/50/37/10/568503710.db2.gz	JUTKGCDFJHMFPO-COOUDCDJSA-N	-1	0	409.529	3.939	40	10		HHCBRM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361136	569072412	/nfs/dbraw/zinc/07/24/12/569072412.db2.gz	MBEYOHPLTVUSAP-NIFLVVHWSA-N	-1	0	407.476	3.657	40	10		HHCBRM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361176	569072417	/nfs/dbraw/zinc/07/24/17/569072417.db2.gz	QSCFCDMEZDKZBI-PBXDPIQXSA-N	-1	0	421.503	3.527	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c(OCC)c1	ZINC000107741462	569352929	/nfs/dbraw/zinc/35/29/29/569352929.db2.gz	XZECNIQDCUGRNC-CPNJWEJPSA-N	-1	0	424.522	3.878	40	10		HHCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)c1	ZINC000006547223	569359981	/nfs/dbraw/zinc/35/99/81/569359981.db2.gz	QCCCVKZHGBWYHQ-LDADJPATSA-N	-1	0	407.445	3.709	40	10		HHCBRM
CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000033739190	569360536	/nfs/dbraw/zinc/36/05/36/569360536.db2.gz	GSPGTYMPESKDMD-ZROIWOOFSA-N	-1	0	421.678	3.963	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1	ZINC000008564345	132330329	/nfs/dbraw/zinc/33/03/29/132330329.db2.gz	BWUVMHUXOQGMPB-WJDWOHSUSA-N	-1	0	415.243	3.514	40	10		HHCBRM
Cc1nn(-c2ccccc2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000041074175	527537320	/nfs/dbraw/zinc/53/73/20/527537320.db2.gz	ZUUFWUBIARFZJU-UNOMPAQXSA-N	-1	0	420.856	3.809	40	10		HHCBRM
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408530231	557298066	/nfs/dbraw/zinc/29/80/66/557298066.db2.gz	LLGWRTKANYBAEK-YVLHZVERSA-N	-1	0	415.492	3.851	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S	ZINC000002411938	557345573	/nfs/dbraw/zinc/34/55/73/557345573.db2.gz	CIXZVIJVZIFNNJ-NTUHNPAUSA-N	-1	0	402.478	3.842	40	10		HHCBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000005374213	557648510	/nfs/dbraw/zinc/64/85/10/557648510.db2.gz	BHTVPEDOELWNEW-LCFDYFRESA-N	-1	0	400.319	3.904	40	10		HHCBRM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000035898112	557651088	/nfs/dbraw/zinc/65/10/88/557651088.db2.gz	ZJKRRHWEUHXNHV-KNPMLCFXSA-N	-1	0	403.500	3.655	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNNc1cccc2ccccc21	ZINC000016545038	558795622	/nfs/dbraw/zinc/79/56/22/558795622.db2.gz	AFNJHKRAAJFNTQ-ATVHPVEESA-N	-1	0	406.829	3.781	40	10		HHCBRM
CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000016692102	558800226	/nfs/dbraw/zinc/80/02/26/558800226.db2.gz	MHTPQYOARNKFMK-GDNBJRDFSA-N	-1	0	421.678	3.963	40	10		HHCBRM
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408790116	560641590	/nfs/dbraw/zinc/64/15/90/560641590.db2.gz	NVVNUTKEODVWLX-UYRXBGFRSA-N	-1	0	407.422	3.661	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C	ZINC000408803771	560643026	/nfs/dbraw/zinc/64/30/26/560643026.db2.gz	AGUXFEACMFPBRT-OQLLNIDSSA-N	-1	0	414.845	3.802	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1	ZINC000408805037	560643264	/nfs/dbraw/zinc/64/32/64/560643264.db2.gz	CMYWIZLMCIKLMT-XDHOZWIPSA-N	-1	0	424.453	3.548	40	10		HHCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408812756	560644283	/nfs/dbraw/zinc/64/42/83/560644283.db2.gz	MIYRIMZMMAORQV-XNTDXEJSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000408869399	560648873	/nfs/dbraw/zinc/64/88/73/560648873.db2.gz	CUXRCIPOKLZUPY-XSFVSMFZSA-N	-1	0	414.417	3.683	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC(C)C	ZINC000408895294	560650638	/nfs/dbraw/zinc/65/06/38/560650638.db2.gz	DSTOYOOLAIUFLJ-LDADJPATSA-N	-1	0	408.454	3.766	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1	ZINC000408960245	560657829	/nfs/dbraw/zinc/65/78/29/560657829.db2.gz	KDLPEHQBGACWQW-CPNJWEJPSA-N	-1	0	409.873	3.997	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000409096849	560675851	/nfs/dbraw/zinc/67/58/51/560675851.db2.gz	LGBYUWFSPRROEO-FOWTUZBSSA-N	-1	0	409.486	3.566	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC)C2=O)c1	ZINC000409097860	560676029	/nfs/dbraw/zinc/67/60/29/560676029.db2.gz	HPZQNSICCUOKDI-GZTJUZNOSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O	ZINC000409105773	560678482	/nfs/dbraw/zinc/67/84/82/560678482.db2.gz	KKOOQCKLAPZEJW-LFIBNONCSA-N	-1	0	400.887	3.878	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1	ZINC000409119921	560679506	/nfs/dbraw/zinc/67/95/06/560679506.db2.gz	UKTLZZAYPZEFEX-UKTHLTGXSA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc12	ZINC000409139939	560683321	/nfs/dbraw/zinc/68/33/21/560683321.db2.gz	GODRXLHXTQVQEZ-XSFVSMFZSA-N	-1	0	400.434	3.901	40	10		HHCBRM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)o1	ZINC000409195690	560690337	/nfs/dbraw/zinc/69/03/37/560690337.db2.gz	KEKGMNUDBVWQIB-BOPFTXTBSA-N	-1	0	409.398	3.568	40	10		HHCBRM
COc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2C)cc1	ZINC000409210664	560694903	/nfs/dbraw/zinc/69/49/03/560694903.db2.gz	GCEVTGVNODVPPV-STZFKDTASA-N	-1	0	415.449	3.769	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccn1	ZINC000409234417	560700938	/nfs/dbraw/zinc/70/09/38/560700938.db2.gz	WLYYLQDNIRLVPW-QGOAFFKASA-N	-1	0	416.506	3.629	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@H](C)CC)C1=O	ZINC000409235524	560701141	/nfs/dbraw/zinc/70/11/41/560701141.db2.gz	BZEOQSKNRMFAHK-PWVLXBNSSA-N	-1	0	408.454	3.929	40	10		HHCBRM
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OC	ZINC000409332835	560710532	/nfs/dbraw/zinc/71/05/32/560710532.db2.gz	RPNNSZZMDWAMHS-XNTDXEJSSA-N	-1	0	420.537	3.702	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1O	ZINC000016688249	560861246	/nfs/dbraw/zinc/86/12/46/560861246.db2.gz	KGUSRUXHOCDKAG-RIYZIHGNSA-N	-1	0	416.817	3.960	40	10		HHCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1F	ZINC000058823237	568699785	/nfs/dbraw/zinc/69/97/85/568699785.db2.gz	YTXJQNUUHZXOBU-UHFFFAOYSA-N	-1	0	404.781	3.656	40	10		HHCBRM
COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(Cc2ccco2)C1=O	ZINC000256055507	568774805	/nfs/dbraw/zinc/77/48/05/568774805.db2.gz	JHAZDRWBELIGMW-NVNXTCNLSA-N	-1	0	414.464	3.869	40	10		HHCBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1	ZINC000033653670	569360372	/nfs/dbraw/zinc/36/03/72/569360372.db2.gz	SMLSWYRZZDPOBC-HKWRFOASSA-N	-1	0	400.434	3.736	40	10		HHCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c1	ZINC000009259868	132337669	/nfs/dbraw/zinc/33/76/69/132337669.db2.gz	SRGLCJHKCFUSND-PXNMLYILSA-N	-1	0	424.254	3.905	40	10		HHCBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000005374214	557648429	/nfs/dbraw/zinc/64/84/29/557648429.db2.gz	BHTVPEDOELWNEW-HQQGHWSLSA-N	-1	0	400.319	3.904	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)c1	ZINC000008821638	557810730	/nfs/dbraw/zinc/81/07/30/557810730.db2.gz	DRVBZXCTHHAXRQ-ZCXUNETKSA-N	-1	0	424.503	3.511	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	ZINC000408803838	560642981	/nfs/dbraw/zinc/64/29/81/560642981.db2.gz	AYBGIAUDVWSXLW-KGENOOAVSA-N	-1	0	414.417	3.638	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c(OC(C)C)c1	ZINC000408808640	560643711	/nfs/dbraw/zinc/64/37/11/560643711.db2.gz	QMSAYLOZSJASFI-WOJGMQOQSA-N	-1	0	408.454	3.766	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)cc1	ZINC000408858410	560647491	/nfs/dbraw/zinc/64/74/91/560647491.db2.gz	PBOZOLDCDXWOAG-CPNJWEJPSA-N	-1	0	421.840	3.806	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1	ZINC000408884430	560649717	/nfs/dbraw/zinc/64/97/17/560649717.db2.gz	XUYPWNZUYSYUIT-KGENOOAVSA-N	-1	0	416.408	3.789	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)cc3)C2=O)cc1	ZINC000408901594	560651486	/nfs/dbraw/zinc/65/14/86/560651486.db2.gz	ZADJQBKBDKJQEB-HKWRFOASSA-N	-1	0	408.454	3.931	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C)cn1	ZINC000408964431	560658899	/nfs/dbraw/zinc/65/88/99/560658899.db2.gz	RNOUSVJXHMILEQ-UDWIEESQSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c(OCC)c1	ZINC000408983683	560661024	/nfs/dbraw/zinc/66/10/24/560661024.db2.gz	NKJIWZGUKFMIEP-UYRXBGFRSA-N	-1	0	408.454	3.713	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C2=O)cc1	ZINC000409046311	560669420	/nfs/dbraw/zinc/66/94/20/560669420.db2.gz	JWUUHLGCSADFID-RIYZIHGNSA-N	-1	0	421.236	3.677	40	10		HHCBRM
COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000409052836	560669640	/nfs/dbraw/zinc/66/96/40/560669640.db2.gz	AWWCMMXHUOUNNB-NTUHNPAUSA-N	-1	0	409.200	3.808	40	10		HHCBRM
Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409049192	560669833	/nfs/dbraw/zinc/66/98/33/560669833.db2.gz	VMZRLVNTYULCJE-UHFFFAOYSA-N	-1	0	405.237	3.630	40	10		HHCBRM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000409129214	560681491	/nfs/dbraw/zinc/68/14/91/560681491.db2.gz	JADPQWUEOAZBNL-FRKPEAEDSA-N	-1	0	420.874	3.877	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(F)cc2)C1=O	ZINC000409238357	560699564	/nfs/dbraw/zinc/69/95/64/560699564.db2.gz	NDUULRSBYLQTQX-NBVRZTHBSA-N	-1	0	419.412	3.682	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC	ZINC000409246560	560701542	/nfs/dbraw/zinc/70/15/42/560701542.db2.gz	CUIULHVWNMTCRB-SFQUDFHCSA-N	-1	0	410.495	3.659	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cs2)C1=O	ZINC000409241979	560702477	/nfs/dbraw/zinc/70/24/77/560702477.db2.gz	TUWUVQOSFQHLDD-XYOKQWHBSA-N	-1	0	421.272	3.576	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl	ZINC000409243105	560702748	/nfs/dbraw/zinc/70/27/48/560702748.db2.gz	YOWFLLBGCDLSRL-NTEUORMPSA-N	-1	0	400.887	3.797	40	10		HHCBRM
Cc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)C(C)=CC(C)(C)N2C	ZINC000208464541	568445952	/nfs/dbraw/zinc/44/59/52/568445952.db2.gz	YASGPSNSHMZAKV-LZYBPNLTSA-N	-1	0	402.541	3.913	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1	ZINC000058823137	568699840	/nfs/dbraw/zinc/69/98/40/568699840.db2.gz	XTJPXJSZOHGZTQ-UHFFFAOYSA-N	-1	0	400.818	3.907	40	10		HHCBRM
COCCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C	ZINC000059087207	568700400	/nfs/dbraw/zinc/70/04/00/568700400.db2.gz	SWEINYPBGVLVDM-GZTJUZNOSA-N	-1	0	401.850	3.911	40	10		HHCBRM
CCOc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c1	ZINC000059138543	568701518	/nfs/dbraw/zinc/70/15/18/568701518.db2.gz	AUXBUQNOGSOOSV-GHRIWEEISA-N	-1	0	411.483	3.950	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1	ZINC000005595463	568935662	/nfs/dbraw/zinc/93/56/62/568935662.db2.gz	ROKASFPBXCLVPR-AQTBWJFISA-N	-1	0	407.882	3.962	40	10		HHCBRM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000016927534	569267560	/nfs/dbraw/zinc/26/75/60/569267560.db2.gz	JVHBCVSYFPWMSA-UEXNTNOUSA-N	-1	0	423.515	3.903	40	10		HHCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1O	ZINC000016929387	569267722	/nfs/dbraw/zinc/26/77/22/569267722.db2.gz	SYBQUDYASGCIOQ-IUXPMGMMSA-N	-1	0	411.460	3.815	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033914320	569360677	/nfs/dbraw/zinc/36/06/77/569360677.db2.gz	WGPXLMVFQWAAHT-HNEYUBDGSA-N	-1	0	400.862	3.987	40	10		HHCBRM
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000038392180	569360849	/nfs/dbraw/zinc/36/08/49/569360849.db2.gz	HGURCLSVRGTNDJ-MHWRWJLKSA-N	-1	0	401.469	3.772	40	10		HHCBRM
O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000105542967	569360917	/nfs/dbraw/zinc/36/09/17/569360917.db2.gz	VSXZFGABHWHEOT-UAOPFNKOSA-N	-1	0	413.777	3.916	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000005898913	132308446	/nfs/dbraw/zinc/30/84/46/132308446.db2.gz	STWZTVGQVJABMB-RGEXLXHISA-N	-1	0	409.873	3.997	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408533489	557317001	/nfs/dbraw/zinc/31/70/01/557317001.db2.gz	SMVQTXKZWGNJKY-LCYFTJDESA-N	-1	0	406.225	3.581	40	10		HHCBRM
O=C1[N-]N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(O)ccc2c1C=CCC2	ZINC000005749906	557672807	/nfs/dbraw/zinc/67/28/07/557672807.db2.gz	QLQUAZFCSMKOIJ-BOPFTXTBSA-N	-1	0	400.356	3.832	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)c1C	ZINC000012462891	558419646	/nfs/dbraw/zinc/41/96/46/558419646.db2.gz	XPUZBWQCFSWVGF-ZCXUNETKSA-N	-1	0	424.503	3.511	40	10		HHCBRM
CCOc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O	ZINC000015013420	558701222	/nfs/dbraw/zinc/70/12/22/558701222.db2.gz	MMHCCRPMINXKCZ-KAMYIIQDSA-N	-1	0	400.887	3.878	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OCC)c3)C2=O)cc1	ZINC000015219366	558728212	/nfs/dbraw/zinc/72/82/12/558728212.db2.gz	KKGSBBXDTXFNDS-AQTBWJFISA-N	-1	0	424.453	3.549	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cccc4ccccc43)C2=O)c(C)c1	ZINC000016284850	558783784	/nfs/dbraw/zinc/78/37/84/558783784.db2.gz	ZQQMGZWZBFAIAC-AQTBWJFISA-N	-1	0	400.438	3.540	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000016691687	558800070	/nfs/dbraw/zinc/80/00/70/558800070.db2.gz	BXWATZOGTVAPHQ-WJDWOHSUSA-N	-1	0	419.359	3.683	40	10		HHCBRM
CC1(C)Cc2c(cc(CC(=O)[O-])n2-c2ccc(I)cc2)C(=O)C1	ZINC000072221219	559169689	/nfs/dbraw/zinc/16/96/89/559169689.db2.gz	JCXGDZZQKALQQA-UHFFFAOYSA-N	-1	0	423.250	3.864	40	10		HHCBRM
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408804363	560643075	/nfs/dbraw/zinc/64/30/75/560643075.db2.gz	DYBSYJNPPRVJAQ-DEDYPNTBSA-N	-1	0	416.433	3.999	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000408844172	560646346	/nfs/dbraw/zinc/64/63/46/560646346.db2.gz	BJSUZARVELBWHD-FMIVXFBMSA-N	-1	0	407.278	3.833	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1	ZINC000408850540	560647163	/nfs/dbraw/zinc/64/71/63/560647163.db2.gz	BQKRXYYYEFCOHR-DEDYPNTBSA-N	-1	0	421.497	3.825	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1	ZINC000408858308	560647499	/nfs/dbraw/zinc/64/74/99/560647499.db2.gz	YEQMPUMONPNDJZ-QGOAFFKASA-N	-1	0	424.453	3.549	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC	ZINC000408867160	560648618	/nfs/dbraw/zinc/64/86/18/560648618.db2.gz	JRQVPSUOEBHIAT-ZROIWOOFSA-N	-1	0	416.886	3.579	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)C1=O	ZINC000408883892	560649733	/nfs/dbraw/zinc/64/97/33/560649733.db2.gz	SDMYWQHLZAWVFP-ATVHPVEESA-N	-1	0	408.454	3.711	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000408899579	560651098	/nfs/dbraw/zinc/65/10/98/560651098.db2.gz	PGWOWOLMQCILIA-GHRIWEEISA-N	-1	0	413.861	3.980	40	10		HHCBRM
CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408900068	560651216	/nfs/dbraw/zinc/65/12/16/560651216.db2.gz	RHPGGTMDHRARKP-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2C)C1=O	ZINC000408960703	560657586	/nfs/dbraw/zinc/65/75/86/560657586.db2.gz	OBMVNIKMSZDFCN-HMMYKYKNSA-N	-1	0	403.482	3.824	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000408960212	560657822	/nfs/dbraw/zinc/65/78/22/560657822.db2.gz	JQXJHDHMRDAYAV-HMMYKYKNSA-N	-1	0	405.523	3.817	40	10		HHCBRM
Cc1ccsc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000408992663	560662524	/nfs/dbraw/zinc/66/25/24/560662524.db2.gz	AUDNPXVMNKIOJO-XYOKQWHBSA-N	-1	0	405.273	3.794	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000409015505	560666422	/nfs/dbraw/zinc/66/64/22/560666422.db2.gz	BISYGIRYNHUNRG-GHRIWEEISA-N	-1	0	413.474	3.630	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	ZINC000409020434	560667483	/nfs/dbraw/zinc/66/74/83/560667483.db2.gz	PHHRJNQPKVMSTP-LDADJPATSA-N	-1	0	424.522	3.932	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000409065289	560672231	/nfs/dbraw/zinc/67/22/31/560672231.db2.gz	HJYAZQUHDWOIOD-SFQUDFHCSA-N	-1	0	423.513	3.874	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000409096410	560675859	/nfs/dbraw/zinc/67/58/59/560675859.db2.gz	DEYAGDWFPMKPGR-XNTDXEJSSA-N	-1	0	409.898	3.971	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OC	ZINC000409137136	560682683	/nfs/dbraw/zinc/68/26/83/560682683.db2.gz	VGVMSZCBCSMZIH-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1OC	ZINC000409215935	560697141	/nfs/dbraw/zinc/69/71/41/560697141.db2.gz	CFSSIBGBIVWWFI-LFIBNONCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000409228417	560698335	/nfs/dbraw/zinc/69/83/35/560698335.db2.gz	AAABPGZVQUWTMY-MHWRWJLKSA-N	-1	0	400.887	3.878	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(C(C)(C)C)c2C)C1=O	ZINC000409251745	560703516	/nfs/dbraw/zinc/70/35/16/560703516.db2.gz	QMARPHGHJPEYKW-GHRIWEEISA-N	-1	0	409.486	3.925	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)cc1	ZINC000409375340	560716154	/nfs/dbraw/zinc/71/61/54/560716154.db2.gz	JHFNAZUXKFSOEV-UKTHLTGXSA-N	-1	0	421.341	3.904	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000409390752	560718725	/nfs/dbraw/zinc/71/87/25/560718725.db2.gz	GVAKFLLPRSNTQJ-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1C	ZINC000409391121	560718815	/nfs/dbraw/zinc/71/88/15/560718815.db2.gz	HJFCUXIERBBYRF-XSFVSMFZSA-N	-1	0	414.465	3.718	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000409394152	560719574	/nfs/dbraw/zinc/71/95/74/560719574.db2.gz	WOCXZUPFEOUMDA-FYJGNVAPSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000001215346	560727853	/nfs/dbraw/zinc/72/78/53/560727853.db2.gz	TZMUBDKRIJHQCF-NTEUORMPSA-N	-1	0	420.694	3.630	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Cl)cc1OC	ZINC000104024692	560735273	/nfs/dbraw/zinc/73/52/73/560735273.db2.gz	KGXQMVYFMDIHDD-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000062825008	560857632	/nfs/dbraw/zinc/85/76/32/560857632.db2.gz	QZAPNTGPYHULRL-GMROUXNLSA-N	-1	0	418.521	3.675	40	10		HHCBRM
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000222742410	568525330	/nfs/dbraw/zinc/52/53/30/568525330.db2.gz	CZLYUQVQOBKOEY-UXHICEINSA-N	-1	0	406.511	3.790	40	10		HHCBRM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccc(I)c1	ZINC000033436481	568696964	/nfs/dbraw/zinc/69/69/64/568696964.db2.gz	IQBDEQCLKVOAGP-AUWJEWJLSA-N	-1	0	407.211	3.719	40	10		HHCBRM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S	ZINC000256055703	568774843	/nfs/dbraw/zinc/77/48/43/568774843.db2.gz	QDUCFMZGSXODIA-BQGMYUGNSA-N	-1	0	421.503	3.527	40	10		HHCBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000016936653	569267725	/nfs/dbraw/zinc/26/77/25/569267725.db2.gz	ZIDCKZJEIMEKGX-LCFDYFRESA-N	-1	0	400.319	3.904	40	10		HHCBRM
CCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000107793735	569352968	/nfs/dbraw/zinc/35/29/68/569352968.db2.gz	SQRWMVIYFRJLTD-QGOAFFKASA-N	-1	0	424.453	3.549	40	10		HHCBRM
CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408553144	557442410	/nfs/dbraw/zinc/44/24/10/557442410.db2.gz	XXJRIKWSXZIHAQ-UVTDQMKNSA-N	-1	0	419.865	3.622	40	10		HHCBRM
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)C2	ZINC000035430856	557560190	/nfs/dbraw/zinc/56/01/90/557560190.db2.gz	RWBUMSZPGMQAES-HHUWUSPPSA-N	-1	0	401.894	3.611	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)ccc1O	ZINC000005372040	557648111	/nfs/dbraw/zinc/64/81/11/557648111.db2.gz	FIXNAXUDUCDXNX-PXNMLYILSA-N	-1	0	401.465	3.813	40	10		HHCBRM
CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O	ZINC000005475704	557655922	/nfs/dbraw/zinc/65/59/22/557655922.db2.gz	SNBWDCOJMFZURA-BOPFTXTBSA-N	-1	0	415.287	3.926	40	10		HHCBRM
CN(C1=NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1)c1ccc(Cl)cc1	ZINC000006568850	557708458	/nfs/dbraw/zinc/70/84/58/557708458.db2.gz	DKTCAYSMMMUOAP-YBEGLDIGSA-N	-1	0	402.859	3.910	40	10		HHCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)ccc1Br	ZINC000408753234	557814244	/nfs/dbraw/zinc/81/42/44/557814244.db2.gz	FROZPMXFEZQQMM-UKTHLTGXSA-N	-1	0	403.207	3.563	40	10		HHCBRM
Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408756003	557817831	/nfs/dbraw/zinc/81/78/31/557817831.db2.gz	GWCICEQCQDUSTG-FYJGNVAPSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1OC	ZINC000016712301	558801883	/nfs/dbraw/zinc/80/18/83/558801883.db2.gz	NFABKTUPJJQJHP-RERGGYADSA-N	-1	0	409.529	3.939	40	10		HHCBRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000260455467	559288158	/nfs/dbraw/zinc/28/81/58/559288158.db2.gz	UOYHPQFKRNPNQR-IRXDYDNUSA-N	-1	0	415.559	3.785	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000408771559	560638852	/nfs/dbraw/zinc/63/88/52/560638852.db2.gz	JERKACXTBAEJJC-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OCC)c3)C2=O)cc1	ZINC000408896033	560650725	/nfs/dbraw/zinc/65/07/25/560650725.db2.gz	GKEXBGFUCMLVCJ-AQTBWJFISA-N	-1	0	424.453	3.549	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000408900092	560651223	/nfs/dbraw/zinc/65/12/23/560651223.db2.gz	RLZHNSBNUCNVOP-KGENOOAVSA-N	-1	0	415.449	3.769	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1	ZINC000408968052	560659380	/nfs/dbraw/zinc/65/93/80/560659380.db2.gz	ZDUSSDRARDJVBC-FYJGNVAPSA-N	-1	0	417.440	3.959	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409060398	560671064	/nfs/dbraw/zinc/67/10/64/560671064.db2.gz	ZNWBRSGHWZPFRP-NTUHNPAUSA-N	-1	0	421.236	3.764	40	10		HHCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000409074213	560673651	/nfs/dbraw/zinc/67/36/51/560673651.db2.gz	KZFNIXHFSSDMSI-GHRIWEEISA-N	-1	0	423.513	3.820	40	10		HHCBRM
COCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000409144441	560684392	/nfs/dbraw/zinc/68/43/92/560684392.db2.gz	FRKLEGUXVDIDDI-OQLLNIDSSA-N	-1	0	407.831	3.981	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1Cl	ZINC000409200235	560692484	/nfs/dbraw/zinc/69/24/84/560692484.db2.gz	HREGGMXRQORZCU-LDADJPATSA-N	-1	0	409.873	3.915	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C	ZINC000409220951	560698766	/nfs/dbraw/zinc/69/87/66/560698766.db2.gz	IHIWESCOXUVQDS-OQLLNIDSSA-N	-1	0	420.412	3.854	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2OC(C)C)C1=O	ZINC000409238503	560699518	/nfs/dbraw/zinc/69/95/18/560699518.db2.gz	ANDCMPNXQHPZOA-DTQAZKPQSA-N	-1	0	424.453	3.548	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)ccc2C)C1=O	ZINC000409232565	560700534	/nfs/dbraw/zinc/70/05/34/560700534.db2.gz	RGASVYTXCDEKJR-XNTDXEJSSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000409245346	560701420	/nfs/dbraw/zinc/70/14/20/560701420.db2.gz	RGKOOFQCFJFHSS-RVDMUPIBSA-N	-1	0	400.887	3.959	40	10		HHCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)cc1	ZINC000409246801	560701606	/nfs/dbraw/zinc/70/16/06/560701606.db2.gz	BJBQORXRNJPPEV-NTEUORMPSA-N	-1	0	419.300	3.997	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccn1	ZINC000409241302	560702315	/nfs/dbraw/zinc/70/23/15/560702315.db2.gz	QYGTVBQFIGDCHA-CPNJWEJPSA-N	-1	0	416.506	3.629	40	10		HHCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409243472	560702744	/nfs/dbraw/zinc/70/27/44/560702744.db2.gz	YYMJGQZBVKLBKN-XMHGGMMESA-N	-1	0	401.491	3.925	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000409243626	560702836	/nfs/dbraw/zinc/70/28/36/560702836.db2.gz	XEOWPFJHXSTMKH-DHZHZOJOSA-N	-1	0	407.278	3.833	40	10		HHCBRM
Cc1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000409342504	560711721	/nfs/dbraw/zinc/71/17/21/560711721.db2.gz	FLKLXOBBPULMSS-VIZOYTHASA-N	-1	0	418.452	3.757	40	10		HHCBRM
Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2)c1	ZINC000409373906	560717048	/nfs/dbraw/zinc/71/70/48/560717048.db2.gz	WTFPTAWYYHQHNO-FYJGNVAPSA-N	-1	0	416.433	3.829	40	10		HHCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)cc1	ZINC000409373338	560717063	/nfs/dbraw/zinc/71/70/63/560717063.db2.gz	HDJPZYPIRYRPEA-GZTJUZNOSA-N	-1	0	408.435	3.994	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000409393063	560719305	/nfs/dbraw/zinc/71/93/05/560719305.db2.gz	OUEYEXBAWMUASP-FYJGNVAPSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](CC)C2	ZINC000169300058	560762903	/nfs/dbraw/zinc/76/29/03/560762903.db2.gz	AVSFNVCPZFZDDL-XRQSXFTLSA-N	-1	0	417.527	3.901	40	10		HHCBRM
COc1cc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000016915515	560861727	/nfs/dbraw/zinc/86/17/27/560861727.db2.gz	PJUKSGHGEPVFBT-LZYBPNLTSA-N	-1	0	418.858	3.894	40	10		HHCBRM
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000222742337	568525215	/nfs/dbraw/zinc/52/52/15/568525215.db2.gz	CZLYUQVQOBKOEY-WOJBJXKFSA-N	-1	0	406.511	3.790	40	10		HHCBRM
CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000225773878	568673261	/nfs/dbraw/zinc/67/32/61/568673261.db2.gz	FPUNATGJXAZBLG-DCRFOKDXSA-N	-1	0	417.527	3.901	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccccc1Cl	ZINC000107984689	569353213	/nfs/dbraw/zinc/35/32/13/569353213.db2.gz	JEDFJGRJRHDJPI-NTMALXAHSA-N	-1	0	410.257	3.876	40	10		HHCBRM
COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000033784594	569360453	/nfs/dbraw/zinc/36/04/53/569360453.db2.gz	OPOAAFSRRHOXCR-GHXNOFRVSA-N	-1	0	407.651	3.573	40	10		HHCBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(F)cc1	ZINC000035419926	569360756	/nfs/dbraw/zinc/36/07/56/569360756.db2.gz	NUROXUTXYLAIGI-ZHZULCJRSA-N	-1	0	418.424	3.875	40	10		HHCBRM
O=C1C=CC(=NNc2ccccc2Cl)C=C1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000107930547	569361095	/nfs/dbraw/zinc/36/10/95/569361095.db2.gz	PPNBEKZJFTWOKV-NEWMYXEMSA-N	-1	0	413.777	3.916	40	10		HHCBRM
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC	ZINC000027530363	569366076	/nfs/dbraw/zinc/36/60/76/569366076.db2.gz	STCBGADZKBEIDQ-LZYBPNLTSA-N	-1	0	417.464	3.513	40	10		HHCBRM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000001203003	132242129	/nfs/dbraw/zinc/24/21/29/132242129.db2.gz	WGBZIWNGYYGZSK-VIZOYTHASA-N	-1	0	412.829	3.859	40	10		HHCBRM
COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000002261233	557332359	/nfs/dbraw/zinc/33/23/59/557332359.db2.gz	DPRQAHPQYRUTPT-ABPVARSCSA-N	-1	0	415.492	3.731	40	10		HHCBRM
CC(C)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000408605971	557518075	/nfs/dbraw/zinc/51/80/75/557518075.db2.gz	ZONJBLJJNGGSQN-YBEGLDIGSA-N	-1	0	415.287	3.945	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)ccc1O	ZINC000005373387	557648290	/nfs/dbraw/zinc/64/82/90/557648290.db2.gz	SFDVQGPCXYTDCX-PXNMLYILSA-N	-1	0	401.465	3.813	40	10		HHCBRM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Cl)cc(Br)c3O)C2=O)cc1	ZINC000005751388	557672958	/nfs/dbraw/zinc/67/29/58/557672958.db2.gz	SQWMBMSHOVZOBC-QPEQYQDCSA-N	-1	0	407.651	3.578	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1	ZINC000005874657	557678569	/nfs/dbraw/zinc/67/85/69/557678569.db2.gz	BHXDECPTQGAPTE-RCCKNPSSSA-N	-1	0	419.481	3.742	40	10		HHCBRM
COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000015012527	558701048	/nfs/dbraw/zinc/70/10/48/558701048.db2.gz	HEUQEWVCZSQCHB-SDQBBNPISA-N	-1	0	409.200	3.808	40	10		HHCBRM
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000016156262	558774124	/nfs/dbraw/zinc/77/41/24/558774124.db2.gz	CCRFNIDXSMFTTO-ZSOIEALJSA-N	-1	0	402.204	3.869	40	10		HHCBRM
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O	ZINC000408757763	558786342	/nfs/dbraw/zinc/78/63/42/558786342.db2.gz	QVNKTFRQOVCAGV-OQLLNIDSSA-N	-1	0	402.296	3.826	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	ZINC000083313389	558833578	/nfs/dbraw/zinc/83/35/78/558833578.db2.gz	ZWFMNSIMMWZUKU-XDHOZWIPSA-N	-1	0	420.396	3.660	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)C	ZINC000408803494	560643022	/nfs/dbraw/zinc/64/30/22/560643022.db2.gz	PRQKBVKDZZLPLZ-LDADJPATSA-N	-1	0	408.454	3.847	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000408816072	560644458	/nfs/dbraw/zinc/64/44/58/560644458.db2.gz	SKGCEXDRSDYRLQ-QGOAFFKASA-N	-1	0	424.453	3.549	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)[N-]C2=S)cc1Cl	ZINC000408818678	560644993	/nfs/dbraw/zinc/64/49/93/560644993.db2.gz	QBHKSGGVKDUPPA-CXUHLZMHSA-N	-1	0	409.898	3.971	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000408859076	560648236	/nfs/dbraw/zinc/64/82/36/560648236.db2.gz	VWSFZZDMYJABOG-DHZHZOJOSA-N	-1	0	422.249	3.733	40	10		HHCBRM
CCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408879766	560649304	/nfs/dbraw/zinc/64/93/04/560649304.db2.gz	DBWNBTIYNCGPLF-VBKFSLOCSA-N	-1	0	400.887	3.960	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OC)c(OC)c2)C1=O	ZINC000408875657	560649328	/nfs/dbraw/zinc/64/93/28/560649328.db2.gz	GSSHSRKGVNTCML-ZROIWOOFSA-N	-1	0	414.845	3.586	40	10		HHCBRM
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)[O-]	ZINC000408902145	560651215	/nfs/dbraw/zinc/65/12/15/560651215.db2.gz	KVQDANLMWJVPBO-OVCLIPMQSA-N	-1	0	400.818	3.618	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cccc1OC	ZINC000408903120	560652360	/nfs/dbraw/zinc/65/23/60/560652360.db2.gz	PORCISNTMBKQLP-LVLBFHFTSA-N	-1	0	412.417	3.678	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000408953939	560657308	/nfs/dbraw/zinc/65/73/08/560657308.db2.gz	QSHTZMXHEXJXOG-XMHGGMMESA-N	-1	0	417.490	3.626	40	10		HHCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C(C)C	ZINC000408955237	560657435	/nfs/dbraw/zinc/65/74/35/560657435.db2.gz	UAYPWBYAYAYWJI-RQZCQDPDSA-N	-1	0	422.437	3.522	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)c1	ZINC000408960079	560657712	/nfs/dbraw/zinc/65/77/12/560657712.db2.gz	JDEVLJFTSOIFID-XSFVSMFZSA-N	-1	0	405.523	3.735	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000408965460	560658954	/nfs/dbraw/zinc/65/89/54/560658954.db2.gz	HQZKOQJSOSFIHU-YRNVUSSQSA-N	-1	0	411.664	3.830	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)[N-]C2=S)cc1	ZINC000408991981	560662364	/nfs/dbraw/zinc/66/23/64/560662364.db2.gz	PLBQCWLZZIACCY-FOWTUZBSSA-N	-1	0	421.503	3.966	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409020707	560666734	/nfs/dbraw/zinc/66/67/34/560666734.db2.gz	SGXSEZWCZPCABE-QGOAFFKASA-N	-1	0	404.447	3.787	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)o1	ZINC000409096216	560675788	/nfs/dbraw/zinc/67/57/88/560675788.db2.gz	JTHQQQXTUOBTAI-SDNWHVSQSA-N	-1	0	417.918	3.919	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409125814	560680964	/nfs/dbraw/zinc/68/09/64/560680964.db2.gz	ADBRVZGBUQKWLA-LBAFEDMOSA-N	-1	0	405.523	3.757	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC	ZINC000409130530	560681692	/nfs/dbraw/zinc/68/16/92/560681692.db2.gz	ILQITVMVTWVGPE-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c2C)cc1	ZINC000409145760	560684628	/nfs/dbraw/zinc/68/46/28/560684628.db2.gz	RKHHCRRVXNVEOJ-LICLKQGHSA-N	-1	0	400.456	3.614	40	10		HHCBRM
COc1ccccc1N1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)[N-]C1=S	ZINC000409173118	560686719	/nfs/dbraw/zinc/68/67/19/560686719.db2.gz	KBTCXLQRVMGXDH-SFQUDFHCSA-N	-1	0	424.522	3.967	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000409212217	560695574	/nfs/dbraw/zinc/69/55/74/560695574.db2.gz	QCQFETUPRWIWRE-KPKJPENVSA-N	-1	0	406.181	3.568	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000409227126	560698186	/nfs/dbraw/zinc/69/81/86/560698186.db2.gz	PAXLHHMBXGMYLE-SFQUDFHCSA-N	-1	0	423.513	3.874	40	10		HHCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000409232291	560700550	/nfs/dbraw/zinc/70/05/50/560700550.db2.gz	NSMKPUBTGATZHD-XSFVSMFZSA-N	-1	0	419.481	3.660	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409341298	560711439	/nfs/dbraw/zinc/71/14/39/560711439.db2.gz	BAHYBQNMIQVFKU-ZSOIEALJSA-N	-1	0	406.416	3.854	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1OCC(=O)[O-]	ZINC000409344639	560712189	/nfs/dbraw/zinc/71/21/89/560712189.db2.gz	HTKXHOVKSLOVOM-YBEGLDIGSA-N	-1	0	415.492	3.873	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OCC(=O)[O-]	ZINC000409338504	560712532	/nfs/dbraw/zinc/71/25/32/560712532.db2.gz	LARHCNXBXATKEB-DHDCSXOGSA-N	-1	0	419.455	3.704	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000409392420	560719170	/nfs/dbraw/zinc/71/91/70/560719170.db2.gz	MLCKSNQXLICHIM-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000409388987	560720353	/nfs/dbraw/zinc/72/03/53/560720353.db2.gz	ACYGCYCPFXKACQ-SFQUDFHCSA-N	-1	0	420.856	3.809	40	10		HHCBRM
CCOC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000005947929	560739150	/nfs/dbraw/zinc/73/91/50/560739150.db2.gz	QNSJWESXHAHWQI-LDADJPATSA-N	-1	0	423.469	3.839	40	10		HHCBRM
CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)C2	ZINC000020502571	568619530	/nfs/dbraw/zinc/61/95/30/568619530.db2.gz	RWBUMSZPGMQAES-IFFQIEHKSA-N	-1	0	401.894	3.611	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1	ZINC000033653671	568697997	/nfs/dbraw/zinc/69/79/97/568697997.db2.gz	SMLSWYRZZDPOBC-HMMYKYKNSA-N	-1	0	400.434	3.736	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)c(Br)c1	ZINC000059135794	568701002	/nfs/dbraw/zinc/70/10/02/568701002.db2.gz	SXZYVIAKMALESO-JXMROGBWSA-N	-1	0	421.247	3.965	40	10		HHCBRM
CC(C)[C@H](NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000255962316	568774117	/nfs/dbraw/zinc/77/41/17/568774117.db2.gz	AJSKPBGSGLIRQK-SFHVURJKSA-N	-1	0	404.492	3.556	40	10		HHCBRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O	ZINC000257228573	568784608	/nfs/dbraw/zinc/78/46/08/568784608.db2.gz	FUJFNUOKWPDTQC-UHFFFAOYSA-N	-1	0	421.449	3.707	40	10		HHCBRM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S	ZINC000054361103	569072313	/nfs/dbraw/zinc/07/23/13/569072313.db2.gz	YZESAYPDGUCDEM-WTBADFPDSA-N	-1	0	421.565	3.801	40	10		HHCBRM
Cc1ccc(Oc2ccc(NC=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)cc2)cc1	ZINC000109348914	569353784	/nfs/dbraw/zinc/35/37/84/569353784.db2.gz	VUQSMUATTPZRQZ-MOSHPQCFSA-N	-1	0	417.421	3.955	40	10		HHCBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccccc1F	ZINC000034846194	569360557	/nfs/dbraw/zinc/36/05/57/569360557.db2.gz	DKWALLQWQNDRSB-RGEXLXHISA-N	-1	0	418.424	3.875	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000107677200	569360957	/nfs/dbraw/zinc/36/09/57/569360957.db2.gz	PPXSDJOCDWIZQJ-QINSGFPZSA-N	-1	0	402.435	3.769	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1	ZINC000002394192	960470403	/nfs/dbraw/zinc/47/04/03/960470403.db2.gz	NGKXEZSVJXQVTA-UYRXBGFRSA-N	-1	0	403.438	3.726	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001154534	557213201	/nfs/dbraw/zinc/21/32/01/557213201.db2.gz	SHMZNOXQGMYZKM-LFIBNONCSA-N	-1	0	408.801	3.500	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Br)cc2)C1=O	ZINC000408537469	557348095	/nfs/dbraw/zinc/34/80/95/557348095.db2.gz	FKMCENBDMFFOJS-RVDMUPIBSA-N	-1	0	414.259	3.590	40	10		HHCBRM
COC(=O)c1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000005371726	557647901	/nfs/dbraw/zinc/64/79/01/557647901.db2.gz	KNKNNWFMVYJCBC-SXGWCWSVSA-N	-1	0	413.476	3.886	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OC	ZINC000005373714	557648274	/nfs/dbraw/zinc/64/82/74/557648274.db2.gz	ONNTXQSECPYIES-ZYFWLPNBSA-N	-1	0	409.529	3.794	40	10		HHCBRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000004338928	558426326	/nfs/dbraw/zinc/42/63/26/558426326.db2.gz	VDXJBYIOXSDEMF-CSKARUKUSA-N	-1	0	404.307	3.888	40	10		HHCBRM
CN(C)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000015134382	558724620	/nfs/dbraw/zinc/72/46/20/558724620.db2.gz	CKGGXJVAQDSIOD-UHFFFAOYSA-N	-1	0	415.540	3.545	40	10		HHCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005371594	560574320	/nfs/dbraw/zinc/57/43/20/560574320.db2.gz	CKOPVRIIUBFCOU-ZFZMKPAXSA-N	-1	0	404.307	3.743	40	10		HHCBRM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000004077100	560598483	/nfs/dbraw/zinc/59/84/83/560598483.db2.gz	KWIFGGDVXLFVGT-RDQDRAATSA-N	-1	0	400.319	3.760	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl	ZINC000408768667	560638788	/nfs/dbraw/zinc/63/87/88/560638788.db2.gz	ZWGZQIFRPJVZIV-XNTDXEJSSA-N	-1	0	416.886	3.579	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	ZINC000408782275	560641128	/nfs/dbraw/zinc/64/11/28/560641128.db2.gz	GPHXIIWSLHQPCQ-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408807902	560643628	/nfs/dbraw/zinc/64/36/28/560643628.db2.gz	IHUZSBVLOFPCQN-CPNJWEJPSA-N	-1	0	402.406	3.611	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408816177	560644446	/nfs/dbraw/zinc/64/44/46/560644446.db2.gz	XYEVDPWDAFITFW-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000408859513	560647868	/nfs/dbraw/zinc/64/78/68/560647868.db2.gz	XQHSJNKKFWCKGD-OVCLIPMQSA-N	-1	0	414.845	3.640	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1	ZINC000408899955	560651218	/nfs/dbraw/zinc/65/12/18/560651218.db2.gz	QRLVNTWJPRNCJC-AQTBWJFISA-N	-1	0	424.453	3.549	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1	ZINC000408955692	560657473	/nfs/dbraw/zinc/65/74/73/560657473.db2.gz	YOFUCYHOMJDCMH-XSFVSMFZSA-N	-1	0	417.490	3.626	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1	ZINC000409095144	560674759	/nfs/dbraw/zinc/67/47/59/560674759.db2.gz	GXPZJXFTJUNTPK-LDADJPATSA-N	-1	0	407.445	3.709	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)c1C	ZINC000409143622	560684267	/nfs/dbraw/zinc/68/42/67/560684267.db2.gz	MUEYNXBWLISHLH-FYGXEABWSA-N	-1	0	407.451	3.599	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000409229395	560698511	/nfs/dbraw/zinc/69/85/11/560698511.db2.gz	OLXBNDRDDKYYIP-CUJDEGIUSA-N	-1	0	411.801	3.779	40	10		HHCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000409250948	560702241	/nfs/dbraw/zinc/70/22/41/560702241.db2.gz	OZRPXIJGXYYGPM-XSFVSMFZSA-N	-1	0	419.481	3.660	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)[N-]C2=S)cc1	ZINC000409383256	560717468	/nfs/dbraw/zinc/71/74/68/560717468.db2.gz	SUPOSYPGKIAUQO-QGOAFFKASA-N	-1	0	424.522	3.876	40	10		HHCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000014133204	560838725	/nfs/dbraw/zinc/83/87/25/560838725.db2.gz	RXGHKQBVHGWJFP-XMHGGMMESA-N	-1	0	419.481	3.660	40	10		HHCBRM
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000222742248	568525231	/nfs/dbraw/zinc/52/52/31/568525231.db2.gz	VWUDCVPGEHQRIB-PMACEKPBSA-N	-1	0	406.511	3.790	40	10		HHCBRM
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000222742474	568525367	/nfs/dbraw/zinc/52/53/67/568525367.db2.gz	CZLYUQVQOBKOEY-VQTJNVASSA-N	-1	0	406.511	3.790	40	10		HHCBRM
CCOc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1NC(C)=O	ZINC000223262036	568543229	/nfs/dbraw/zinc/54/32/29/568543229.db2.gz	KQMZHZFMGURDBQ-UHFFFAOYSA-N	-1	0	417.512	3.968	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1ccc(F)cc1	ZINC000008495342	569360102	/nfs/dbraw/zinc/36/01/02/569360102.db2.gz	NUROXUTXYLAIGI-XSFVSMFZSA-N	-1	0	418.424	3.875	40	10		HHCBRM
O=C(Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)c1ccco1	ZINC000033628554	569360243	/nfs/dbraw/zinc/36/02/43/569360243.db2.gz	GEZRAXVQJFZRHP-VBKFSLOCSA-N	-1	0	408.797	3.614	40	10		HHCBRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000033698998	569360336	/nfs/dbraw/zinc/36/03/36/569360336.db2.gz	DXYYQAJAUHWQKV-MRACZJACSA-N	-1	0	415.920	3.812	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000034707131	569360622	/nfs/dbraw/zinc/36/06/22/569360622.db2.gz	UEDWPHFUAGTIHR-MOSHPQCFSA-N	-1	0	415.449	3.562	40	10		HHCBRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000034881357	569360650	/nfs/dbraw/zinc/36/06/50/569360650.db2.gz	IVQRVOUEKJOALO-ATTDUZETSA-N	-1	0	400.862	3.987	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033914317	569360673	/nfs/dbraw/zinc/36/06/73/569360673.db2.gz	WGPXLMVFQWAAHT-GPLLRDDGSA-N	-1	0	400.862	3.987	40	10		HHCBRM
CC(C)(C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000108215200	569361203	/nfs/dbraw/zinc/36/12/03/569361203.db2.gz	OEUCTKUDRWGMBJ-GDNBJRDFSA-N	-1	0	415.833	3.887	40	10		HHCBRM
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000001834433	960466812	/nfs/dbraw/zinc/46/68/12/960466812.db2.gz	PPFYHAIOGBIYBS-CXUHLZMHSA-N	-1	0	401.465	3.808	40	10		HHCBRM
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	ZINC000032107167	523716808	/nfs/dbraw/zinc/71/68/08/523716808.db2.gz	OKJIIXNCCUXFRS-YRNVUSSQSA-N	-1	0	420.175	3.549	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S	ZINC000001063044	557165065	/nfs/dbraw/zinc/16/50/65/557165065.db2.gz	KMCNDFPEDGPVEJ-SXGWCWSVSA-N	-1	0	403.456	3.691	40	10		HHCBRM
Cc1ccccc1Oc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547109	557370321	/nfs/dbraw/zinc/37/03/21/557370321.db2.gz	YCQQGBRASUMCFA-UYRXBGFRSA-N	-1	0	417.421	3.955	40	10		HHCBRM
Cc1ccc(F)cc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000408553101	557442468	/nfs/dbraw/zinc/44/24/68/557442468.db2.gz	XGNPRBGUTXXMPC-WQLSENKSSA-N	-1	0	407.829	3.670	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC	ZINC000005373717	557648268	/nfs/dbraw/zinc/64/82/68/557648268.db2.gz	ONNTXQSECPYIES-UOZYYELFSA-N	-1	0	409.529	3.794	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(C)C)cc3)C2=O)cc1	ZINC000408739433	557805414	/nfs/dbraw/zinc/80/54/14/557805414.db2.gz	BXKCDDSZUDTSOR-DEDYPNTBSA-N	-1	0	408.454	3.787	40	10		HHCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1	ZINC000408743223	557808225	/nfs/dbraw/zinc/80/82/25/557808225.db2.gz	VMGBPDKJRXIMBA-XNTDXEJSSA-N	-1	0	415.312	3.897	40	10		HHCBRM
CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1OC	ZINC000016712303	558801850	/nfs/dbraw/zinc/80/18/50/558801850.db2.gz	NFABKTUPJJQJHP-YYTPVVGHSA-N	-1	0	409.529	3.939	40	10		HHCBRM
CC[C@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[n-]c1=O	ZINC000064220073	558962410	/nfs/dbraw/zinc/96/24/10/558962410.db2.gz	YJDVJBBIKKKAST-KRWDZBQOSA-N	-1	0	407.518	3.545	40	10		HHCBRM
CCOc1ccc(N=Nc2c(C)[n-]n(C(=O)CC(=O)Nc3ccc(C)cc3)c2=O)cc1	ZINC000102971741	559153858	/nfs/dbraw/zinc/15/38/58/559153858.db2.gz	SPNIVWLVNYTIJT-JOWZZTKRSA-N	-1	0	421.457	3.620	40	10		HHCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005371592	560574322	/nfs/dbraw/zinc/57/43/22/560574322.db2.gz	CKOPVRIIUBFCOU-CMWXKVOJSA-N	-1	0	404.307	3.743	40	10		HHCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005373881	560574488	/nfs/dbraw/zinc/57/44/88/560574488.db2.gz	JOEKMCMKTOQUPK-TUDSDUBJSA-N	-1	0	404.307	3.743	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC	ZINC000408801792	560642564	/nfs/dbraw/zinc/64/25/64/560642564.db2.gz	BSOACBCFECRABW-SFQUDFHCSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OC	ZINC000408804110	560643107	/nfs/dbraw/zinc/64/31/07/560643107.db2.gz	VXKIODRAOFWBTK-RIYZIHGNSA-N	-1	0	414.845	3.640	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C	ZINC000408813840	560645064	/nfs/dbraw/zinc/64/50/64/560645064.db2.gz	VHBDYXQQSILPCJ-WOJGMQOQSA-N	-1	0	408.454	3.766	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1	ZINC000408843581	560646248	/nfs/dbraw/zinc/64/62/48/560646248.db2.gz	GDKCYXBGUUHIGS-HMMYKYKNSA-N	-1	0	401.422	3.542	40	10		HHCBRM
Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408902795	560652220	/nfs/dbraw/zinc/65/22/20/560652220.db2.gz	LJMDRDAYCQAXET-XSFVSMFZSA-N	-1	0	407.445	3.791	40	10		HHCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408902502	560652224	/nfs/dbraw/zinc/65/22/24/560652224.db2.gz	ORFUGMACIGEDLL-NTUHNPAUSA-N	-1	0	402.204	3.869	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)ccc1N1CCCCC1	ZINC000408909622	560652964	/nfs/dbraw/zinc/65/29/64/560652964.db2.gz	HQNXGBQWFOTXNK-CPNJWEJPSA-N	-1	0	407.445	3.791	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cccc1OC	ZINC000408914450	560653745	/nfs/dbraw/zinc/65/37/45/560653745.db2.gz	PWKWMMMGPBARIM-HNEYUBDGSA-N	-1	0	412.417	3.678	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1	ZINC000408952215	560656939	/nfs/dbraw/zinc/65/69/39/560656939.db2.gz	LLKJPPUKLXEHOO-XSFVSMFZSA-N	-1	0	415.449	3.769	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1C	ZINC000408960414	560657969	/nfs/dbraw/zinc/65/79/69/560657969.db2.gz	LMXWLJNQKYBZFS-KGENOOAVSA-N	-1	0	403.482	3.878	40	10		HHCBRM
Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408962295	560658420	/nfs/dbraw/zinc/65/84/20/560658420.db2.gz	YGIXFJVTQHRRSR-XDHOZWIPSA-N	-1	0	409.873	3.915	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1	ZINC000408983454	560661210	/nfs/dbraw/zinc/66/12/10/560661210.db2.gz	MFKBHCUYEUVIDE-DHDCSXOGSA-N	-1	0	414.845	3.586	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)c1C	ZINC000409124193	560680751	/nfs/dbraw/zinc/68/07/51/560680751.db2.gz	ADIPZTPOFGVNKF-GRHJKWIASA-N	-1	0	405.523	3.757	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)c1C	ZINC000409129634	560681616	/nfs/dbraw/zinc/68/16/16/560681616.db2.gz	VFFWUHRJMSXVKL-LDADJPATSA-N	-1	0	423.513	3.874	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2)C1=O	ZINC000409212562	560695753	/nfs/dbraw/zinc/69/57/53/560695753.db2.gz	NBHOPBKDEULOGG-GHRIWEEISA-N	-1	0	409.873	3.915	40	10		HHCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1	ZINC000409227617	560698197	/nfs/dbraw/zinc/69/81/97/560698197.db2.gz	QWERFIIVMZMYPP-LDADJPATSA-N	-1	0	410.495	3.659	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1	ZINC000409229628	560698549	/nfs/dbraw/zinc/69/85/49/560698549.db2.gz	SBAZJXIHNVDYMQ-RVDMUPIBSA-N	-1	0	417.918	3.919	40	10		HHCBRM
CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000409240313	560699952	/nfs/dbraw/zinc/69/99/52/560699952.db2.gz	SLDFSGHGZMHFIP-OWRQJNCQSA-N	-1	0	411.914	3.794	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1OCC	ZINC000409246559	560701511	/nfs/dbraw/zinc/70/15/11/560701511.db2.gz	CTYQMPFVRREMPF-FOWTUZBSSA-N	-1	0	410.495	3.624	40	10		HHCBRM
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000409410309	560721254	/nfs/dbraw/zinc/72/12/54/560721254.db2.gz	UZMXZDZGECNJNL-AOAKWNDQSA-N	-1	0	410.429	3.767	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C	ZINC000002221245	560730924	/nfs/dbraw/zinc/73/09/24/560730924.db2.gz	TXYAVTAGJAIFOI-XDHOZWIPSA-N	-1	0	403.438	3.658	40	10		HHCBRM
CCOc1cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000016916242	560861714	/nfs/dbraw/zinc/86/17/14/560861714.db2.gz	LDYHVWQIGCBOJU-LICLKQGHSA-N	-1	0	416.430	3.770	40	10		HHCBRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000218396951	568479782	/nfs/dbraw/zinc/47/97/82/568479782.db2.gz	UOYHPQFKRNPNQR-IAGOWNOFSA-N	-1	0	415.559	3.785	40	10		HHCBRM
CCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000001779377	569052610	/nfs/dbraw/zinc/05/26/10/569052610.db2.gz	JUTKGCDFJHMFPO-IEMQHYRPSA-N	-1	0	409.529	3.939	40	10		HHCBRM
COc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000210456236	569361569	/nfs/dbraw/zinc/36/15/69/569361569.db2.gz	FMJVZHIGNQRTAP-SXGWCWSVSA-N	-1	0	418.858	3.894	40	10		HHCBRM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O	ZINC000005866777	960792588	/nfs/dbraw/zinc/79/25/88/960792588.db2.gz	WSIMACRLKNRRHT-PGMHBOJBSA-N	-1	0	417.509	3.901	40	10		HHCBRM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1	ZINC000032099601	522083252	/nfs/dbraw/zinc/08/32/52/522083252.db2.gz	BJGBWQNQEDGWDT-PDGQHHTCSA-N	-1	0	422.824	3.848	40	10		HHCBRM
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002815586	557394940	/nfs/dbraw/zinc/39/49/40/557394940.db2.gz	XOFMBPFRUANQLW-PBSOMRJOSA-N	-1	0	415.492	3.953	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000002999980	557439841	/nfs/dbraw/zinc/43/98/41/557439841.db2.gz	LHPHSNLEEMIAGY-YVLHZVERSA-N	-1	0	415.492	3.873	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000005373671	557648325	/nfs/dbraw/zinc/64/83/25/557648325.db2.gz	HJLYFFKICRPBSM-SXGWCWSVSA-N	-1	0	401.465	3.895	40	10		HHCBRM
O=C1[N-]NC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000003066305	557794267	/nfs/dbraw/zinc/79/42/67/557794267.db2.gz	QRTBDEVRWUZRFP-CJLVFECKSA-N	-1	0	405.461	3.961	40	10		HHCBRM
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2)C(=O)[N-]C1=S	ZINC000408741807	557808916	/nfs/dbraw/zinc/80/89/16/557808916.db2.gz	NWXJFQACWZBOMD-GXDHUFHOSA-N	-1	0	401.285	3.589	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)[O-]	ZINC000009188450	557825850	/nfs/dbraw/zinc/82/58/50/557825850.db2.gz	ZNQLFNFPSZERTF-YVLHZVERSA-N	-1	0	415.492	3.873	40	10		HHCBRM
COc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000012273945	558363400	/nfs/dbraw/zinc/36/34/00/558363400.db2.gz	CUGTXKJHOOCVTP-PXNMLYILSA-N	-1	0	417.464	3.513	40	10		HHCBRM
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O	ZINC000038173630	558638721	/nfs/dbraw/zinc/63/87/21/558638721.db2.gz	PZQVPAFQTJPUDU-SDQBBNPISA-N	-1	0	406.822	3.865	40	10		HHCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O	ZINC000016195034	558777892	/nfs/dbraw/zinc/77/78/92/558777892.db2.gz	KNNPIEJBISTWKX-WMZJFQQLSA-N	-1	0	413.644	3.822	40	10		HHCBRM
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[n-]n2c1nc1ccccc1c2=O	ZINC000100962810	559142259	/nfs/dbraw/zinc/14/22/59/559142259.db2.gz	RXBAEKSWJQGOHF-LICLKQGHSA-N	-1	0	403.829	3.635	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccnc1	ZINC000408785909	560641489	/nfs/dbraw/zinc/64/14/89/560641489.db2.gz	JPBCCITWOUWSEU-UDWIEESQSA-N	-1	0	416.506	3.629	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccccc1Cc1cccc(F)c1	ZINC000408867598	560648599	/nfs/dbraw/zinc/64/85/99/560648599.db2.gz	KQVCVURZJRTRCX-KGENOOAVSA-N	-1	0	416.408	3.789	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408868874	560648697	/nfs/dbraw/zinc/64/86/97/560648697.db2.gz	PPWRMIPSDQCONU-LCYFTJDESA-N	-1	0	402.809	3.933	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1O	ZINC000408887807	560650263	/nfs/dbraw/zinc/65/02/63/560650263.db2.gz	RCRHTKLOMANNDY-LFYBBSHMSA-N	-1	0	421.236	3.682	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1	ZINC000408896649	560650844	/nfs/dbraw/zinc/65/08/44/560650844.db2.gz	GWLIDCDODPQUKV-GDNBJRDFSA-N	-1	0	400.818	3.501	40	10		HHCBRM
CC(=C\c1ccco1)/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408902252	560652197	/nfs/dbraw/zinc/65/21/97/560652197.db2.gz	GKHREBAIVHHOKZ-VMPIADEKSA-N	-1	0	401.216	3.655	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408950487	560656821	/nfs/dbraw/zinc/65/68/21/560656821.db2.gz	FMYPXGNCZSYFGZ-XSFVSMFZSA-N	-1	0	417.490	3.626	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000408967846	560659448	/nfs/dbraw/zinc/65/94/48/560659448.db2.gz	XNZPTYIDQWMHQV-LDADJPATSA-N	-1	0	407.813	3.503	40	10		HHCBRM
COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCC(=O)[O-]	ZINC000408976478	560660471	/nfs/dbraw/zinc/66/04/71/560660471.db2.gz	RMLGVIWSSVKUBP-LZYBPNLTSA-N	-1	0	400.818	3.618	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1	ZINC000409104909	560675621	/nfs/dbraw/zinc/67/56/21/560675621.db2.gz	KYRCCXYUQWVHJO-RVDMUPIBSA-N	-1	0	400.887	3.878	40	10		HHCBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000409100777	560677060	/nfs/dbraw/zinc/67/70/60/560677060.db2.gz	VDURBRKNDUUEIO-FMIVXFBMSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC	ZINC000409131239	560681897	/nfs/dbraw/zinc/68/18/97/560681897.db2.gz	MPWKHDYQKZDOPX-SFQUDFHCSA-N	-1	0	424.522	3.932	40	10		HHCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000409201469	560692973	/nfs/dbraw/zinc/69/29/73/560692973.db2.gz	NHRNVPDDASTEOH-NTEUORMPSA-N	-1	0	404.253	3.726	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	ZINC000409217648	560697580	/nfs/dbraw/zinc/69/75/80/560697580.db2.gz	RDNAUYCSFIIJEV-XYOKQWHBSA-N	-1	0	406.181	3.568	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)[N-]C2=S)c1	ZINC000409239960	560699789	/nfs/dbraw/zinc/69/97/89/560699789.db2.gz	OVXGHIBHTJXYAA-LDADJPATSA-N	-1	0	423.513	3.874	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccccc2C)C1=O	ZINC000409234167	560700929	/nfs/dbraw/zinc/70/09/29/560700929.db2.gz	MVHVYYHDGLJKTK-OBGWFSINSA-N	-1	0	415.449	3.851	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409247746	560701801	/nfs/dbraw/zinc/70/18/01/560701801.db2.gz	NOTHCBYFHMLICD-RVDMUPIBSA-N	-1	0	415.902	3.673	40	10		HHCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409252349	560703489	/nfs/dbraw/zinc/70/34/89/560703489.db2.gz	XJHTUMIJSOYQHJ-YBEGLDIGSA-N	-1	0	419.428	3.603	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000409389933	560720636	/nfs/dbraw/zinc/72/06/36/560720636.db2.gz	CYCPLGHQPYTRML-KGENOOAVSA-N	-1	0	422.444	3.751	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000002224316	560730941	/nfs/dbraw/zinc/73/09/41/560730941.db2.gz	KTJYMAUETRCRIG-UDWIEESQSA-N	-1	0	417.465	3.966	40	10		HHCBRM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000016906420	560861591	/nfs/dbraw/zinc/86/15/91/560861591.db2.gz	FGJGBJZTAIFDLK-GZTJUZNOSA-N	-1	0	415.492	3.955	40	10		HHCBRM
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005793543	568454044	/nfs/dbraw/zinc/45/40/44/568454044.db2.gz	HRLXEJZZCIFVET-KOZAUXTDSA-N	-1	0	405.516	3.879	40	10		HHCBRM
CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000225773855	568673369	/nfs/dbraw/zinc/67/33/69/568673369.db2.gz	FPUNATGJXAZBLG-XRQSXFTLSA-N	-1	0	417.527	3.901	40	10		HHCBRM
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O	ZINC000059135862	568701037	/nfs/dbraw/zinc/70/10/37/568701037.db2.gz	SVMFGOXWBUBGEU-UXBLZVDNSA-N	-1	0	406.822	3.865	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	ZINC000059198291	568702489	/nfs/dbraw/zinc/70/24/89/568702489.db2.gz	DDXHNZCEDAKRQV-RIYZIHGNSA-N	-1	0	416.187	3.864	40	10		HHCBRM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361134	569072274	/nfs/dbraw/zinc/07/22/74/569072274.db2.gz	MSWWHXLVKDCHBE-KMTKGMGQSA-N	-1	0	421.503	3.527	40	10		HHCBRM
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)c(C)c1	ZINC000033654932	569360313	/nfs/dbraw/zinc/36/03/13/569360313.db2.gz	HAZPKYWJKCFSIG-UYRXBGFRSA-N	-1	0	402.406	3.503	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000034839642	569360679	/nfs/dbraw/zinc/36/06/79/569360679.db2.gz	KLMVZMKOXICUSW-YUSFRKCESA-N	-1	0	415.833	3.887	40	10		HHCBRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000107611781	569361012	/nfs/dbraw/zinc/36/10/12/569361012.db2.gz	NTRCUWKMEWGLFQ-CDCQXCROSA-N	-1	0	415.833	3.887	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	ZINC000107824003	569361112	/nfs/dbraw/zinc/36/11/12/569361112.db2.gz	CVNSVYHMRISBBP-STZFKDTASA-N	-1	0	415.405	3.635	40	10		HHCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)s1	ZINC000001085298	132236865	/nfs/dbraw/zinc/23/68/65/132236865.db2.gz	QENSOHXQWLIDOX-MDWZMJQESA-N	-1	0	405.273	3.794	40	10		HHCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1	ZINC000001214455	132242834	/nfs/dbraw/zinc/24/28/34/132242834.db2.gz	QMIDVGNFCIFLTB-BOPFTXTBSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4ccccc43)C2=O)cc1	ZINC000408531661	557307145	/nfs/dbraw/zinc/30/71/45/557307145.db2.gz	LBSXPLKASXDVJP-XMHGGMMESA-N	-1	0	401.422	3.817	40	10		HHCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)(C)C	ZINC000035109026	557348596	/nfs/dbraw/zinc/34/85/96/557348596.db2.gz	SIEYNHNLICOJOO-WJDWOHSUSA-N	-1	0	400.862	3.987	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OC	ZINC000005371463	557647758	/nfs/dbraw/zinc/64/77/58/557647758.db2.gz	FIIIQTBZIMUXEH-ATTDUZETSA-N	-1	0	409.529	3.794	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009188521	557826057	/nfs/dbraw/zinc/82/60/57/557826057.db2.gz	AJQHIJXQZLYGOY-SXGWCWSVSA-N	-1	0	419.455	3.704	40	10		HHCBRM
CCOc1cc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)ccc1O	ZINC000012273946	558363456	/nfs/dbraw/zinc/36/34/56/558363456.db2.gz	FKULFNJSWXWXOS-PXNMLYILSA-N	-1	0	417.464	3.601	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1	ZINC000004456493	558590093	/nfs/dbraw/zinc/59/00/93/558590093.db2.gz	WGGXUYXGXVKTDA-QPEQYQDCSA-N	-1	0	421.236	3.677	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCC2)o1	ZINC000017092078	558820642	/nfs/dbraw/zinc/82/06/42/558820642.db2.gz	CAQKGVJDZNEJEX-RAXLEYEMSA-N	-1	0	420.252	3.853	40	10		HHCBRM
COc1ccc(C)cc1N=Nc1c(C)[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c1=O	ZINC000104236509	559159426	/nfs/dbraw/zinc/15/94/26/559159426.db2.gz	ZXLDYHNALILNBH-VHAJSEAWSA-N	-1	0	421.457	3.538	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1coc2ccc(O)cc2c1=O	ZINC000033531284	559207106	/nfs/dbraw/zinc/20/71/06/559207106.db2.gz	TXRGBSYDSYHVJO-CHHVJCJISA-N	-1	0	410.769	3.659	40	10		HHCBRM
COc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1	ZINC000408760745	559276092	/nfs/dbraw/zinc/27/60/92/559276092.db2.gz	FIAAVMMTHXNUCM-KGENOOAVSA-N	-1	0	414.417	3.934	40	10		HHCBRM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000000847537	559288666	/nfs/dbraw/zinc/28/86/66/559288666.db2.gz	MHTPQYOARNKFMK-XNTDXEJSSA-N	-1	0	421.678	3.963	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1	ZINC000408772241	560639168	/nfs/dbraw/zinc/63/91/68/560639168.db2.gz	FPLXKLDQSQNAMI-UDWIEESQSA-N	-1	0	403.413	3.900	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408803312	560642977	/nfs/dbraw/zinc/64/29/77/560642977.db2.gz	NNXSIFSUAYKNNZ-XDHOZWIPSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OC	ZINC000408810765	560643996	/nfs/dbraw/zinc/64/39/96/560643996.db2.gz	MUEKREYYKSGLRT-RIYZIHGNSA-N	-1	0	414.845	3.640	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	ZINC000408813670	560644961	/nfs/dbraw/zinc/64/49/61/560644961.db2.gz	NTANFNMCNGXHSK-GXDHUFHOSA-N	-1	0	414.845	3.722	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)c(C)c2)C(=O)[N-]C1=S	ZINC000408857349	560647387	/nfs/dbraw/zinc/64/73/87/560647387.db2.gz	NVMCIHAXCNQHGX-JXAWBTAJSA-N	-1	0	405.523	3.735	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OC	ZINC000408870136	560648832	/nfs/dbraw/zinc/64/88/32/560648832.db2.gz	VENHHKHGRNKVDZ-WQLSENKSSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408873486	560649038	/nfs/dbraw/zinc/64/90/38/560649038.db2.gz	UTHWLJFVIQEMPI-MHWRWJLKSA-N	-1	0	415.243	3.514	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1O	ZINC000408893309	560651040	/nfs/dbraw/zinc/65/10/40/560651040.db2.gz	DRWVBOXZHPXXKY-RIYZIHGNSA-N	-1	0	414.845	3.728	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC)C2=O)cc1	ZINC000408899282	560651067	/nfs/dbraw/zinc/65/10/67/560651067.db2.gz	NYBJXXSOXPXLGJ-CYVLTUHYSA-N	-1	0	408.454	3.931	40	10		HHCBRM
COc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	ZINC000408898340	560651701	/nfs/dbraw/zinc/65/17/01/560651701.db2.gz	LHPUAWGTMTXFNI-OVCLIPMQSA-N	-1	0	414.845	3.640	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	ZINC000408960650	560657606	/nfs/dbraw/zinc/65/76/06/560657606.db2.gz	NLLMUPRBXDNGFK-LTGZKZEYSA-N	-1	0	419.481	3.742	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000408960030	560657648	/nfs/dbraw/zinc/65/76/48/560657648.db2.gz	IEIGGVQSHMFXAA-XMHGGMMESA-N	-1	0	405.523	3.735	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000408961396	560658187	/nfs/dbraw/zinc/65/81/87/560658187.db2.gz	SNDXMPQMPOHWDE-HMMYKYKNSA-N	-1	0	405.523	3.681	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cn1	ZINC000408961811	560658345	/nfs/dbraw/zinc/65/83/45/560658345.db2.gz	OAMUDKAKCZKNAR-YBFXNURJSA-N	-1	0	418.428	3.603	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OC)c2OC(C)C)C1=O	ZINC000409014889	560666283	/nfs/dbraw/zinc/66/62/83/560666283.db2.gz	QPBQBDREIHHDJR-GHRIWEEISA-N	-1	0	408.454	3.711	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1	ZINC000409129747	560681612	/nfs/dbraw/zinc/68/16/12/560681612.db2.gz	UPXVPJBMYDXVSU-RGEXLXHISA-N	-1	0	407.539	3.981	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000409216474	560697314	/nfs/dbraw/zinc/69/73/14/560697314.db2.gz	LMMKULLVCJDGGE-KPKJPENVSA-N	-1	0	406.181	3.568	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000409230667	560700188	/nfs/dbraw/zinc/70/01/88/560700188.db2.gz	FFDNJTPGGAWZEU-DTQAZKPQSA-N	-1	0	407.882	3.962	40	10		HHCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000409250117	560702113	/nfs/dbraw/zinc/70/21/13/560702113.db2.gz	WCENJJOSJPRWKQ-XNTDXEJSSA-N	-1	0	420.412	3.935	40	10		HHCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409394052	560719585	/nfs/dbraw/zinc/71/95/85/560719585.db2.gz	UYDGAXBXCHAAEQ-SFQUDFHCSA-N	-1	0	405.435	3.801	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1	ZINC000409396176	560721165	/nfs/dbraw/zinc/72/11/65/560721165.db2.gz	WWNFNMOOQQVBNY-XMHGGMMESA-N	-1	0	401.447	3.899	40	10		HHCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000001178131	560727568	/nfs/dbraw/zinc/72/75/68/560727568.db2.gz	MJWFJHPMYDZYEC-SFQUDFHCSA-N	-1	0	409.398	3.649	40	10		HHCBRM
COc1cc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	ZINC000033319633	568696764	/nfs/dbraw/zinc/69/67/64/568696764.db2.gz	XRPJCUSVAHJIOV-XNTDXEJSSA-N	-1	0	416.817	3.873	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCCCCC2)o1	ZINC000059105073	568700501	/nfs/dbraw/zinc/70/05/01/568700501.db2.gz	HJCRVGCWGXTGFO-FOWTUZBSSA-N	-1	0	423.425	3.895	40	10		HHCBRM
O=S(=O)([N-]c1ccccc1C1=NCCc2ccccc21)c1cccc2nsnc21	ZINC000003109197	568856119	/nfs/dbraw/zinc/85/61/19/568856119.db2.gz	NCERKRZMVSTYOM-UHFFFAOYSA-N	-1	0	420.519	3.886	40	10		HHCBRM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(Cl)cc1OC(C)C	ZINC000002798981	568932275	/nfs/dbraw/zinc/93/22/75/568932275.db2.gz	MRYKLJBUCQTZPV-MKMNVTDBSA-N	-1	0	415.920	3.812	40	10		HHCBRM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S	ZINC000054361102	569072341	/nfs/dbraw/zinc/07/23/41/569072341.db2.gz	YZESAYPDGUCDEM-NMGOYGNESA-N	-1	0	421.565	3.801	40	10		HHCBRM
O=C([O-])c1cc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)ccc1O	ZINC000016929506	569267691	/nfs/dbraw/zinc/26/76/91/569267691.db2.gz	WQVLIUDTROOPOU-IUXPMGMMSA-N	-1	0	411.460	3.815	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1	ZINC000108023815	569353321	/nfs/dbraw/zinc/35/33/21/569353321.db2.gz	FZYPRUNVBWAUHB-UDWIEESQSA-N	-1	0	420.396	3.660	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1	ZINC000108220697	569361284	/nfs/dbraw/zinc/36/12/84/569361284.db2.gz	LHZSVRWPHPWCJP-LDADJPATSA-N	-1	0	423.513	3.874	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000108926915	569361302	/nfs/dbraw/zinc/36/13/02/569361302.db2.gz	HINOVCMHBOLYRO-MOSHPQCFSA-N	-1	0	415.449	3.562	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000009262466	132337796	/nfs/dbraw/zinc/33/77/96/132337796.db2.gz	XVOKOBVFMBKZKJ-PDGQHHTCSA-N	-1	0	423.513	3.874	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(C)=O	ZINC000034864732	557020910	/nfs/dbraw/zinc/02/09/10/557020910.db2.gz	MCBGBSCNYZBUIQ-UVTDQMKNSA-N	-1	0	412.373	3.656	40	10		HHCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S	ZINC000005371469	557647783	/nfs/dbraw/zinc/64/77/83/557647783.db2.gz	DSLUZHGVHUPZTL-YYTPVVGHSA-N	-1	0	409.529	3.939	40	10		HHCBRM
COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000016226483	558779589	/nfs/dbraw/zinc/77/95/89/558779589.db2.gz	SCVXARVXEVFSGK-ZSOIEALJSA-N	-1	0	401.762	3.764	40	10		HHCBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cccnc21	ZINC000018181590	558832908	/nfs/dbraw/zinc/83/29/08/558832908.db2.gz	HFVBFGGESMZQHZ-WCWDXBQESA-N	-1	0	406.427	3.947	40	10		HHCBRM
CCN(CC)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)[O-])N2C(C)=O)cc1	ZINC000055112346	558873089	/nfs/dbraw/zinc/87/30/89/558873089.db2.gz	XOWSUJVGLNYDSE-JTHBVZDNSA-N	-1	0	405.498	3.961	40	10		HHCBRM
Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000016249729	559078625	/nfs/dbraw/zinc/07/86/25/559078625.db2.gz	JJOVXGFBLFFHOQ-YBEGLDIGSA-N	-1	0	424.254	3.905	40	10		HHCBRM
O=C([O-])c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000040940242	559133813	/nfs/dbraw/zinc/13/38/13/559133813.db2.gz	BKBGVRVCTDKZQP-ZROIWOOFSA-N	-1	0	418.883	3.584	40	10		HHCBRM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000100929794	559141864	/nfs/dbraw/zinc/14/18/64/559141864.db2.gz	GECHTFRVUIZVIP-ZROIWOOFSA-N	-1	0	400.778	3.665	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O	ZINC000408773691	560639373	/nfs/dbraw/zinc/63/93/73/560639373.db2.gz	IUBLQLWFYAGQLH-NTUHNPAUSA-N	-1	0	421.236	3.764	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccnc1	ZINC000408775414	560639496	/nfs/dbraw/zinc/63/94/96/560639496.db2.gz	SNQNGHNLXGVGCL-CIAFOILYSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408781984	560641140	/nfs/dbraw/zinc/64/11/40/560641140.db2.gz	UYCOJVZKAXKTBC-FMIVXFBMSA-N	-1	0	404.850	3.709	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl	ZINC000408802954	560642838	/nfs/dbraw/zinc/64/28/38/560642838.db2.gz	JOLSBAPMVYZWOC-XYOKQWHBSA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000408804527	560643110	/nfs/dbraw/zinc/64/31/10/560643110.db2.gz	ARTDHIDSELWUIK-CPNJWEJPSA-N	-1	0	424.453	3.549	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC)C2=O)cc1	ZINC000408818852	560644935	/nfs/dbraw/zinc/64/49/35/560644935.db2.gz	YOIYCTRAZVUZIQ-SFQUDFHCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1	ZINC000408856703	560647302	/nfs/dbraw/zinc/64/73/02/560647302.db2.gz	LEIHMFMCMIEBAY-GZTJUZNOSA-N	-1	0	419.437	3.632	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000408881449	560649858	/nfs/dbraw/zinc/64/98/58/560649858.db2.gz	MGTVWMKKSIPDHO-PTNGSMBKSA-N	-1	0	400.887	3.960	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC	ZINC000408883368	560650041	/nfs/dbraw/zinc/65/00/41/560650041.db2.gz	UDAFVPAJOBBWSS-LGMDPLHJSA-N	-1	0	410.495	3.705	40	10		HHCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)[O-])c(Br)c1	ZINC000408903526	560652417	/nfs/dbraw/zinc/65/24/17/560652417.db2.gz	ZCYPQGZDBUTYDM-OQLLNIDSSA-N	-1	0	415.243	3.719	40	10		HHCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1C	ZINC000408961890	560658382	/nfs/dbraw/zinc/65/83/82/560658382.db2.gz	VHLUZHDNXGFAEX-HMMYKYKNSA-N	-1	0	403.482	3.960	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)cc1	ZINC000408986968	560661775	/nfs/dbraw/zinc/66/17/75/560661775.db2.gz	NXSRILWUVHQXCI-LCYFTJDESA-N	-1	0	405.273	3.739	40	10		HHCBRM
COc1ccc2ccc(OC)c(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2c1	ZINC000409004103	560665070	/nfs/dbraw/zinc/66/50/70/560665070.db2.gz	OBINZRWCPVJLFA-UYRXBGFRSA-N	-1	0	402.406	3.523	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c1OC(C)C	ZINC000409009426	560665163	/nfs/dbraw/zinc/66/51/63/560665163.db2.gz	FPMAOHRTLUBHEU-SFQUDFHCSA-N	-1	0	424.522	3.931	40	10		HHCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c1C	ZINC000409103764	560675517	/nfs/dbraw/zinc/67/55/17/560675517.db2.gz	FSXSREAPWIGLAM-XNTDXEJSSA-N	-1	0	401.919	3.918	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000409101926	560677249	/nfs/dbraw/zinc/67/72/49/560677249.db2.gz	ZPCNIJICASFBPP-DHZHZOJOSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OCC	ZINC000409130564	560681731	/nfs/dbraw/zinc/68/17/31/560681731.db2.gz	WKWNFADICZERHP-SFQUDFHCSA-N	-1	0	424.522	3.932	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC	ZINC000409239474	560699797	/nfs/dbraw/zinc/69/97/97/560699797.db2.gz	NAKKWWRFIJLNDP-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000409246115	560701508	/nfs/dbraw/zinc/70/15/08/560701508.db2.gz	FDHWNGOKDFTRNS-XMHGGMMESA-N	-1	0	421.522	3.517	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(CC)CC)cc2)C1=O	ZINC000409246344	560701534	/nfs/dbraw/zinc/70/15/34/560701534.db2.gz	BIDWIQKNVNDYLJ-SDXDJHTJSA-N	-1	0	407.470	3.598	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)[N-]C1=S	ZINC000409241487	560702359	/nfs/dbraw/zinc/70/23/59/560702359.db2.gz	XWDBZYZFXLPGKX-SAPNQHFASA-N	-1	0	409.511	3.800	40	10		HHCBRM
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000409345892	560714724	/nfs/dbraw/zinc/71/47/24/560714724.db2.gz	MAXRDPZZDPBWBA-GZTJUZNOSA-N	-1	0	414.508	3.622	40	10		HHCBRM
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)c2C)cc1	ZINC000409389413	560720455	/nfs/dbraw/zinc/72/04/55/560720455.db2.gz	AYMCEERXBSKVIJ-KGENOOAVSA-N	-1	0	414.465	3.718	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC	ZINC000006354881	560741268	/nfs/dbraw/zinc/74/12/68/560741268.db2.gz	DVDPHBPOXXGECG-NTEUORMPSA-N	-1	0	414.845	3.722	40	10		HHCBRM
COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(=O)[O-])SC1=S	ZINC000016909806	560861594	/nfs/dbraw/zinc/86/15/94/560861594.db2.gz	YPXAPHSUPSQAFA-MHWRWJLKSA-N	-1	0	401.465	3.564	40	10		HHCBRM
CCCCCCN1c2ccccc2/C(=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)C1=O	ZINC000026510002	560891049	/nfs/dbraw/zinc/89/10/49/560891049.db2.gz	SMPXSDQEEBMCBW-SUQMRRJOSA-N	-1	0	418.540	3.658	40	10		HHCBRM
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000222742796	568525369	/nfs/dbraw/zinc/52/53/69/568525369.db2.gz	UJVADDUXFPNPMR-PMACEKPBSA-N	-1	0	406.511	3.790	40	10		HHCBRM
CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N(c2ccccc2)C1=O	ZINC000059138887	568701760	/nfs/dbraw/zinc/70/17/60/568701760.db2.gz	AJNJZVRTJFPTAS-QGOAFFKASA-N	-1	0	416.389	3.653	40	10		HHCBRM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361178	569072425	/nfs/dbraw/zinc/07/24/25/569072425.db2.gz	YJZNTHIWVCUTIH-RNIVLKNTSA-N	-1	0	407.476	3.657	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1	ZINC000107932080	569353207	/nfs/dbraw/zinc/35/32/07/569353207.db2.gz	GSOJFOQCVUJWLQ-XDHOZWIPSA-N	-1	0	420.396	3.660	40	10		HHCBRM
CSc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000109083033	569353755	/nfs/dbraw/zinc/35/37/55/569353755.db2.gz	GSUAEAJBVTVUCJ-LUAWRHEFSA-N	-1	0	421.906	3.945	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1	ZINC000006225241	569359841	/nfs/dbraw/zinc/35/98/41/569359841.db2.gz	HEOIWMHDIURZII-RGQKVHTQSA-N	-1	0	405.523	3.703	40	10		HHCBRM
C=CCOc1c(CC=C)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC	ZINC000033737687	569360437	/nfs/dbraw/zinc/36/04/37/569360437.db2.gz	VGGJGCZRABSXLM-HKWRFOASSA-N	-1	0	404.466	3.840	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1	ZINC000001202586	132242095	/nfs/dbraw/zinc/24/20/95/132242095.db2.gz	KCZLJRJKWZOCCG-LDADJPATSA-N	-1	0	406.369	3.761	40	10		HHCBRM
N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(N3CCCCC3)=NN21	ZINC000041084688	526835692	/nfs/dbraw/zinc/83/56/92/526835692.db2.gz	LKTWVOKTTSQEOQ-YGBCANGESA-N	-1	0	424.313	3.762	40	10		HHCBRM
COc1cccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC	ZINC000002261800	557332429	/nfs/dbraw/zinc/33/24/29/557332429.db2.gz	QYWQXPOZJRDZBW-XNTDXEJSSA-N	-1	0	401.465	3.808	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Nc2ccccc2)cc1	ZINC000408547055	557369970	/nfs/dbraw/zinc/36/99/70/557369970.db2.gz	HVNBQHNNJLIPDE-UYRXBGFRSA-N	-1	0	402.410	3.598	40	10		HHCBRM
CC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000003864255	557501571	/nfs/dbraw/zinc/50/15/71/557501571.db2.gz	XXEHSBZPOHEQAK-WYEAJDFLSA-N	-1	0	403.500	3.511	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1C[C@@H](C)CC2	ZINC000004513277	557562261	/nfs/dbraw/zinc/56/22/61/557562261.db2.gz	HCYWBISQVXIIPQ-DCRFOKDXSA-N	-1	0	417.527	3.901	40	10		HHCBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000005474380	557655946	/nfs/dbraw/zinc/65/59/46/557655946.db2.gz	HPQJZEGVAFMCBV-DHDCSXOGSA-N	-1	0	405.237	3.632	40	10		HHCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C	ZINC000006952073	557731235	/nfs/dbraw/zinc/73/12/35/557731235.db2.gz	YOPPIZVXYYLVPN-MFOYZWKCSA-N	-1	0	400.862	3.845	40	10		HHCBRM
CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000013517445	558536331	/nfs/dbraw/zinc/53/63/31/558536331.db2.gz	ANGUDMWXEAAKLO-ZHZULCJRSA-N	-1	0	416.433	3.914	40	10		HHCBRM
CCN(CC)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)[O-])N2C(C)=O)cc1	ZINC000055112350	558872956	/nfs/dbraw/zinc/87/29/56/558872956.db2.gz	XOWSUJVGLNYDSE-GMAHTHKFSA-N	-1	0	405.498	3.961	40	10		HHCBRM
CCN(CC)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)[O-])N2C(C)=O)cc1	ZINC000055112344	558873076	/nfs/dbraw/zinc/87/30/76/558873076.db2.gz	XOWSUJVGLNYDSE-GGAORHGYSA-N	-1	0	405.498	3.961	40	10		HHCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)ccc1Br	ZINC000408758276	558885470	/nfs/dbraw/zinc/88/54/70/558885470.db2.gz	ICOFPKFIJKUOKB-ZCPHBQKFSA-N	-1	0	411.255	3.980	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccccc1O	ZINC000408773193	560639252	/nfs/dbraw/zinc/63/92/52/560639252.db2.gz	TYLIHDRTRPUFGM-YRNVUSSQSA-N	-1	0	410.735	3.731	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC	ZINC000408804455	560643103	/nfs/dbraw/zinc/64/31/03/560643103.db2.gz	GGGIJFRMZUNDDT-YRNVUSSQSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1	ZINC000408809119	560643828	/nfs/dbraw/zinc/64/38/28/560643828.db2.gz	JZPIWTUCSMZJER-XDHOZWIPSA-N	-1	0	408.454	3.711	40	10		HHCBRM
COc1ccccc1C1=N/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1c1ccc(O)cc1	ZINC000408845270	560646481	/nfs/dbraw/zinc/64/64/81/560646481.db2.gz	VNXBXKKSCVOCCT-XSFVSMFZSA-N	-1	0	414.417	3.934	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)c1	ZINC000408845742	560646499	/nfs/dbraw/zinc/64/64/99/560646499.db2.gz	HFSNHOLJAJCFCS-ZHZULCJRSA-N	-1	0	419.481	3.660	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1O	ZINC000408859746	560648059	/nfs/dbraw/zinc/64/80/59/560648059.db2.gz	YSMZOOIROFAHAP-JXMROGBWSA-N	-1	0	423.277	3.539	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OC(C)C	ZINC000408866924	560648458	/nfs/dbraw/zinc/64/84/58/560648458.db2.gz	JDFCYHPNQAPTDY-ATVHPVEESA-N	-1	0	410.495	3.704	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(OCC)c3)C2=O)cc1	ZINC000408870666	560648823	/nfs/dbraw/zinc/64/88/23/560648823.db2.gz	WJAHOSLIKCZNLM-WOJGMQOQSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2OC(C)C)C1=O	ZINC000408884878	560649938	/nfs/dbraw/zinc/64/99/38/560649938.db2.gz	VVYDWWWPGGYBLO-PDGQHHTCSA-N	-1	0	408.454	3.711	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cs3)C2=O)c1	ZINC000408901522	560651437	/nfs/dbraw/zinc/65/14/37/560651437.db2.gz	YLZYBVPZZYYHOQ-VGOFMYFVSA-N	-1	0	405.273	3.794	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000408898798	560651745	/nfs/dbraw/zinc/65/17/45/560651745.db2.gz	MSDMERYYDQRTIJ-AQTBWJFISA-N	-1	0	424.453	3.549	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000408961389	560658156	/nfs/dbraw/zinc/65/81/56/560658156.db2.gz	SKKQVFCZQLLYBC-HMMYKYKNSA-N	-1	0	405.523	3.817	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408965962	560659132	/nfs/dbraw/zinc/65/91/32/560659132.db2.gz	KLSLAGXACYYUGS-JLHYYAGUSA-N	-1	0	421.881	3.750	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	ZINC000408966988	560659315	/nfs/dbraw/zinc/65/93/15/560659315.db2.gz	RLJWUJDWOJKPLW-XYOKQWHBSA-N	-1	0	423.625	3.908	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1C	ZINC000409075761	560672959	/nfs/dbraw/zinc/67/29/59/560672959.db2.gz	XRZIZQBYDPGAOR-SFQUDFHCSA-N	-1	0	423.513	3.874	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000409102745	560677488	/nfs/dbraw/zinc/67/74/88/560677488.db2.gz	ZVFZGNXCECWYFH-QGOAFFKASA-N	-1	0	423.513	3.820	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c2ccccc12	ZINC000409167090	560686315	/nfs/dbraw/zinc/68/63/15/560686315.db2.gz	JHSUCEQECKEMSV-GHRIWEEISA-N	-1	0	418.474	3.688	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1C	ZINC000409236666	560699108	/nfs/dbraw/zinc/69/91/08/560699108.db2.gz	SWHICSRIBWSHCH-LDADJPATSA-N	-1	0	424.522	3.967	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)[N-]C1=S	ZINC000409237466	560699420	/nfs/dbraw/zinc/69/94/20/560699420.db2.gz	URUWRSPVGDWGIH-SFQUDFHCSA-N	-1	0	409.486	3.566	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccc(N(C)C)cc2)C1=O	ZINC000409230077	560700048	/nfs/dbraw/zinc/70/00/48/560700048.db2.gz	BECQJQRUMWPHOX-BHAVQNJHSA-N	-1	0	409.873	3.937	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000409231042	560700338	/nfs/dbraw/zinc/70/03/38/560700338.db2.gz	HWEGBZQIYYKMHG-ODLFYWEKSA-N	-1	0	420.856	3.809	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1Cl	ZINC000409235731	560701169	/nfs/dbraw/zinc/70/11/69/560701169.db2.gz	DISDZKNKECNGJP-WUXMJOGZSA-N	-1	0	407.278	3.839	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(OCC)c1	ZINC000409246316	560701520	/nfs/dbraw/zinc/70/15/20/560701520.db2.gz	AWZQVYJXRSWOGS-LDADJPATSA-N	-1	0	424.522	3.932	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1	ZINC000409241646	560702446	/nfs/dbraw/zinc/70/24/46/560702446.db2.gz	KZPWJCIHUGXLKF-WOJGMQOQSA-N	-1	0	420.856	3.809	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000409394160	560719632	/nfs/dbraw/zinc/71/96/32/560719632.db2.gz	WQBLKLXIDYAZND-YBFXNURJSA-N	-1	0	420.856	3.809	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S	ZINC000005769463	560738546	/nfs/dbraw/zinc/73/85/46/560738546.db2.gz	MDJAFUGWILULBA-CXUHLZMHSA-N	-1	0	403.456	3.691	40	10		HHCBRM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccc(Cl)cc4)cs3)ccc21	ZINC000223282727	568544088	/nfs/dbraw/zinc/54/40/88/568544088.db2.gz	BLHAMKHJMPXTGC-UHFFFAOYSA-N	-1	0	421.887	3.709	40	10		HHCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000033316822	568696588	/nfs/dbraw/zinc/69/65/88/568696588.db2.gz	YJEAPFWLHGWJPO-SFQUDFHCSA-N	-1	0	409.398	3.649	40	10		HHCBRM
CCOc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000059138541	568701369	/nfs/dbraw/zinc/70/13/69/568701369.db2.gz	QQESVOMGZJSTIL-GHRIWEEISA-N	-1	0	411.483	3.950	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([C@H](C)CC)cc3)C2=O)ccc1O	ZINC000002236597	569321951	/nfs/dbraw/zinc/32/19/51/569321951.db2.gz	HHBWYUJXLBEUPU-CRRKTRLDSA-N	-1	0	408.454	3.971	40	10		HHCBRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000034881355	569360565	/nfs/dbraw/zinc/36/05/65/569360565.db2.gz	IVQRVOUEKJOALO-YDRQLGOLSA-N	-1	0	400.862	3.987	40	10		HHCBRM
CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000012411690	132359627	/nfs/dbraw/zinc/35/96/27/132359627.db2.gz	QWKAYOZMWXROHL-XMHGGMMESA-N	-1	0	407.470	3.598	40	10		HHCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000408529209	557294662	/nfs/dbraw/zinc/29/46/62/557294662.db2.gz	HFUQFBHWYIOLGN-XNTDXEJSSA-N	-1	0	414.259	3.645	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(Br)c2)C1=O	ZINC000408536276	557329116	/nfs/dbraw/zinc/32/91/16/557329116.db2.gz	VRMFGRCJUCENCH-RVDMUPIBSA-N	-1	0	414.259	3.590	40	10		HHCBRM
Cc1c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	ZINC000408588050	557491692	/nfs/dbraw/zinc/49/16/92/557491692.db2.gz	BDIKPBCODSRMKE-VCHYOVAHSA-N	-1	0	423.856	3.629	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000005373661	557648331	/nfs/dbraw/zinc/64/83/31/557648331.db2.gz	QNPLUVKIXIEELT-XIDKLXSXSA-N	-1	0	413.520	3.982	40	10		HHCBRM
CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c2c1C(=O)c1ccccc1C2=O	ZINC000005488283	557657304	/nfs/dbraw/zinc/65/73/04/557657304.db2.gz	XPKVNPZDTLYFGX-UHFFFAOYSA-N	-1	0	422.462	3.802	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000012273975	558363622	/nfs/dbraw/zinc/36/36/22/558363622.db2.gz	PYTPEDDBMSKKJX-AWNIVKPZSA-N	-1	0	424.843	3.794	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408797862	560642054	/nfs/dbraw/zinc/64/20/54/560642054.db2.gz	HDBYLDRBTNTVIC-RIYZIHGNSA-N	-1	0	405.237	3.977	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC	ZINC000408803768	560642949	/nfs/dbraw/zinc/64/29/49/560642949.db2.gz	AGNNKLYEEWUHPR-OVCLIPMQSA-N	-1	0	414.845	3.640	40	10		HHCBRM
Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1C	ZINC000408817258	560644657	/nfs/dbraw/zinc/64/46/57/560644657.db2.gz	VNGVAIODNFEPOE-XDHOZWIPSA-N	-1	0	403.507	3.935	40	10		HHCBRM
Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1C	ZINC000408818666	560644930	/nfs/dbraw/zinc/64/49/30/560644930.db2.gz	YJGMGJIWDZJSKU-XDHOZWIPSA-N	-1	0	403.507	3.935	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	ZINC000408819571	560645274	/nfs/dbraw/zinc/64/52/74/560645274.db2.gz	XURDAZMBHXUART-NTUHNPAUSA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408868783	560648726	/nfs/dbraw/zinc/64/87/26/560648726.db2.gz	ORUDQKONULIOEB-KAMYIIQDSA-N	-1	0	402.809	3.934	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC	ZINC000408869949	560648794	/nfs/dbraw/zinc/64/87/94/560648794.db2.gz	RHZSOSDTYNNGRP-ZROIWOOFSA-N	-1	0	416.886	3.579	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl	ZINC000408876579	560649499	/nfs/dbraw/zinc/64/94/99/560649499.db2.gz	QENYOFSUMRWVPM-UHFFFAOYSA-N	-1	0	419.264	3.732	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1	ZINC000408899670	560651088	/nfs/dbraw/zinc/65/10/88/560651088.db2.gz	PTICCNNVODWXKJ-UYRXBGFRSA-N	-1	0	424.453	3.549	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(OC)cc3)C2=O)cc1	ZINC000408952210	560656937	/nfs/dbraw/zinc/65/69/37/560656937.db2.gz	LKLPTRVDJVKQIJ-RCCKNPSSSA-N	-1	0	415.449	3.715	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)c1	ZINC000408960597	560657927	/nfs/dbraw/zinc/65/79/27/560657927.db2.gz	NCOZTYMIVUGCFL-KGENOOAVSA-N	-1	0	403.482	3.878	40	10		HHCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1	ZINC000408961684	560658355	/nfs/dbraw/zinc/65/83/55/560658355.db2.gz	UOKOERNPPOSQMV-RCCKNPSSSA-N	-1	0	419.481	3.660	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408962657	560658551	/nfs/dbraw/zinc/65/85/51/560658551.db2.gz	IZXVXWGVDCSPNV-KPKJPENVSA-N	-1	0	406.181	3.568	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)cc1C	ZINC000409072099	560673398	/nfs/dbraw/zinc/67/33/98/560673398.db2.gz	BEJHLFHYQQTBLK-LDADJPATSA-N	-1	0	407.445	3.709	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1	ZINC000409111707	560677985	/nfs/dbraw/zinc/67/79/85/560677985.db2.gz	BUJOECJUJSKMKR-XYOKQWHBSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	ZINC000409130750	560681708	/nfs/dbraw/zinc/68/17/08/560681708.db2.gz	UPPSTUONTPLGTB-LFIBNONCSA-N	-1	0	410.495	3.542	40	10		HHCBRM
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409201706	560693141	/nfs/dbraw/zinc/69/31/41/560693141.db2.gz	PEYSKBTZNDSSQP-DHDCSXOGSA-N	-1	0	419.484	3.655	40	10		HHCBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)o1	ZINC000409206080	560694372	/nfs/dbraw/zinc/69/43/72/560694372.db2.gz	HIZXOQNJCIJSJF-BOPFTXTBSA-N	-1	0	409.398	3.568	40	10		HHCBRM
CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409209533	560694468	/nfs/dbraw/zinc/69/44/68/560694468.db2.gz	GGRYJFLXTKCPIZ-WJDWOHSUSA-N	-1	0	415.492	3.955	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000409226302	560698175	/nfs/dbraw/zinc/69/81/75/560698175.db2.gz	MSUVRHOZPRDOAH-GHRIWEEISA-N	-1	0	423.513	3.956	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409231615	560700388	/nfs/dbraw/zinc/70/03/88/560700388.db2.gz	DDIYGECZYDIWMN-UNKWGXRISA-N	-1	0	407.451	3.599	40	10		HHCBRM
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000409383201	560717477	/nfs/dbraw/zinc/71/74/77/560717477.db2.gz	SJZBRPWYNVTYSY-WQRHYEAKSA-N	-1	0	409.463	3.984	40	10		HHCBRM
COc1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000016915519	560861676	/nfs/dbraw/zinc/86/16/76/560861676.db2.gz	FMJVZHIGNQRTAP-CXUHLZMHSA-N	-1	0	418.858	3.894	40	10		HHCBRM
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC	ZINC000033330524	568696925	/nfs/dbraw/zinc/69/69/25/568696925.db2.gz	MIDSIKVVOMRONS-XYOKQWHBSA-N	-1	0	416.430	3.523	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)SC1=S	ZINC000096462665	568721640	/nfs/dbraw/zinc/72/16/40/568721640.db2.gz	JZKDWZXUMZSSBS-MDWZMJQESA-N	-1	0	423.313	3.526	40	10		HHCBRM
COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1	ZINC000005260067	569255608	/nfs/dbraw/zinc/25/56/08/569255608.db2.gz	FOAWJDISHPCSHG-UHFFFAOYSA-N	-1	0	412.423	3.635	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000033914318	569360654	/nfs/dbraw/zinc/36/06/54/569360654.db2.gz	WGPXLMVFQWAAHT-VVBXCHJUSA-N	-1	0	400.862	3.987	40	10		HHCBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCc1cccc(F)c1	ZINC000035387816	569360705	/nfs/dbraw/zinc/36/07/05/569360705.db2.gz	HSQMUJPWMYEHRY-ZHZULCJRSA-N	-1	0	418.424	3.875	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000009263194	132337779	/nfs/dbraw/zinc/33/77/79/132337779.db2.gz	RJHANYYDWUIERL-UYRXBGFRSA-N	-1	0	417.490	3.631	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000009264492	536656745	/nfs/dbraw/zinc/65/67/45/536656745.db2.gz	SWNOZLPYJPUIRE-HMMYKYKNSA-N	-1	0	421.522	3.517	40	10		HHCBRM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc21	ZINC000000910385	557116376	/nfs/dbraw/zinc/11/63/76/557116376.db2.gz	BEGFRCPLVIVCPH-GZTJUZNOSA-N	-1	0	409.239	3.769	40	10		HHCBRM
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)C2	ZINC000035430859	557727276	/nfs/dbraw/zinc/72/72/76/557727276.db2.gz	RWBUMSZPGMQAES-STETZAIPSA-N	-1	0	401.894	3.611	40	10		HHCBRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1	ZINC000008820362	557810036	/nfs/dbraw/zinc/81/00/36/557810036.db2.gz	JCRLKNIFHXGTFJ-BJXWFGTRSA-N	-1	0	424.503	3.781	40	10		HHCBRM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cnc2ccccc2c1	ZINC000019894240	558303437	/nfs/dbraw/zinc/30/34/37/558303437.db2.gz	MOZFLMMJXANZKS-PXLXIMEGSA-N	-1	0	400.438	3.887	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC	ZINC000015013892	558701173	/nfs/dbraw/zinc/70/11/73/558701173.db2.gz	QSWIJCLXRZSSKQ-ZROIWOOFSA-N	-1	0	406.866	3.542	40	10		HHCBRM
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000016268300	559078567	/nfs/dbraw/zinc/07/85/67/559078567.db2.gz	PPBFKXWXYVMANR-AUWJEWJLSA-N	-1	0	417.874	3.543	40	10		HHCBRM
COc1ccc(C)cc1N=Nc1c(C)[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c1=O	ZINC000104236515	559159414	/nfs/dbraw/zinc/15/94/14/559159414.db2.gz	ZXLDYHNALILNBH-PWKIUMOWSA-N	-1	0	421.457	3.538	40	10		HHCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005371599	560574316	/nfs/dbraw/zinc/57/43/16/560574316.db2.gz	XEDUOGULQAGPBE-YIXGCBLDSA-N	-1	0	404.307	3.887	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OCC	ZINC000408797203	560642031	/nfs/dbraw/zinc/64/20/31/560642031.db2.gz	BTSYQKZOHCANPT-QGOAFFKASA-N	-1	0	408.454	3.849	40	10		HHCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N1	ZINC000408799876	560642204	/nfs/dbraw/zinc/64/22/04/560642204.db2.gz	IWXRRAUGWHQCTF-UHFFFAOYSA-N	-1	0	406.825	3.822	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000408801590	560642495	/nfs/dbraw/zinc/64/24/95/560642495.db2.gz	WFEDNXATEPDDIK-XNTDXEJSSA-N	-1	0	400.818	3.501	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408804653	560643237	/nfs/dbraw/zinc/64/32/37/560643237.db2.gz	ZHPUYTWDIYPHPC-LICLKQGHSA-N	-1	0	414.845	3.804	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC(C)C)c1	ZINC000408812924	560643528	/nfs/dbraw/zinc/64/35/28/560643528.db2.gz	XPNJFTQSHMBVCC-LICLKQGHSA-N	-1	0	414.845	3.802	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000408810255	560643978	/nfs/dbraw/zinc/64/39/78/560643978.db2.gz	LVHFMWIOYHHVLS-KPKJPENVSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OC	ZINC000408817158	560644527	/nfs/dbraw/zinc/64/45/27/560644527.db2.gz	ZUDKUGNRDMEHEV-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408818452	560644809	/nfs/dbraw/zinc/64/48/09/560644809.db2.gz	XZUUDTSGPOOJIU-CXUHLZMHSA-N	-1	0	414.845	3.722	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	ZINC000408870888	560649013	/nfs/dbraw/zinc/64/90/13/560649013.db2.gz	UZFFMXKBNOLEQN-FMIVXFBMSA-N	-1	0	405.635	3.769	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)cc3)C2=O)cc1	ZINC000408898332	560651710	/nfs/dbraw/zinc/65/17/10/560651710.db2.gz	LFIDPJUCSTUURX-HKWRFOASSA-N	-1	0	408.454	3.931	40	10		HHCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000408961648	560658278	/nfs/dbraw/zinc/65/82/78/560658278.db2.gz	UJIWYOCDRZNHLZ-XSFVSMFZSA-N	-1	0	421.522	3.517	40	10		HHCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	ZINC000408985095	560661479	/nfs/dbraw/zinc/66/14/79/560661479.db2.gz	VEJHNVGZSWVCOV-DHDCSXOGSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409010869	560665413	/nfs/dbraw/zinc/66/54/13/560665413.db2.gz	FUYRROJUWVMDNT-FFCYNSPCSA-N	-1	0	415.423	3.633	40	10		HHCBRM
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000409033592	560668491	/nfs/dbraw/zinc/66/84/91/560668491.db2.gz	FSQAVZCJSCDHMC-UITAMQMPSA-N	-1	0	413.258	3.802	40	10		HHCBRM
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000409034089	560668510	/nfs/dbraw/zinc/66/85/10/560668510.db2.gz	GOFDBQJAGNRTIG-XBXARRHUSA-N	-1	0	413.258	3.802	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C	ZINC000409138576	560682878	/nfs/dbraw/zinc/68/28/78/560682878.db2.gz	DWNJPZUPKIHAAE-GZTJUZNOSA-N	-1	0	424.522	3.931	40	10		HHCBRM
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409342710	560711727	/nfs/dbraw/zinc/71/17/27/560711727.db2.gz	DWRUUSXNMHWPDX-XNTDXEJSSA-N	-1	0	401.465	3.564	40	10		HHCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1	ZINC000409379005	560718366	/nfs/dbraw/zinc/71/83/66/560718366.db2.gz	UBQFNOKHFTYEGW-LFIBNONCSA-N	-1	0	415.312	3.843	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000409410147	560721213	/nfs/dbraw/zinc/72/12/13/560721213.db2.gz	ZLJKGNWGVBYUPP-STZFKDTASA-N	-1	0	415.405	3.635	40	10		HHCBRM
CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)OC)C1	ZINC000169619758	560765011	/nfs/dbraw/zinc/76/50/11/560765011.db2.gz	XXEHSBZPOHEQAK-POPZOMSYSA-N	-1	0	403.500	3.511	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S	ZINC000013269130	560804871	/nfs/dbraw/zinc/80/48/71/560804871.db2.gz	CEPGWRWTLFJILI-CXUHLZMHSA-N	-1	0	403.456	3.691	40	10		HHCBRM
CCc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000108090578	569353359	/nfs/dbraw/zinc/35/33/59/569353359.db2.gz	WMXMALASNRQPJF-UVTDQMKNSA-N	-1	0	403.866	3.785	40	10		HHCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)c1	ZINC000109668004	569353762	/nfs/dbraw/zinc/35/37/62/569353762.db2.gz	VLNFZECRTBTGSM-LCYFTJDESA-N	-1	0	403.866	3.840	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccccc1	ZINC000033735497	569360360	/nfs/dbraw/zinc/36/03/60/569360360.db2.gz	ACROMOCDUBBBJJ-RGEXLXHISA-N	-1	0	415.405	3.635	40	10		HHCBRM
C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2cccnc2c1O	ZINC000001611086	557276005	/nfs/dbraw/zinc/27/60/05/557276005.db2.gz	WUMBPDDONXYOSU-CQSZACIVSA-N	-1	0	421.482	3.704	40	10		HHCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CN[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1	ZINC000035430866	557560199	/nfs/dbraw/zinc/56/01/99/557560199.db2.gz	ZIJZQFADSMDGSP-AOEZMABJSA-N	-1	0	409.530	3.883	40	10		HHCBRM
O=C([O-])COc1ccccc1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O	ZINC000006927338	557730578	/nfs/dbraw/zinc/73/05/78/557730578.db2.gz	JYPFHJOXJUMTPA-AQTBWJFISA-N	-1	0	413.520	3.984	40	10		HHCBRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	ZINC000008820363	557810079	/nfs/dbraw/zinc/81/00/79/557810079.db2.gz	ULUZVKCNWHGMAU-GUSDSWBTSA-N	-1	0	424.503	3.781	40	10		HHCBRM
COc1cc(/C=C2\C(C)=NN(c3nc4ccccc4s3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000004905301	560617685	/nfs/dbraw/zinc/61/76/85/560617685.db2.gz	NWDHCCNTWYMZIL-KPKJPENVSA-N	-1	0	410.411	3.725	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCCC)C2=O)cc1	ZINC000408895264	560650622	/nfs/dbraw/zinc/65/06/22/560650622.db2.gz	DIMCHBRJRNKUKF-CYVLTUHYSA-N	-1	0	408.454	3.931	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1	ZINC000408917935	560653705	/nfs/dbraw/zinc/65/37/05/560653705.db2.gz	CWWHHUNQSLINML-LGMDPLHJSA-N	-1	0	413.474	3.630	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(Cl)cc1OC	ZINC000408915100	560653989	/nfs/dbraw/zinc/65/39/89/560653989.db2.gz	USKIWYMBGXKFMU-VGOFMYFVSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1	ZINC000408960839	560657655	/nfs/dbraw/zinc/65/76/55/560657655.db2.gz	OPWBSYXFAYNHIT-LTGZKZEYSA-N	-1	0	403.482	3.906	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)c1	ZINC000409018568	560666111	/nfs/dbraw/zinc/66/61/11/560666111.db2.gz	HSQWXHFDFOPZBP-DEDYPNTBSA-N	-1	0	417.490	3.631	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C	ZINC000409013996	560666216	/nfs/dbraw/zinc/66/62/16/560666216.db2.gz	OJSUPGRHZFCNPZ-LDADJPATSA-N	-1	0	408.454	3.766	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000409015658	560666450	/nfs/dbraw/zinc/66/64/50/560666450.db2.gz	PEMRNQNGEJZHHG-FOWTUZBSSA-N	-1	0	409.417	3.587	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409038775	560668587	/nfs/dbraw/zinc/66/85/87/560668587.db2.gz	PINCKOXXEJBIKN-MLPAPPSSSA-N	-1	0	415.920	3.669	40	10		HHCBRM
Cc1ccc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000409056983	560670500	/nfs/dbraw/zinc/67/05/00/560670500.db2.gz	OBILNQWSFQHHAS-UHFFFAOYSA-N	-1	0	405.237	3.630	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)o2)C1=O	ZINC000409201925	560693115	/nfs/dbraw/zinc/69/31/15/560693115.db2.gz	PDCOAAMZFYSPEK-JXMROGBWSA-N	-1	0	409.623	3.670	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000409214337	560696406	/nfs/dbraw/zinc/69/64/06/560696406.db2.gz	XAXFCPSSATZUAK-WDZFZDKYSA-N	-1	0	406.181	3.568	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C	ZINC000409233589	560700787	/nfs/dbraw/zinc/70/07/87/560700787.db2.gz	LEXLAISQWIZVBB-OQLLNIDSSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000409234827	560700978	/nfs/dbraw/zinc/70/09/78/560700978.db2.gz	MWCDZBYWRNVGCK-XNTDXEJSSA-N	-1	0	400.887	3.878	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1	ZINC000409247606	560701751	/nfs/dbraw/zinc/70/17/51/560701751.db2.gz	IPFYLGVLGOBUEU-RGEXLXHISA-N	-1	0	407.539	3.981	40	10		HHCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000409243234	560702737	/nfs/dbraw/zinc/70/27/37/560702737.db2.gz	QVMYUHRFAIEMMO-NTEUORMPSA-N	-1	0	406.385	3.545	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000409243114	560702746	/nfs/dbraw/zinc/70/27/46/560702746.db2.gz	YQPHVQDUEQFOQB-VXLYETTFSA-N	-1	0	420.856	3.809	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000409243923	560702824	/nfs/dbraw/zinc/70/28/24/560702824.db2.gz	YZXDQAXGFLVQSB-OAPZVAQESA-N	-1	0	413.842	3.636	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c2ccccc12	ZINC000409243793	560702889	/nfs/dbraw/zinc/70/28/89/560702889.db2.gz	UJBQGVFSGBFSCV-QGOAFFKASA-N	-1	0	402.475	3.988	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409345609	560714688	/nfs/dbraw/zinc/71/46/88/560714688.db2.gz	JPFRNCDOIKSMNR-WUXMJOGZSA-N	-1	0	416.318	3.522	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000409392380	560719187	/nfs/dbraw/zinc/71/91/87/560719187.db2.gz	LUHSSFXCLMQMMM-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1c(/C=C2/NC(=O)[N-]C2=O)c2ccccc2n1Cc1ccc(Br)cc1	ZINC000006369986	560741381	/nfs/dbraw/zinc/74/13/81/560741381.db2.gz	IQKNEAZWALKRNL-LICLKQGHSA-N	-1	0	410.271	3.941	40	10		HHCBRM
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005910434	568454196	/nfs/dbraw/zinc/45/41/96/568454196.db2.gz	GIEMGXFJMDURAZ-KNPMLCFXSA-N	-1	0	403.500	3.654	40	10		HHCBRM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S	ZINC000054361100	569072360	/nfs/dbraw/zinc/07/23/60/569072360.db2.gz	YZESAYPDGUCDEM-HWSBYKFUSA-N	-1	0	421.565	3.801	40	10		HHCBRM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361179	569072427	/nfs/dbraw/zinc/07/24/27/569072427.db2.gz	YJZNTHIWVCUTIH-LPPOOGIUSA-N	-1	0	407.476	3.657	40	10		HHCBRM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1OC	ZINC000001192644	132241456	/nfs/dbraw/zinc/24/14/56/132241456.db2.gz	WNYFKQZWVRDTND-GXDHUFHOSA-N	-1	0	416.817	3.873	40	10		HHCBRM
COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1OC	ZINC000002262857	557332420	/nfs/dbraw/zinc/33/24/20/557332420.db2.gz	FWZXAFVNVQVFNB-SFKKXYGYSA-N	-1	0	415.492	3.731	40	10		HHCBRM
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1	ZINC000016160817	558774227	/nfs/dbraw/zinc/77/42/27/558774227.db2.gz	FMZRQJNPWFRMSI-YBEGLDIGSA-N	-1	0	400.232	3.866	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc(Br)c1	ZINC000016386111	558789201	/nfs/dbraw/zinc/78/92/01/558789201.db2.gz	YFCOZORGTQHFHB-ZSOIEALJSA-N	-1	0	416.187	3.864	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC	ZINC000408810148	560643872	/nfs/dbraw/zinc/64/38/72/560643872.db2.gz	OZPDWXFHRZXILY-SFQUDFHCSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1OC(C)C	ZINC000408816262	560644400	/nfs/dbraw/zinc/64/44/00/560644400.db2.gz	RJLPDEXHHZWWQF-GZTJUZNOSA-N	-1	0	408.454	3.766	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)cc1C	ZINC000408852873	560646955	/nfs/dbraw/zinc/64/69/55/560646955.db2.gz	WUQMKITUXZOQIH-ZHZULCJRSA-N	-1	0	403.482	3.878	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1	ZINC000408882850	560649969	/nfs/dbraw/zinc/64/99/69/560649969.db2.gz	OKPWHHPKLIGTJO-XSFVSMFZSA-N	-1	0	416.408	3.789	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000408896007	560650752	/nfs/dbraw/zinc/65/07/52/560650752.db2.gz	GIYTWFZFOGGEDM-WJDWOHSUSA-N	-1	0	400.818	3.501	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)SC1=S	ZINC000408942218	560656687	/nfs/dbraw/zinc/65/66/87/560656687.db2.gz	WTMKRXFPKHPXPA-MDWZMJQESA-N	-1	0	412.414	3.782	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1C	ZINC000408959869	560657663	/nfs/dbraw/zinc/65/76/63/560657663.db2.gz	HEQZSHDQVWRCEI-RCCKNPSSSA-N	-1	0	403.482	3.960	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O	ZINC000408981405	560660987	/nfs/dbraw/zinc/66/09/87/560660987.db2.gz	AWSWJGYJSZCSBF-DHDCSXOGSA-N	-1	0	414.845	3.673	40	10		HHCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1O	ZINC000408983690	560661013	/nfs/dbraw/zinc/66/10/13/560661013.db2.gz	HAIJOGJRZSZPDR-XGICHPGQSA-N	-1	0	421.236	3.682	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccn4)o3)C2=O)cc1	ZINC000408991712	560662298	/nfs/dbraw/zinc/66/22/98/560662298.db2.gz	OXYBZXJUIWHOSC-FOWTUZBSSA-N	-1	0	405.435	3.801	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)C2=O)cc1	ZINC000409009937	560665274	/nfs/dbraw/zinc/66/52/74/560665274.db2.gz	ANVGUDHQEHRNRC-LDADJPATSA-N	-1	0	406.369	3.761	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000409017482	560665901	/nfs/dbraw/zinc/66/59/01/560665901.db2.gz	WWYYQUVQEFHLES-ZHZULCJRSA-N	-1	0	407.539	3.981	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(OCC)c1	ZINC000409147123	560683590	/nfs/dbraw/zinc/68/35/90/560683590.db2.gz	VDZVIXWASGTRRX-LDADJPATSA-N	-1	0	424.522	3.932	40	10		HHCBRM
Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000409199967	560692444	/nfs/dbraw/zinc/69/24/44/560692444.db2.gz	GCIWVKPEIZOYCM-SFQUDFHCSA-N	-1	0	417.377	3.830	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)cc3)C2=O)cc1OCC	ZINC000409200249	560692465	/nfs/dbraw/zinc/69/24/65/560692465.db2.gz	HGCJZWDNHLJAHQ-QGOAFFKASA-N	-1	0	408.454	3.849	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409238519	560699509	/nfs/dbraw/zinc/69/95/09/560699509.db2.gz	KVCFJNFCEFSCIF-OQLLNIDSSA-N	-1	0	406.385	3.545	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@@H](C)CC)C1=O	ZINC000409235523	560701130	/nfs/dbraw/zinc/70/11/30/560701130.db2.gz	BZEOQSKNRMFAHK-JEFCNZTNSA-N	-1	0	408.454	3.929	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409242999	560702742	/nfs/dbraw/zinc/70/27/42/560702742.db2.gz	UDLWJEARYZMMKV-ACCUITESSA-N	-1	0	403.891	3.611	40	10		HHCBRM
COc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1OCC(=O)[O-]	ZINC000409335122	560712329	/nfs/dbraw/zinc/71/23/29/560712329.db2.gz	YWRDAEJZVFMVQA-MHWRWJLKSA-N	-1	0	415.492	3.873	40	10		HHCBRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](CC)C2	ZINC000169300059	560762883	/nfs/dbraw/zinc/76/28/83/560762883.db2.gz	AVSFNVCPZFZDDL-YEJOONJESA-N	-1	0	417.527	3.901	40	10		HHCBRM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C	ZINC000112287933	560777993	/nfs/dbraw/zinc/77/79/93/560777993.db2.gz	QJDVTUMUNBPVIF-ZHZULCJRSA-N	-1	0	408.414	3.555	40	10		HHCBRM
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004124228	560892959	/nfs/dbraw/zinc/89/29/59/560892959.db2.gz	PLOPPQXIMUZDQH-KOZAUXTDSA-N	-1	0	403.500	3.655	40	10		HHCBRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)ccc21	ZINC000223350963	568546043	/nfs/dbraw/zinc/54/60/43/568546043.db2.gz	VZZSZNYTRKWHHN-UHFFFAOYSA-N	-1	0	401.469	3.539	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S	ZINC000059192217	568702429	/nfs/dbraw/zinc/70/24/29/568702429.db2.gz	DTLUVQLYNHXORG-VCHYOVAHSA-N	-1	0	408.504	3.975	40	10		HHCBRM
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1O	ZINC000033334613	966406407	/nfs/dbraw/zinc/40/64/07/966406407.db2.gz	KCIYXBRQZMNVFB-CXUHLZMHSA-N	-1	0	401.465	3.895	40	10		HHCBRM
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)cc1	ZINC000032099485	521923894	/nfs/dbraw/zinc/92/38/94/521923894.db2.gz	FUPXTPFHCRWIDW-MOSHPQCFSA-N	-1	0	416.433	3.811	40	10		HHCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000000849723	522131088	/nfs/dbraw/zinc/13/10/88/522131088.db2.gz	RZGAGTCXEJYEIS-FRKPEAEDSA-N	-1	0	420.321	3.891	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl	ZINC000001168040	536596728	/nfs/dbraw/zinc/59/67/28/536596728.db2.gz	LXCMYLZGUUMZRN-NTEUORMPSA-N	-1	0	400.887	3.797	40	10		HHCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3cccc(C)c3C)C2=O)c(C)c1	ZINC000408533459	557316974	/nfs/dbraw/zinc/31/69/74/557316974.db2.gz	SHOYTBLJYUIGHB-GZTJUZNOSA-N	-1	0	420.469	3.517	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408553418	557442937	/nfs/dbraw/zinc/44/29/37/557442937.db2.gz	YWVVKIRPYNMKCX-WQLSENKSSA-N	-1	0	410.257	3.876	40	10		HHCBRM
COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004425607	557554189	/nfs/dbraw/zinc/55/41/89/557554189.db2.gz	UJPLFXGXUVKMGC-UVQBRAAOSA-N	-1	0	413.476	3.500	40	10		HHCBRM
O=C1C=CC(=NNc2cccc3c2C(=O)c2ccccc2C3=O)C=C1S(=O)(=O)[O-]	ZINC000004887215	557610090	/nfs/dbraw/zinc/61/00/90/557610090.db2.gz	CWSAPUYRNNXFMX-QURGRASLSA-N	-1	0	408.391	3.830	40	10		HHCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S	ZINC000005371467	557647819	/nfs/dbraw/zinc/64/78/19/557647819.db2.gz	DSLUZHGVHUPZTL-RERGGYADSA-N	-1	0	409.529	3.939	40	10		HHCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2c3c1cccc3C(=O)N(C)C2=O	ZINC000013282649	558827068	/nfs/dbraw/zinc/82/70/68/558827068.db2.gz	FPVUIAXJNODNCQ-UYRXBGFRSA-N	-1	0	410.433	3.784	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	ZINC000408775292	560639474	/nfs/dbraw/zinc/63/94/74/560639474.db2.gz	GHBSVSMHJWFOBR-QGOAFFKASA-N	-1	0	408.454	3.849	40	10		HHCBRM
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)c(OC)cc1Cl	ZINC000408789465	560641586	/nfs/dbraw/zinc/64/15/86/560641586.db2.gz	LEACZSOWLWGOSK-KPKJPENVSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000408800854	560642274	/nfs/dbraw/zinc/64/22/74/560642274.db2.gz	PVLJXBHZALZWEX-SFQUDFHCSA-N	-1	0	408.454	3.767	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1	ZINC000408806522	560642553	/nfs/dbraw/zinc/64/25/53/560642553.db2.gz	JMKCZXLMJKHBPQ-NTUHNPAUSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	ZINC000408804899	560643316	/nfs/dbraw/zinc/64/33/16/560643316.db2.gz	CCVUENGRJBKWEG-QGOAFFKASA-N	-1	0	408.454	3.713	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC	ZINC000408814971	560645167	/nfs/dbraw/zinc/64/51/67/560645167.db2.gz	ZYADCRCWXYVQJI-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1	ZINC000408877280	560649471	/nfs/dbraw/zinc/64/94/71/560649471.db2.gz	UDEFOWWOKUWDAO-VIZOYTHASA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000408898745	560651734	/nfs/dbraw/zinc/65/17/34/560651734.db2.gz	MKSRYNCVSNTZBT-WJDWOHSUSA-N	-1	0	414.845	3.804	40	10		HHCBRM
Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000408961991	560658445	/nfs/dbraw/zinc/65/84/45/560658445.db2.gz	WPQFIAMYASGEBF-GHRIWEEISA-N	-1	0	409.486	3.566	40	10		HHCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC	ZINC000408982100	560661098	/nfs/dbraw/zinc/66/10/98/560661098.db2.gz	FRUUASVTKDLDHF-AQTBWJFISA-N	-1	0	408.454	3.713	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1	ZINC000409073027	560673590	/nfs/dbraw/zinc/67/35/90/560673590.db2.gz	UPAINEMNVVGIBZ-LFIBNONCSA-N	-1	0	413.836	3.746	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000409133636	560682060	/nfs/dbraw/zinc/68/20/60/560682060.db2.gz	LXHBINJZQFLYKW-RGEXLXHISA-N	-1	0	407.539	3.981	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000409200068	560692462	/nfs/dbraw/zinc/69/24/62/560692462.db2.gz	GGEVQCJUINKMEA-RIYZIHGNSA-N	-1	0	405.635	3.769	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)[N-]C2=S)c1	ZINC000409229962	560698213	/nfs/dbraw/zinc/69/82/13/560698213.db2.gz	AGUMXLCWVXPKCT-NTUHNPAUSA-N	-1	0	421.341	3.959	40	10		HHCBRM
Cc1ccccc1-n1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409236478	560699147	/nfs/dbraw/zinc/69/91/47/560699147.db2.gz	GXKJJZQJXIDDBG-NBVRZTHBSA-N	-1	0	401.491	3.925	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409236785	560699339	/nfs/dbraw/zinc/69/93/39/560699339.db2.gz	HFBOWJKFBMCGTF-IEMQHYRPSA-N	-1	0	415.492	3.953	40	10		HHCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1	ZINC000409240154	560699967	/nfs/dbraw/zinc/69/99/67/560699967.db2.gz	OTTSMBCUOKOEPN-GHRIWEEISA-N	-1	0	409.511	3.718	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C1=O	ZINC000409230490	560700174	/nfs/dbraw/zinc/70/01/74/560700174.db2.gz	YVAUSTPPMSHTCH-SFQUDFHCSA-N	-1	0	421.840	3.811	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OCC(=O)[O-]	ZINC000409349625	560713418	/nfs/dbraw/zinc/71/34/18/560713418.db2.gz	VTPMDKYCODOODP-NVNXTCNLSA-N	-1	0	419.455	3.704	40	10		HHCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1Cl	ZINC000409394216	560719616	/nfs/dbraw/zinc/71/96/16/560719616.db2.gz	XGYXEMYTQRWBCG-GZTJUZNOSA-N	-1	0	406.829	3.501	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409409405	560722787	/nfs/dbraw/zinc/72/27/87/560722787.db2.gz	VBLVRMVNFIDTFL-STZFKDTASA-N	-1	0	415.405	3.635	40	10		HHCBRM
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000014415062	560846338	/nfs/dbraw/zinc/84/63/38/560846338.db2.gz	QXEXYULIXWDWIK-HKWRFOASSA-N	-1	0	405.450	3.690	40	10		HHCBRM
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000222742137	568525203	/nfs/dbraw/zinc/52/52/03/568525203.db2.gz	VWUDCVPGEHQRIB-UXHICEINSA-N	-1	0	406.511	3.790	40	10		HHCBRM
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000222742076	568525219	/nfs/dbraw/zinc/52/52/19/568525219.db2.gz	VWUDCVPGEHQRIB-WOJBJXKFSA-N	-1	0	406.511	3.790	40	10		HHCBRM
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000222742684	568525372	/nfs/dbraw/zinc/52/53/72/568525372.db2.gz	UJVADDUXFPNPMR-UXHICEINSA-N	-1	0	406.511	3.790	40	10		HHCBRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OC	ZINC000059136154	568701498	/nfs/dbraw/zinc/70/14/98/568701498.db2.gz	WZPHIPOFFOZUKA-JLHYYAGUSA-N	-1	0	400.431	3.905	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(O)c1	ZINC000059198495	568702575	/nfs/dbraw/zinc/70/25/75/568702575.db2.gz	YAYXEPQJWYIQFC-NTEUORMPSA-N	-1	0	403.257	3.826	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc([N+](=O)[O-])c2)c1	ZINC000033783401	569360432	/nfs/dbraw/zinc/36/04/32/569360432.db2.gz	FRBJYPDAMBVWDO-STZFKDTASA-N	-1	0	415.405	3.635	40	10		HHCBRM
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002815584	557394900	/nfs/dbraw/zinc/39/49/00/557394900.db2.gz	XOFMBPFRUANQLW-OOIIIRTPSA-N	-1	0	415.492	3.953	40	10		HHCBRM
Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000408552687	557441689	/nfs/dbraw/zinc/44/16/89/557441689.db2.gz	USCUBYAKDHUKQS-LCYFTJDESA-N	-1	0	403.866	3.840	40	10		HHCBRM
Cn1c2ccccc2c([O-])c(C2=NNC(=O)C2=C2c3ccccc3-c3ccccc32)c1=O	ZINC000003850412	557501148	/nfs/dbraw/zinc/50/11/48/557501148.db2.gz	LJWAFBVEPJDIAZ-UHFFFAOYSA-N	-1	0	419.440	3.561	40	10		HHCBRM
Cn1c(/C=C2/SC(=S)N(c3ccc(CC(=O)[O-])cc3)C2=O)nc2ccccc21	ZINC000005235995	557641013	/nfs/dbraw/zinc/64/10/13/557641013.db2.gz	HQRZUPPYOQNWIH-LFIBNONCSA-N	-1	0	409.492	3.606	40	10		HHCBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1	ZINC000005374789	557648673	/nfs/dbraw/zinc/64/86/73/557648673.db2.gz	RAHYODYNQVVTOR-CXUHLZMHSA-N	-1	0	412.492	3.777	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1Cl	ZINC000408741544	557808237	/nfs/dbraw/zinc/80/82/37/557808237.db2.gz	MQPXRHNPIXIGDZ-MDWZMJQESA-N	-1	0	421.703	3.934	40	10		HHCBRM
Cc1ccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1	ZINC000031302873	558749332	/nfs/dbraw/zinc/74/93/32/558749332.db2.gz	NPTFPGVUCJVNBW-UHFFFAOYSA-N	-1	0	422.462	3.651	40	10		HHCBRM
CCCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)s1	ZINC000100163537	559131333	/nfs/dbraw/zinc/13/13/33/559131333.db2.gz	VSFCCPCRCHNUQT-LCYFTJDESA-N	-1	0	406.309	3.972	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	ZINC000408783387	560641232	/nfs/dbraw/zinc/64/12/32/560641232.db2.gz	OLRUXDSWRAFCRK-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408799991	560642218	/nfs/dbraw/zinc/64/22/18/560642218.db2.gz	MLYMMNAHPQHDHY-GZTJUZNOSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)C	ZINC000408814150	560645017	/nfs/dbraw/zinc/64/50/17/560645017.db2.gz	NYAYISSQJYGQEB-LDADJPATSA-N	-1	0	408.454	3.847	40	10		HHCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(O)c1	ZINC000408844052	560646310	/nfs/dbraw/zinc/64/63/10/560646310.db2.gz	IERWBXGCQSAXFL-XDHOZWIPSA-N	-1	0	407.470	3.522	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000408850817	560647169	/nfs/dbraw/zinc/64/71/69/560647169.db2.gz	RPUSFJHIZLJFIM-RIYZIHGNSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408872827	560649082	/nfs/dbraw/zinc/64/90/82/560649082.db2.gz	JKVSTSKWQWAWIP-UVTDQMKNSA-N	-1	0	402.809	3.933	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cccc1OC	ZINC000408895911	560650758	/nfs/dbraw/zinc/65/07/58/560650758.db2.gz	GBVKJNHMGAAMRN-COYFKBPASA-N	-1	0	408.454	3.847	40	10		HHCBRM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408982613	560661222	/nfs/dbraw/zinc/66/12/22/560661222.db2.gz	IJGQIBGSHHEIBY-ZSOIEALJSA-N	-1	0	405.237	3.977	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000408986057	560661644	/nfs/dbraw/zinc/66/16/44/560661644.db2.gz	LLAFYRSKGBBRBE-PDGQHHTCSA-N	-1	0	408.454	3.711	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)C(=O)[N-]C2=S)cc1	ZINC000408986475	560661658	/nfs/dbraw/zinc/66/16/58/560661658.db2.gz	CNTFKOKWMSDZBK-UKTHLTGXSA-N	-1	0	407.278	3.833	40	10		HHCBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O	ZINC000408995577	560662582	/nfs/dbraw/zinc/66/25/82/560662582.db2.gz	KBSZWTYUPCWUMR-XYOKQWHBSA-N	-1	0	407.314	3.650	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)C	ZINC000409013216	560665682	/nfs/dbraw/zinc/66/56/82/560665682.db2.gz	MIEFCTSRZPWDLH-WOJGMQOQSA-N	-1	0	424.522	3.931	40	10		HHCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1C	ZINC000409097943	560676248	/nfs/dbraw/zinc/67/62/48/560676248.db2.gz	OJLOVLWMEDOFGL-SFQUDFHCSA-N	-1	0	407.445	3.709	40	10		HHCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1C	ZINC000409099251	560676391	/nfs/dbraw/zinc/67/63/91/560676391.db2.gz	KKKMIGBCNVJPBB-CXUHLZMHSA-N	-1	0	416.275	3.554	40	10		HHCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O	ZINC000409224512	560697966	/nfs/dbraw/zinc/69/79/66/560697966.db2.gz	IAIRLSKLSQNEGS-NTCAYCPXSA-N	-1	0	413.861	3.898	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)CC)cc2)C1=O	ZINC000409220976	560698738	/nfs/dbraw/zinc/69/87/38/560698738.db2.gz	ISTUZEBEQOWMGT-LWFDYCOSSA-N	-1	0	408.454	3.929	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccn1	ZINC000409239421	560699685	/nfs/dbraw/zinc/69/96/85/560699685.db2.gz	PWRQJXDAIRRTAT-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000409246022	560701384	/nfs/dbraw/zinc/70/13/84/560701384.db2.gz	CQIORQOOQWESDQ-FYJGNVAPSA-N	-1	0	422.444	3.751	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)s2)C1=O	ZINC000409247295	560701795	/nfs/dbraw/zinc/70/17/95/560701795.db2.gz	MDEJZFKBLNCSKE-PKNBQFBNSA-N	-1	0	421.272	3.576	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12	ZINC000409395268	560721047	/nfs/dbraw/zinc/72/10/47/560721047.db2.gz	LUCWQMQWTYDPPM-HMMYKYKNSA-N	-1	0	412.449	3.501	40	10		HHCBRM
CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OC	ZINC000059136078	568701133	/nfs/dbraw/zinc/70/11/33/568701133.db2.gz	XVLSPGVEQGCLAH-JLHYYAGUSA-N	-1	0	400.431	3.905	40	10		HHCBRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccccc2)Cc2ccccc2O)c1	ZINC000257291445	568802017	/nfs/dbraw/zinc/80/20/17/568802017.db2.gz	QGZPISUFFLGNSZ-UHFFFAOYSA-N	-1	0	421.449	3.707	40	10		HHCBRM
O=[N+]([O-])c1cc(Br)cc([C@H]2CC(c3ccccc3)=Nc3ncnn32)c1[O-]	ZINC000003060175	568852076	/nfs/dbraw/zinc/85/20/76/568852076.db2.gz	RVKSESRJSNXOML-CQSZACIVSA-N	-1	0	414.219	3.710	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1	ZINC000006627948	569360050	/nfs/dbraw/zinc/36/00/50/569360050.db2.gz	FAFHSSJTBWUAMV-DEDYPNTBSA-N	-1	0	418.424	3.875	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1	ZINC000034794724	569360688	/nfs/dbraw/zinc/36/06/88/569360688.db2.gz	NMPHDEOAHPYGOD-AQTBWJFISA-N	-1	0	408.255	3.701	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000210451601	569361663	/nfs/dbraw/zinc/36/16/63/569361663.db2.gz	VOPULFULDDEZRD-PXNMLYILSA-N	-1	0	419.455	3.704	40	10		HHCBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1Cl	ZINC000408535631	557333557	/nfs/dbraw/zinc/33/35/57/557333557.db2.gz	ZEFZPIYBLYWGOS-XNTDXEJSSA-N	-1	0	413.861	3.853	40	10		HHCBRM
COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000005214088	557640233	/nfs/dbraw/zinc/64/02/33/557640233.db2.gz	RIRGBKAZVBXSCD-AYCSXLNKSA-N	-1	0	415.492	3.818	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c(OC)c1	ZINC000005371695	557647960	/nfs/dbraw/zinc/64/79/60/557647960.db2.gz	ZUPFTIRFEHCOKS-SXGWCWSVSA-N	-1	0	401.465	3.808	40	10		HHCBRM
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000005564548	557662237	/nfs/dbraw/zinc/66/22/37/557662237.db2.gz	IGPDCFRNCCQAEI-SXGWCWSVSA-N	-1	0	415.423	3.553	40	10		HHCBRM
Cc1c(C)c(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786884	558665456	/nfs/dbraw/zinc/66/54/56/558665456.db2.gz	ORZSKJBICBVZKJ-UHFFFAOYSA-N	-1	0	417.508	3.643	40	10		HHCBRM
COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1	ZINC000016312222	558785755	/nfs/dbraw/zinc/78/57/55/558785755.db2.gz	ILKXUTWDPBFTKL-GDNBJRDFSA-N	-1	0	422.466	3.501	40	10		HHCBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)C2=O)cc1	ZINC000016687835	558799924	/nfs/dbraw/zinc/79/99/24/558799924.db2.gz	HDQIAXQBBFYLRE-QGOAFFKASA-N	-1	0	420.396	3.724	40	10		HHCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S	ZINC000102735121	559152340	/nfs/dbraw/zinc/15/23/40/559152340.db2.gz	LPMHWPBUPFMTRI-FEEIMYBTSA-N	-1	0	404.557	3.770	40	10		HHCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005373872	560574477	/nfs/dbraw/zinc/57/44/77/560574477.db2.gz	JOEKMCMKTOQUPK-RDTPKYPVSA-N	-1	0	404.307	3.743	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	ZINC000408798369	560642057	/nfs/dbraw/zinc/64/20/57/560642057.db2.gz	DTMXSPUYBGOAKM-XSFVSMFZSA-N	-1	0	414.417	3.638	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OC(C)C	ZINC000408805641	560643382	/nfs/dbraw/zinc/64/33/82/560643382.db2.gz	BICNHGGYIHBYPH-GXDHUFHOSA-N	-1	0	414.845	3.802	40	10		HHCBRM
CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408809541	560643864	/nfs/dbraw/zinc/64/38/64/560643864.db2.gz	HKZCOOUHQPOERP-LFIBNONCSA-N	-1	0	400.818	3.501	40	10		HHCBRM
CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408818547	560644813	/nfs/dbraw/zinc/64/48/13/560644813.db2.gz	YJPDUNPOUYJZBX-SFQUDFHCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000408849521	560647021	/nfs/dbraw/zinc/64/70/21/560647021.db2.gz	WQVGKYJBBVNYCK-DHZHZOJOSA-N	-1	0	422.249	3.733	40	10		HHCBRM
CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000408900085	560651235	/nfs/dbraw/zinc/65/12/35/560651235.db2.gz	RKYFMYMHYAQRKV-ATVHPVEESA-N	-1	0	414.845	3.891	40	10		HHCBRM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cccc1OC	ZINC000408914454	560653786	/nfs/dbraw/zinc/65/37/86/560653786.db2.gz	PWKWMMMGPBARIM-VVBXCHJUSA-N	-1	0	412.417	3.678	40	10		HHCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3F)C2=O)c1	ZINC000408960552	560657946	/nfs/dbraw/zinc/65/79/46/560657946.db2.gz	GULXUKMIPSGNIV-QGOAFFKASA-N	-1	0	403.413	3.900	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)c1	ZINC000408961118	560658076	/nfs/dbraw/zinc/65/80/76/560658076.db2.gz	RDESLHSPZBNAOO-KGENOOAVSA-N	-1	0	419.481	3.660	40	10		HHCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1C	ZINC000408965954	560659122	/nfs/dbraw/zinc/65/91/22/560659122.db2.gz	XZOOTBIUEUYJAO-MHWRWJLKSA-N	-1	0	416.275	3.554	40	10		HHCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000408967281	560659320	/nfs/dbraw/zinc/65/93/20/560659320.db2.gz	UIPBNNLEYVRYFX-FOWTUZBSSA-N	-1	0	409.804	3.936	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)c1	ZINC000409098537	560676262	/nfs/dbraw/zinc/67/62/62/560676262.db2.gz	PCIZYKWKWMIVMX-XNTDXEJSSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409100484	560677015	/nfs/dbraw/zinc/67/70/15/560677015.db2.gz	NYTAJDOVEIVFRW-RVDMUPIBSA-N	-1	0	400.887	3.878	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)c(C)c1	ZINC000409129805	560681639	/nfs/dbraw/zinc/68/16/39/560681639.db2.gz	SPZDSBLSBIPSMD-UNKWGXRISA-N	-1	0	407.451	3.599	40	10		HHCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)o2)C1=O	ZINC000409217194	560697502	/nfs/dbraw/zinc/69/75/02/560697502.db2.gz	TUDSUUUZLYZKQV-YRNVUSSQSA-N	-1	0	409.623	3.670	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1	ZINC000409238697	560699513	/nfs/dbraw/zinc/69/95/13/560699513.db2.gz	FJCAFPDSICHSSD-CXUHLZMHSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C)cc2)C1=O	ZINC000409238251	560699552	/nfs/dbraw/zinc/69/95/52/560699552.db2.gz	MFAHLCYGUVSSCO-XDJHFCHBSA-N	-1	0	415.449	3.851	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O	ZINC000409231697	560700434	/nfs/dbraw/zinc/70/04/34/560700434.db2.gz	FRWWIVQONCOKPE-RIYZIHGNSA-N	-1	0	416.886	3.584	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1	ZINC000409247187	560701786	/nfs/dbraw/zinc/70/17/86/560701786.db2.gz	CJBUADKLLGRLBZ-WOJGMQOQSA-N	-1	0	410.495	3.659	40	10		HHCBRM
CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])SC1=S	ZINC000409352666	560714128	/nfs/dbraw/zinc/71/41/28/560714128.db2.gz	XTGKDADBCIXVQI-GHXNOFRVSA-N	-1	0	416.318	3.524	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000005613214	560738559	/nfs/dbraw/zinc/73/85/59/560738559.db2.gz	LAZINGSTNLJIIO-CIAFOILYSA-N	-1	0	417.465	3.966	40	10		HHCBRM
CCOC(=O)c1ccc(N=C(C)c2c(CC(=O)OC)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000112289412	560778164	/nfs/dbraw/zinc/77/81/64/560778164.db2.gz	RFRAFPOJHWTGAW-QNGOZBTKSA-N	-1	0	421.453	3.515	40	10		HHCBRM
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005910402	568454222	/nfs/dbraw/zinc/45/42/22/568454222.db2.gz	GIEMGXFJMDURAZ-KOZAUXTDSA-N	-1	0	403.500	3.654	40	10		HHCBRM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)ccc21	ZINC000223845790	568560731	/nfs/dbraw/zinc/56/07/31/568560731.db2.gz	UNLITNFBGQDHQJ-UHFFFAOYSA-N	-1	0	420.490	3.627	40	10		HHCBRM
Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000006043982	569359709	/nfs/dbraw/zinc/35/97/09/569359709.db2.gz	ZZRJYGWRXWSIHZ-RVDMUPIBSA-N	-1	0	411.408	3.540	40	10		HHCBRM
Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000006545701	569360001	/nfs/dbraw/zinc/36/00/01/569360001.db2.gz	XDAASHXJMBEJTG-LICLKQGHSA-N	-1	0	411.408	3.540	40	10		HHCBRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000033699000	569360370	/nfs/dbraw/zinc/36/03/70/569360370.db2.gz	DXYYQAJAUHWQKV-PBJWJZLWSA-N	-1	0	415.920	3.812	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000210407501	569361606	/nfs/dbraw/zinc/36/16/06/569361606.db2.gz	MENFRZPHLVZDJZ-YBEGLDIGSA-N	-1	0	401.465	3.564	40	10		HHCBRM
O=C([O-])CCSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O	ZINC000005516228	960735661	/nfs/dbraw/zinc/73/56/61/960735661.db2.gz	QJZOCSSVLNWQAI-UHFFFAOYSA-N	-1	0	403.481	3.913	40	10		HHCBRM
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1C	ZINC000006188664	132309471	/nfs/dbraw/zinc/30/94/71/132309471.db2.gz	XPYAVFVMFGJOCE-WQLSENKSSA-N	-1	0	405.273	3.794	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)o1	ZINC000006997534	132321907	/nfs/dbraw/zinc/32/19/07/132321907.db2.gz	RYXDAFVLFWSHAN-XFFZJAGNSA-N	-1	0	411.664	3.527	40	10		HHCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3C)C2=O)c1	ZINC000009260124	132337768	/nfs/dbraw/zinc/33/77/68/132337768.db2.gz	RTAXXHXCKNUACX-STZFKDTASA-N	-1	0	421.497	3.906	40	10		HHCBRM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3ccc(F)c(Cl)c3)c(Cl)c2)C1=O	ZINC000032189233	523720650	/nfs/dbraw/zinc/72/06/50/523720650.db2.gz	RMFBKSDFODEATG-WUXMJOGZSA-N	-1	0	423.227	3.803	40	10		HHCBRM
Cc1c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1Cl	ZINC000408588641	557494249	/nfs/dbraw/zinc/49/42/49/557494249.db2.gz	CCDORWWYOKZGTQ-VCHYOVAHSA-N	-1	0	423.856	3.629	40	10		HHCBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S	ZINC000005235998	557641047	/nfs/dbraw/zinc/64/10/47/557641047.db2.gz	UDYOPQPBTWUKLN-MHWRWJLKSA-N	-1	0	409.492	3.986	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])[C@@H](C)CC)C2=O)cc1OC	ZINC000005373723	557648276	/nfs/dbraw/zinc/64/82/76/557648276.db2.gz	ONNTXQSECPYIES-ACLOWREXSA-N	-1	0	409.529	3.794	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])[C@H](C)CC)C2=O)cc1OC	ZINC000005373721	557648292	/nfs/dbraw/zinc/64/82/92/557648292.db2.gz	ONNTXQSECPYIES-FUWNQADWSA-N	-1	0	409.529	3.794	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373678	557648319	/nfs/dbraw/zinc/64/83/19/557648319.db2.gz	LQPZOOHTYWBVJP-SXGWCWSVSA-N	-1	0	401.465	3.895	40	10		HHCBRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	ZINC000012428574	558656157	/nfs/dbraw/zinc/65/61/57/558656157.db2.gz	HAMXKLVFKPINFK-MLPAPPSSSA-N	-1	0	424.843	3.794	40	10		HHCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1C	ZINC000015013418	558701148	/nfs/dbraw/zinc/70/11/48/558701148.db2.gz	FCLIIVIIRRMRCR-UVTDQMKNSA-N	-1	0	400.887	3.797	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O	ZINC000015013450	558701225	/nfs/dbraw/zinc/70/12/25/558701225.db2.gz	RKNAMSLPQDLZES-LCYFTJDESA-N	-1	0	416.886	3.584	40	10		HHCBRM
CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])SC1=S	ZINC000036617176	558737149	/nfs/dbraw/zinc/73/71/49/558737149.db2.gz	AEQFBVMRTQJUPN-BAQGIRSFSA-N	-1	0	409.124	3.748	40	10		HHCBRM
COc1ccc(C)cc1N=Nc1c(C)[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c1=O	ZINC000104236506	559159398	/nfs/dbraw/zinc/15/93/98/559159398.db2.gz	ZXLDYHNALILNBH-JOWZZTKRSA-N	-1	0	421.457	3.538	40	10		HHCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000408781629	560641451	/nfs/dbraw/zinc/64/14/51/560641451.db2.gz	DBUFRNSDKUHCHU-QPEQYQDCSA-N	-1	0	407.278	3.833	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000408787214	560641793	/nfs/dbraw/zinc/64/17/93/560641793.db2.gz	UZJGLLKNJFCUAV-LFIBNONCSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC	ZINC000408802240	560642820	/nfs/dbraw/zinc/64/28/20/560642820.db2.gz	YPRYUKMTMJCMFJ-MHWRWJLKSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	ZINC000408803334	560643030	/nfs/dbraw/zinc/64/30/30/560643030.db2.gz	NRNNTDJCQQBXJT-OQLLNIDSSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1	ZINC000408894421	560650543	/nfs/dbraw/zinc/65/05/43/560650543.db2.gz	CJLWNNVVXCVCIA-ZHZULCJRSA-N	-1	0	408.454	3.929	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cccc1OC	ZINC000408903122	560652341	/nfs/dbraw/zinc/65/23/41/560652341.db2.gz	PORCISNTMBKQLP-VLURKWGBSA-N	-1	0	412.417	3.678	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408953352	560656711	/nfs/dbraw/zinc/65/67/11/560656711.db2.gz	OUDRLYJSCOZGJD-KGENOOAVSA-N	-1	0	415.449	3.769	40	10		HHCBRM
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)c1C	ZINC000408961331	560658165	/nfs/dbraw/zinc/65/81/65/560658165.db2.gz	RPVWDGNORPMLHP-XSFVSMFZSA-N	-1	0	403.482	3.878	40	10		HHCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1OC(C)C	ZINC000409146410	560684675	/nfs/dbraw/zinc/68/46/75/560684675.db2.gz	TZPWXWQMDCAWCC-GZTJUZNOSA-N	-1	0	424.522	3.931	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000409231412	560700334	/nfs/dbraw/zinc/70/03/34/560700334.db2.gz	JYVLBAPOFRVPHL-GZTJUZNOSA-N	-1	0	420.856	3.809	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O	ZINC000409232645	560700554	/nfs/dbraw/zinc/70/05/54/560700554.db2.gz	AVQLQLOUTYTCKI-GZTJUZNOSA-N	-1	0	410.495	3.746	40	10		HHCBRM
C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000062825007	560857597	/nfs/dbraw/zinc/85/75/97/560857597.db2.gz	QZAPNTGPYHULRL-RSYJBZMQSA-N	-1	0	418.521	3.675	40	10		HHCBRM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)c1	ZINC000223839403	568560432	/nfs/dbraw/zinc/56/04/32/568560432.db2.gz	ZIJUTIVMGUPMIV-UHFFFAOYSA-N	-1	0	409.463	3.813	40	10		HHCBRM
COc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000027530377	569366147	/nfs/dbraw/zinc/36/61/47/569366147.db2.gz	CUGTXKJHOOCVTP-LZYBPNLTSA-N	-1	0	417.464	3.513	40	10		HHCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC	ZINC000005747047	960774382	/nfs/dbraw/zinc/77/43/82/960774382.db2.gz	WZSDQZYQCCYWGC-MLPAPPSSSA-N	-1	0	407.253	3.780	40	10		HHCBRM
N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN21	ZINC000041076781	526836216	/nfs/dbraw/zinc/83/62/16/526836216.db2.gz	ZSPAJXRTDIXMKP-DJYHHWSZSA-N	-1	0	407.238	3.959	40	10		HHCBRM
N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN21	ZINC000041084280	526836528	/nfs/dbraw/zinc/83/65/28/526836528.db2.gz	GIZSWLZPUIRQPQ-TVWPWEFYSA-N	-1	0	418.265	3.761	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Br)c3)C2=O)cc1C	ZINC000408526300	557287727	/nfs/dbraw/zinc/28/77/27/557287727.db2.gz	ATBXRNARTNPTQO-MHWRWJLKSA-N	-1	0	414.259	3.645	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408553076	557442474	/nfs/dbraw/zinc/44/24/74/557442474.db2.gz	WXBVWOWIFILJJH-WQLSENKSSA-N	-1	0	410.257	3.876	40	10		HHCBRM
Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000408594913	557512559	/nfs/dbraw/zinc/51/25/59/557512559.db2.gz	PWWPTMWNICMVLB-BKUYFWCQSA-N	-1	0	415.449	3.738	40	10		HHCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1OC	ZINC000005371465	557647770	/nfs/dbraw/zinc/64/77/70/557647770.db2.gz	FIIIQTBZIMUXEH-YDRQLGOLSA-N	-1	0	409.529	3.794	40	10		HHCBRM
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000005895997	557679717	/nfs/dbraw/zinc/67/97/17/557679717.db2.gz	KITZWLZQJGMAKN-XMHGGMMESA-N	-1	0	407.495	3.503	40	10		HHCBRM
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(CC)C3=O)c2C)cc1	ZINC000005947700	557682232	/nfs/dbraw/zinc/68/22/32/557682232.db2.gz	FPXPJLZMSVPVCC-LDADJPATSA-N	-1	0	409.442	3.593	40	10		HHCBRM
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br	ZINC000408695106	557709934	/nfs/dbraw/zinc/70/99/34/557709934.db2.gz	PIQVDWSVBKLFOU-NTEUORMPSA-N	-1	0	421.291	3.641	40	10		HHCBRM
Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O	ZINC000408740025	557805889	/nfs/dbraw/zinc/80/58/89/557805889.db2.gz	CNRLBTHZPATINW-XNTDXEJSSA-N	-1	0	415.312	3.897	40	10		HHCBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S	ZINC000008821654	557810690	/nfs/dbraw/zinc/81/06/90/557810690.db2.gz	UAZXQUPBXMWRBR-PFONDFGASA-N	-1	0	414.439	3.560	40	10		HHCBRM
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)ccc1O	ZINC000012273947	558363451	/nfs/dbraw/zinc/36/34/51/558363451.db2.gz	UWNHMBPMCGBAIX-PXNMLYILSA-N	-1	0	417.464	3.601	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000015013666	558701198	/nfs/dbraw/zinc/70/11/98/558701198.db2.gz	FVOYGOQGNZKTIN-CIAFOILYSA-N	-1	0	417.465	3.966	40	10		HHCBRM
CN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])SC1=S	ZINC000083312698	558833534	/nfs/dbraw/zinc/83/35/34/558833534.db2.gz	AEQFBVMRTQJUPN-FPYGCLRLSA-N	-1	0	409.124	3.748	40	10		HHCBRM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c[n-]n2c1nc1ccccc1c2=O	ZINC000100958857	559142273	/nfs/dbraw/zinc/14/22/73/559142273.db2.gz	DPEMVULFBUEHDI-RQZCQDPDSA-N	-1	0	403.829	3.635	40	10		HHCBRM
O=C1C=CC(=NNc2cccc3c2C(=O)c2ccccc2C3=O)C=C1S(=O)(=O)[O-]	ZINC000104045365	559157497	/nfs/dbraw/zinc/15/74/97/559157497.db2.gz	CWSAPUYRNNXFMX-DQRAZIAOSA-N	-1	0	408.391	3.830	40	10		HHCBRM
CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408802111	560642264	/nfs/dbraw/zinc/64/22/64/560642264.db2.gz	DBHBFWDNSSZISD-LDADJPATSA-N	-1	0	408.454	3.767	40	10		HHCBRM
O=C1[N-]C(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1	ZINC000408801073	560642276	/nfs/dbraw/zinc/64/22/76/560642276.db2.gz	SLFBTMAAQRQVMO-UHFFFAOYSA-N	-1	0	406.825	3.822	40	10		HHCBRM
CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408801679	560642424	/nfs/dbraw/zinc/64/24/24/560642424.db2.gz	WWQVLDHFZZBRTJ-CXUHLZMHSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC	ZINC000408808295	560643637	/nfs/dbraw/zinc/64/36/37/560643637.db2.gz	FLKTVXCLKBUGLB-XNTDXEJSSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(C)C	ZINC000408811660	560644109	/nfs/dbraw/zinc/64/41/09/560644109.db2.gz	OCKWQANHDFTSAX-SFQUDFHCSA-N	-1	0	408.454	3.847	40	10		HHCBRM
Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c2ccccc2n1C	ZINC000408846755	560646557	/nfs/dbraw/zinc/64/65/57/560646557.db2.gz	RSVCNLOZIZJDTO-PDGQHHTCSA-N	-1	0	403.507	3.935	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC	ZINC000408856390	560647876	/nfs/dbraw/zinc/64/78/76/560647876.db2.gz	IBXLCVBZRSTCIK-RIYZIHGNSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OCC	ZINC000408865923	560648298	/nfs/dbraw/zinc/64/82/98/560648298.db2.gz	CPZNOICDUZVDBB-QINSGFPZSA-N	-1	0	412.417	3.680	40	10		HHCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1O	ZINC000408892046	560650971	/nfs/dbraw/zinc/65/09/71/560650971.db2.gz	ADJLHSVBQZVOAO-RIYZIHGNSA-N	-1	0	414.845	3.728	40	10		HHCBRM
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408902267	560652236	/nfs/dbraw/zinc/65/22/36/560652236.db2.gz	GPBYBYSCFLNQEP-NDENLUEZSA-N	-1	0	415.474	3.563	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000408913141	560653150	/nfs/dbraw/zinc/65/31/50/560653150.db2.gz	LDFLKWKHNZWOFP-BOPFTXTBSA-N	-1	0	421.340	3.660	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000408960158	560657690	/nfs/dbraw/zinc/65/76/90/560657690.db2.gz	CSGHMEPFDOZPLU-DEDYPNTBSA-N	-1	0	414.465	3.772	40	10		HHCBRM
O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(C(F)(F)F)=NN1c1ccccc1	ZINC000408974357	560660025	/nfs/dbraw/zinc/66/00/25/560660025.db2.gz	YFYBNPBBQRJPAB-GHXNOFRVSA-N	-1	0	422.275	3.557	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC	ZINC000408981825	560661035	/nfs/dbraw/zinc/66/10/35/560661035.db2.gz	CTYWQCAIZCVCPP-DHDCSXOGSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409010870	560665406	/nfs/dbraw/zinc/66/54/06/560665406.db2.gz	FUYRROJUWVMDNT-OKHBPPCESA-N	-1	0	415.423	3.633	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)[N-]C2=S)cc1	ZINC000409013967	560666234	/nfs/dbraw/zinc/66/62/34/560666234.db2.gz	OFGDRHPHBGEWLB-LDADJPATSA-N	-1	0	411.527	3.700	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000409021699	560666816	/nfs/dbraw/zinc/66/68/16/560666816.db2.gz	UENVHDSFCRILQG-LDADJPATSA-N	-1	0	407.813	3.503	40	10		HHCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000409100755	560677021	/nfs/dbraw/zinc/67/70/21/560677021.db2.gz	SAWVTSXYYPNDFK-SFQUDFHCSA-N	-1	0	409.486	3.566	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000409229535	560698530	/nfs/dbraw/zinc/69/85/30/560698530.db2.gz	QRFAQPAGHZHLLO-WYMLVPIESA-N	-1	0	415.902	3.755	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409236779	560699297	/nfs/dbraw/zinc/69/92/97/560699297.db2.gz	HFBOWJKFBMCGTF-COOUDCDJSA-N	-1	0	415.492	3.953	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC)c3ccccc23)C1=O	ZINC000409230484	560700123	/nfs/dbraw/zinc/70/01/23/560700123.db2.gz	DTBBDEXAGHCJIM-GHRIWEEISA-N	-1	0	403.438	3.726	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C1=O	ZINC000409230670	560700146	/nfs/dbraw/zinc/70/01/46/560700146.db2.gz	FFUDJZIGEFUHTN-BMRADRMJSA-N	-1	0	423.469	3.725	40	10		HHCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccccc2F)C1=O	ZINC000409242641	560702600	/nfs/dbraw/zinc/70/26/00/560702600.db2.gz	RXUQJECMZVKZQQ-JQIJEIRASA-N	-1	0	419.412	3.682	40	10		HHCBRM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000006354824	560741294	/nfs/dbraw/zinc/74/12/94/560741294.db2.gz	IVJSWWGGJRQEOI-NTEUORMPSA-N	-1	0	414.845	3.722	40	10		HHCBRM
CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000106754234	560746039	/nfs/dbraw/zinc/74/60/39/560746039.db2.gz	RSWPOUVCFLUAHU-SXGWCWSVSA-N	-1	0	415.423	3.633	40	10		HHCBRM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)cc2sc1=O	ZINC000225682785	568663952	/nfs/dbraw/zinc/66/39/52/568663952.db2.gz	KNIYQBGMNVVWII-UHFFFAOYSA-N	-1	0	424.503	3.632	40	10		HHCBRM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000033345495	568696796	/nfs/dbraw/zinc/69/67/96/568696796.db2.gz	PXRHMENDVUPECE-NTEUORMPSA-N	-1	0	422.076	3.673	40	10		HHCBRM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361177	569072426	/nfs/dbraw/zinc/07/24/26/569072426.db2.gz	QSCFCDMEZDKZBI-LVSMMTLPSA-N	-1	0	421.503	3.527	40	10		HHCBRM
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000027530380	569366173	/nfs/dbraw/zinc/36/61/73/569366173.db2.gz	TVRFIKDRCUJQPJ-CXUHLZMHSA-N	-1	0	400.481	3.562	40	10		HHCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000001129435	132238362	/nfs/dbraw/zinc/23/83/62/132238362.db2.gz	UOIKHWRYQSQBMU-JLHYYAGUSA-N	-1	0	404.253	3.726	40	10		HHCBRM
CCCCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1	ZINC000408526801	557288402	/nfs/dbraw/zinc/28/84/02/557288402.db2.gz	CLMWUCZFBUSTSX-NBVRZTHBSA-N	-1	0	421.453	3.531	40	10		HHCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)cn1	ZINC000013546848	558538016	/nfs/dbraw/zinc/53/80/16/558538016.db2.gz	YAXZPMBNNVKYHE-UNOMPAQXSA-N	-1	0	414.465	3.772	40	10		HHCBRM
COc1ccc(C)cc1N=Nc1c(C)[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c1=O	ZINC000104236502	559159388	/nfs/dbraw/zinc/15/93/88/559159388.db2.gz	ZXLDYHNALILNBH-AGHKFTSRSA-N	-1	0	421.457	3.538	40	10		HHCBRM
CCOc1ccc(N=Nc2c(C)[n-]n(C(=O)CC(=O)Nc3ccc(C)cc3)c2=O)cc1	ZINC000104314534	559160352	/nfs/dbraw/zinc/16/03/52/559160352.db2.gz	SPNIVWLVNYTIJT-VHAJSEAWSA-N	-1	0	421.457	3.620	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1Cl	ZINC000408771856	560639164	/nfs/dbraw/zinc/63/91/64/560639164.db2.gz	JQXDOMYWZUFFBO-XNTDXEJSSA-N	-1	0	400.887	3.878	40	10		HHCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000408799993	560642186	/nfs/dbraw/zinc/64/21/86/560642186.db2.gz	MMERGJFQRDQCPL-SDNWHVSQSA-N	-1	0	414.845	3.804	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC(C)C)c1	ZINC000408805637	560643349	/nfs/dbraw/zinc/64/33/49/560643349.db2.gz	BFBMFEYNCAQDDO-YBFXNURJSA-N	-1	0	408.454	3.766	40	10		HHCBRM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OC	ZINC000408883683	560649736	/nfs/dbraw/zinc/64/97/36/560649736.db2.gz	VKJAIOUKCVVJGH-LGMDPLHJSA-N	-1	0	408.454	3.713	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc(O)c1	ZINC000408935033	560655884	/nfs/dbraw/zinc/65/58/84/560655884.db2.gz	GBSUQPZBYZJAPB-KPKJPENVSA-N	-1	0	410.735	3.731	40	10		HHCBRM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408952228	560656949	/nfs/dbraw/zinc/65/69/49/560656949.db2.gz	LNLOTSHDTYBCNM-CPNJWEJPSA-N	-1	0	421.840	3.806	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)cc2)C1=O	ZINC000408960217	560657801	/nfs/dbraw/zinc/65/78/01/560657801.db2.gz	JTBRLUQRVNAKMM-CAPFRKAQSA-N	-1	0	403.482	3.906	40	10		HHCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1	ZINC000408960234	560657855	/nfs/dbraw/zinc/65/78/55/560657855.db2.gz	KAILITOIXSNUIF-XSFVSMFZSA-N	-1	0	405.523	3.735	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1	ZINC000408964941	560658962	/nfs/dbraw/zinc/65/89/62/560658962.db2.gz	ISPBGHWWDDTWKQ-LDADJPATSA-N	-1	0	420.856	3.809	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408981882	560660999	/nfs/dbraw/zinc/66/09/99/560660999.db2.gz	CPNSSDOIGILVNO-SDQBBNPISA-N	-1	0	420.208	3.876	40	10		HHCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O	ZINC000408984523	560661967	/nfs/dbraw/zinc/66/19/67/560661967.db2.gz	RSBMAPZIZDILJZ-MLPAPPSSSA-N	-1	0	421.236	3.682	40	10		HHCBRM
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)cc1	ZINC000409204185	560693986	/nfs/dbraw/zinc/69/39/86/560693986.db2.gz	CXFPOTRCJSDUCY-AQTBWJFISA-N	-1	0	422.437	3.528	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000409214441	560696443	/nfs/dbraw/zinc/69/64/43/560696443.db2.gz	XLEPHVKPGMQPPN-AWNIVKPZSA-N	-1	0	406.181	3.568	40	10		HHCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1	ZINC000409248065	560701837	/nfs/dbraw/zinc/70/18/37/560701837.db2.gz	JTRQEAHSVUFZLR-CXUHLZMHSA-N	-1	0	420.412	3.854	40	10		HHCBRM
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1	ZINC000002232209	560730935	/nfs/dbraw/zinc/73/09/35/560730935.db2.gz	CEKDNPRHKGMOHV-FYJGNVAPSA-N	-1	0	417.465	3.912	40	10		HHCBRM
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc21	ZINC000208445351	568445394	/nfs/dbraw/zinc/44/53/94/568445394.db2.gz	MQHPZZPGMDASII-CPNJWEJPSA-N	-1	0	401.466	3.985	40	10		HHCBRM
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000222742626	568525343	/nfs/dbraw/zinc/52/53/43/568525343.db2.gz	UJVADDUXFPNPMR-WOJBJXKFSA-N	-1	0	406.511	3.790	40	10		HHCBRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)c(C)cc21	ZINC000223359789	568546400	/nfs/dbraw/zinc/54/64/00/568546400.db2.gz	JYLSKSIFXXUEIV-UHFFFAOYSA-N	-1	0	415.496	3.847	40	10		HHCBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3)C2=O)c1	ZINC000059104859	568700512	/nfs/dbraw/zinc/70/05/12/568700512.db2.gz	PPPQZEGEODRVFY-SFQUDFHCSA-N	-1	0	410.426	3.999	40	10		HHCBRM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	ZINC000059417976	568706072	/nfs/dbraw/zinc/70/60/72/568706072.db2.gz	UOMMUQPGGUMLIN-AUWJEWJLSA-N	-1	0	403.397	3.614	40	10		HHCBRM
COc1cccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c4ccccc4n(C)c3c2)c1	ZINC000257264403	568793997	/nfs/dbraw/zinc/79/39/97/568793997.db2.gz	LUEROGSBTKIWTH-UHFFFAOYSA-N	-1	0	416.477	3.996	40	10		HHCBRM
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000107588270	569352715	/nfs/dbraw/zinc/35/27/15/569352715.db2.gz	CXEICCMMLLTYFP-XDHOZWIPSA-N	-1	0	404.422	3.882	40	10		HHCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)cc1	ZINC000006026824	569359766	/nfs/dbraw/zinc/35/97/66/569359766.db2.gz	ACQGZGNNXAVSKL-CPNJWEJPSA-N	-1	0	421.472	3.963	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12	ZINC000006258099	569359823	/nfs/dbraw/zinc/35/98/23/569359823.db2.gz	MGJBMJTYOUOHHA-XSFVSMFZSA-N	-1	0	415.449	3.695	40	10		HHCBRM
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000007209158	569360015	/nfs/dbraw/zinc/36/00/15/569360015.db2.gz	PAINCMOPQIEUEJ-GZTJUZNOSA-N	-1	0	414.508	3.622	40	10		HHCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(Br)c1	ZINC000033777243	569360497	/nfs/dbraw/zinc/36/04/97/569360497.db2.gz	BRBCAKKGIFOKJC-AQTBWJFISA-N	-1	0	408.255	3.701	40	10		HHCBRM
CCCc1nc(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000213377906	569361766	/nfs/dbraw/zinc/36/17/66/569361766.db2.gz	QSWWMHDDWHMPDG-LCYFTJDESA-N	-1	0	411.325	3.804	40	10		HHCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000002755686	132257802	/nfs/dbraw/zinc/25/78/02/132257802.db2.gz	DINGVMOGYNIKBT-GZTJUZNOSA-N	-1	0	410.426	3.998	40	10		HHCBRM
COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C(=O)[N-]C2=S)cc1	ZINC000009260347	536659078	/nfs/dbraw/zinc/65/90/78/536659078.db2.gz	AWRQXBOSAOIJJF-ZHZULCJRSA-N	-1	0	417.490	3.626	40	10		HHCBRM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNNc1cccc(Cl)c1	ZINC000408529188	557294359	/nfs/dbraw/zinc/29/43/59/557294359.db2.gz	INYNDHXGKNRNJB-SFQUDFHCSA-N	-1	0	406.829	3.577	40	10		HHCBRM
COc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)c(C(=O)[O-])c1OC	ZINC000001908022	557295763	/nfs/dbraw/zinc/29/57/63/557295763.db2.gz	SPJOZINHNGFINC-ZROIWOOFSA-N	-1	0	417.464	3.513	40	10		HHCBRM
COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000002261231	557332113	/nfs/dbraw/zinc/33/21/13/557332113.db2.gz	DPRQAHPQYRUTPT-YTBHAWNYSA-N	-1	0	415.492	3.731	40	10		HHCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CN[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1	ZINC000035430863	557560181	/nfs/dbraw/zinc/56/01/81/557560181.db2.gz	ZIJZQFADSMDGSP-IZWFJMSSSA-N	-1	0	409.530	3.883	40	10		HHCBRM
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000016160727	558774380	/nfs/dbraw/zinc/77/43/80/558774380.db2.gz	FGXVCOOPQFOUOZ-DHDCSXOGSA-N	-1	0	416.231	3.571	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	ZINC000083324772	558833657	/nfs/dbraw/zinc/83/36/57/558833657.db2.gz	HYGOXJRZVVDATN-DEDYPNTBSA-N	-1	0	402.406	3.521	40	10		HHCBRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000260455466	559288119	/nfs/dbraw/zinc/28/81/19/559288119.db2.gz	UOYHPQFKRNPNQR-DLBZAZTESA-N	-1	0	415.559	3.785	40	10		HHCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000005373874	560574531	/nfs/dbraw/zinc/57/45/31/560574531.db2.gz	JOEKMCMKTOQUPK-IUKMRGAGSA-N	-1	0	404.307	3.743	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccnc1	ZINC000408778989	560640787	/nfs/dbraw/zinc/64/07/87/560640787.db2.gz	OLJCZEQDXYFEIG-UDWIEESQSA-N	-1	0	414.465	3.772	40	10		HHCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C1CCCC1	ZINC000408782078	560641137	/nfs/dbraw/zinc/64/11/37/560641137.db2.gz	GZSBGBVXFKBOSD-VCHYOVAHSA-N	-1	0	421.453	3.615	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OCC	ZINC000408804269	560643093	/nfs/dbraw/zinc/64/30/93/560643093.db2.gz	WSRVPQQGQSOXSJ-SDNWHVSQSA-N	-1	0	414.845	3.804	40	10		HHCBRM
CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000408857340	560647394	/nfs/dbraw/zinc/64/73/94/560647394.db2.gz	LZXFWMKKPIQKEP-RIYZIHGNSA-N	-1	0	418.808	3.553	40	10		HHCBRM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cccc1OC	ZINC000408895915	560650695	/nfs/dbraw/zinc/65/06/95/560650695.db2.gz	GBVKJNHMGAAMRN-VUODPORTSA-N	-1	0	408.454	3.847	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)[N-]C1=S	ZINC000408961050	560658135	/nfs/dbraw/zinc/65/81/35/560658135.db2.gz	QKRZDQISNVPFAA-XDJHFCHBSA-N	-1	0	405.523	3.817	40	10		HHCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1Cl	ZINC000408985963	560661641	/nfs/dbraw/zinc/66/16/41/560661641.db2.gz	LGDBVRSTXWVTKV-QPEQYQDCSA-N	-1	0	420.208	3.876	40	10		HHCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OC	ZINC000409107682	560678802	/nfs/dbraw/zinc/67/88/02/560678802.db2.gz	TVOFMEFWZNEMCZ-PKNBQFBNSA-N	-1	0	421.236	3.677	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)c(OCC)c1	ZINC000409221346	560698763	/nfs/dbraw/zinc/69/87/63/560698763.db2.gz	OZLSLVRRTNDOEV-GHRIWEEISA-N	-1	0	424.453	3.549	40	10		HHCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)o1	ZINC000409236165	560699060	/nfs/dbraw/zinc/69/90/60/560699060.db2.gz	DOUGSIVFNSBAFK-VQHVLOKHSA-N	-1	0	411.664	3.527	40	10		HHCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)cc1OCC	ZINC000409237445	560699404	/nfs/dbraw/zinc/69/94/04/560699404.db2.gz	ISYGPWNGWZDAFD-DTQAZKPQSA-N	-1	0	424.453	3.549	40	10		HHCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)[N-]C1=S	ZINC000409239503	560699819	/nfs/dbraw/zinc/69/98/19/560699819.db2.gz	NVOMHELAPFHGLT-QGOAFFKASA-N	-1	0	423.513	3.956	40	10		HHCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccn1	ZINC000409233250	560700778	/nfs/dbraw/zinc/70/07/78/560700778.db2.gz	DXHQTOYWSVDWSX-CPNJWEJPSA-N	-1	0	414.465	3.772	40	10		HHCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccn3)c2C)C1=O	ZINC000409241405	560702303	/nfs/dbraw/zinc/70/23/03/560702303.db2.gz	XHCPUYDNVLMHHX-XMHGGMMESA-N	-1	0	414.465	3.718	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1OCC(=O)[O-]	ZINC000409334331	560710722	/nfs/dbraw/zinc/71/07/22/560710722.db2.gz	XDHWFYRVNLHIGG-GDNBJRDFSA-N	-1	0	407.513	3.693	40	10		HHCBRM
COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409342742	560711688	/nfs/dbraw/zinc/71/16/88/560711688.db2.gz	FFQNAGWKGLWDHE-YBEGLDIGSA-N	-1	0	415.492	3.560	40	10		HHCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C	ZINC000409403695	560721807	/nfs/dbraw/zinc/72/18/07/560721807.db2.gz	AQSCPZJSCIAGKV-YBEGLDIGSA-N	-1	0	400.862	3.987	40	10		HHCBRM
O=C1/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])SC(=S)N1c1ccccc1	ZINC000059422900	568706241	/nfs/dbraw/zinc/70/62/41/568706241.db2.gz	KAIMCSARKKEQRE-NTUHNPAUSA-N	-1	0	403.397	3.614	40	10		HHCBRM
O=C([O-])c1cccc(F)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1O	ZINC000257219124	568781634	/nfs/dbraw/zinc/78/16/34/568781634.db2.gz	DFRLQLWBWMXMKY-UHFFFAOYSA-N	-1	0	409.413	3.837	40	10		HHCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1	ZINC000107914299	569353143	/nfs/dbraw/zinc/35/31/43/569353143.db2.gz	HJDMUSLTNDRXQN-UDWIEESQSA-N	-1	0	420.396	3.660	40	10		HHCBRM
CCc1nnc(S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000007365639	569359956	/nfs/dbraw/zinc/35/99/56/569359956.db2.gz	WXCGUNBECIGERQ-RVDMUPIBSA-N	-1	0	404.448	3.748	40	10		HHCBRM
CCCc1nc(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000007342368	569360030	/nfs/dbraw/zinc/36/00/30/569360030.db2.gz	SQQFNXQDLRWJIK-FOWTUZBSSA-N	-1	0	417.491	3.874	40	10		HHCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC(C)(C)C	ZINC000107837527	569361058	/nfs/dbraw/zinc/36/10/58/569361058.db2.gz	XGCADVHDQKUJMP-GDNBJRDFSA-N	-1	0	400.862	3.987	40	10		HHCBRM