smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1	ZINC000054360611	193930671	/nfs/dbraw/zinc/93/06/71/193930671.db2.gz	SGWJXZSQOOKPQG-WQRHYEAKSA-N	-1	0	425.462	5.190	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1	ZINC000009323176	132313700	/nfs/dbraw/zinc/31/37/00/132313700.db2.gz	LCKDJEXJXTZHAP-MOSHPQCFSA-N	-1	0	432.501	5.022	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H](c1ccccc1)CCN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000009761230	132328409	/nfs/dbraw/zinc/32/84/09/132328409.db2.gz	VXYAZKHVXNXSCN-LNEBKTTKSA-N	-1	0	441.958	6.795	40	10		IKCBRM
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000016160938	520895805	/nfs/dbraw/zinc/89/58/05/520895805.db2.gz	SJLJVLSSJWDGOI-BOPFTXTBSA-N	-1	0	441.270	5.758	40	10		IKCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000012274901	521125394	/nfs/dbraw/zinc/12/53/94/521125394.db2.gz	RQTWZWGQENEVSP-QAEAHILHSA-N	-1	0	435.954	5.445	40	10		IKCBRM
N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21	ZINC000041083589	526835859	/nfs/dbraw/zinc/83/58/59/526835859.db2.gz	HCRQUGDYKDKIDQ-KFQNLNRXSA-N	-1	0	434.279	5.142	40	10		IKCBRM
[O-]c1c(Cl)cc(Cl)cc1C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCCCC1	ZINC000001679492	555709221	/nfs/dbraw/zinc/70/92/21/555709221.db2.gz	VGZBEVNPISKBMY-UHFFFAOYSA-N	-1	0	449.205	7.046	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1C	ZINC000408536461	555772082	/nfs/dbraw/zinc/77/20/82/555772082.db2.gz	WOALHUIMILIVGB-CQDMZVLKSA-N	-1	0	439.475	5.298	40	10		IKCBRM
Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1N1CCCC1	ZINC000408633932	556009510	/nfs/dbraw/zinc/00/95/10/556009510.db2.gz	NSPGTZXGLNSFGV-CPNJWEJPSA-N	-1	0	440.956	5.252	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1	ZINC000408739963	556211256	/nfs/dbraw/zinc/21/12/56/556211256.db2.gz	HAWJFOJBCNNQAE-WJDWOHSUSA-N	-1	0	441.270	5.228	40	10		IKCBRM
COc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O	ZINC000008765554	556211941	/nfs/dbraw/zinc/21/19/41/556211941.db2.gz	RNKYEPNINMTQDA-MNDPQUGUSA-N	-1	0	435.611	5.492	40	10		IKCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000008821411	556222459	/nfs/dbraw/zinc/22/24/59/556222459.db2.gz	UOQKIMZCLURQLW-ADFUCPMPSA-N	-1	0	435.954	5.301	40	10		IKCBRM
CCc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008821606	556223361	/nfs/dbraw/zinc/22/33/61/556223361.db2.gz	INERLSAFBQRZFF-JZJYNLBNSA-N	-1	0	433.639	6.046	40	10		IKCBRM
O=C([O-])c1cc(N2C(=O)/C(=C\c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Cl	ZINC000009262084	556269280	/nfs/dbraw/zinc/26/92/80/556269280.db2.gz	DMWXCVMVLFOJNO-ATVHPVEESA-N	-1	0	436.294	6.163	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408868436	556460544	/nfs/dbraw/zinc/46/05/44/556460544.db2.gz	ORJRKUFRMPFTEK-HZHRSRAPSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)cc1Cl	ZINC000408872291	556463397	/nfs/dbraw/zinc/46/33/97/556463397.db2.gz	CPDBTUSJBOZZCS-DEDYPNTBSA-N	-1	0	448.881	5.045	40	10		IKCBRM
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408895291	556480510	/nfs/dbraw/zinc/48/05/10/556480510.db2.gz	DRIUEALYBJONGZ-MMTNMYCKSA-N	-1	0	442.515	5.300	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(C)C	ZINC000408900507	556487646	/nfs/dbraw/zinc/48/76/46/556487646.db2.gz	TYZGDPZQYDFCGS-HZHRSRAPSA-N	-1	0	441.531	5.192	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(C)C	ZINC000408902883	556490285	/nfs/dbraw/zinc/49/02/85/556490285.db2.gz	MXAVCXWJIIJQIE-HYARGMPZSA-N	-1	0	445.494	5.023	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408903113	556490537	/nfs/dbraw/zinc/49/05/37/556490537.db2.gz	UQOOOVMMKFFOFD-FYJGNVAPSA-N	-1	0	448.569	5.507	40	10		IKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000032121230	556533482	/nfs/dbraw/zinc/53/34/82/556533482.db2.gz	DJUGLURHSYCLHC-IMSXRSKXSA-N	-1	0	431.919	6.444	40	10		IKCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=C1C(C)=NN(c2ccccc2)C1=O)c1ccccc1	ZINC000016249344	556594508	/nfs/dbraw/zinc/59/45/08/556594508.db2.gz	PSFJDPBSUSQRHP-IZHYLOQSSA-N	-1	0	434.499	5.111	40	10		IKCBRM
CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000016610424	556617621	/nfs/dbraw/zinc/61/76/21/556617621.db2.gz	UGYAXVWQMBJZHI-MFVBVHDHSA-N	-1	0	444.940	5.198	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000083297173	556663092	/nfs/dbraw/zinc/66/30/92/556663092.db2.gz	GZIPMIGOIWPLLT-XSFVSMFZSA-N	-1	0	432.863	5.426	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000083297113	556663158	/nfs/dbraw/zinc/66/31/58/556663158.db2.gz	SYOUUJFAANWGMW-LFIBNONCSA-N	-1	0	427.243	5.760	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)[O-])c3)C2=O)cc1	ZINC000408983445	556666442	/nfs/dbraw/zinc/66/64/42/556666442.db2.gz	BRXOCPZWYCENDL-XMHGGMMESA-N	-1	0	445.902	5.908	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C)c1	ZINC000408985545	556687184	/nfs/dbraw/zinc/68/71/84/556687184.db2.gz	KZLGQTAZYVNFTO-MTJSOVHGSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000409001912	556711240	/nfs/dbraw/zinc/71/12/40/556711240.db2.gz	XVBIYBPTPNMPFD-SRZZPIQSSA-N	-1	0	446.572	5.191	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1	ZINC000409013651	556716804	/nfs/dbraw/zinc/71/68/04/556716804.db2.gz	CHTDMFWZIDLMBO-XNTDXEJSSA-N	-1	0	445.233	5.059	40	10		IKCBRM
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O	ZINC000409016324	556719936	/nfs/dbraw/zinc/71/99/36/556719936.db2.gz	TVWMKPNIHQIUFI-PBFYJAPKSA-N	-1	0	432.929	5.281	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)[N-]C2=S)c1	ZINC000409018465	556721907	/nfs/dbraw/zinc/72/19/07/556721907.db2.gz	WVZSFYWHNJKDJY-HYARGMPZSA-N	-1	0	444.556	5.075	40	10		IKCBRM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	ZINC000000884981	556735130	/nfs/dbraw/zinc/73/51/30/556735130.db2.gz	KLBKHYVFGYZOPM-LDADJPATSA-N	-1	0	439.298	5.034	40	10		IKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21	ZINC000408828483	556866447	/nfs/dbraw/zinc/86/64/47/556866447.db2.gz	MZBBCYWJLFRUEM-MTJIALIYSA-N	-1	0	428.282	5.011	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409142481	556873557	/nfs/dbraw/zinc/87/35/57/556873557.db2.gz	LONRBDWUXSVNGN-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000408875091	556874522	/nfs/dbraw/zinc/87/45/22/556874522.db2.gz	CVNSRQZHCKHLFI-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000409145937	556874690	/nfs/dbraw/zinc/87/46/90/556874690.db2.gz	QVIHUDSTSFYKFE-LFIBNONCSA-N	-1	0	433.291	5.048	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)cc2)C1=O	ZINC000408870038	556874752	/nfs/dbraw/zinc/87/47/52/556874752.db2.gz	UNOCQBVJQAITIQ-XMHGGMMESA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)cc2)C1=O	ZINC000408870948	556874942	/nfs/dbraw/zinc/87/49/42/556874942.db2.gz	WDTYNINKKJZOFN-DEDYPNTBSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c(C)c1	ZINC000408871024	556874984	/nfs/dbraw/zinc/87/49/84/556874984.db2.gz	XGVUGBICEOXQLW-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	ZINC000408902323	556885231	/nfs/dbraw/zinc/88/52/31/556885231.db2.gz	MZMAQKBFDOHHQF-KGENOOAVSA-N	-1	0	447.537	5.370	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)ccc1Cl	ZINC000408940024	556896464	/nfs/dbraw/zinc/89/64/64/556896464.db2.gz	BQQIIQALLGHQDT-UHFFFAOYSA-N	-1	0	439.136	6.231	40	10		IKCBRM
O=C1/C(=C\c2cc(Br)cc(Cl)c2[O-])C(C(F)(F)F)=NN1c1ccccc1	ZINC000408969798	556904339	/nfs/dbraw/zinc/90/43/39/556904339.db2.gz	UUNOWSRQMYDGGI-GHXNOFRVSA-N	-1	0	445.622	5.157	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1	ZINC000408974444	556905164	/nfs/dbraw/zinc/90/51/64/556905164.db2.gz	ZGJUNJWUCWRKLL-PDGQHHTCSA-N	-1	0	440.377	5.302	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)cc(Br)c2[O-])C(C(F)(F)F)=NN1c1ccccc1	ZINC000408972816	556907497	/nfs/dbraw/zinc/90/74/97/556907497.db2.gz	VWKSCUJUMDJGQG-GHXNOFRVSA-N	-1	0	445.622	5.157	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)cc1Cl	ZINC000408986993	556909843	/nfs/dbraw/zinc/90/98/43/556909843.db2.gz	NYWNGNYXFCHMJW-HMAPJEAMSA-N	-1	0	440.886	5.621	40	10		IKCBRM
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3Cl)c2C)C1=O	ZINC000409012632	556918587	/nfs/dbraw/zinc/91/85/87/556918587.db2.gz	QZOLWQMSBAOHRY-VDCVXVNISA-N	-1	0	432.929	5.281	40	10		IKCBRM
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc([S-])c2ccccc12	ZINC000409042336	556929478	/nfs/dbraw/zinc/92/94/78/556929478.db2.gz	KGFKMMUACZMHLW-MDWZMJQESA-N	-1	0	434.389	5.630	40	10		IKCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C	ZINC000409104007	556952617	/nfs/dbraw/zinc/95/26/17/556952617.db2.gz	YBHZEAGUBQPJTD-XNTDXEJSSA-N	-1	0	447.318	5.100	40	10		IKCBRM
CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21	ZINC000409109203	556956897	/nfs/dbraw/zinc/95/68/97/556956897.db2.gz	ZMESPYGJCNUBGL-XNTDXEJSSA-N	-1	0	442.302	5.195	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000409160216	556974780	/nfs/dbraw/zinc/97/47/80/556974780.db2.gz	DVRFJIMTDYAEGP-RVDMUPIBSA-N	-1	0	433.291	5.048	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000409154532	556979160	/nfs/dbraw/zinc/97/91/60/556979160.db2.gz	KGPOYMYHPINURS-WOVHNISZSA-N	-1	0	427.569	6.812	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	ZINC000409170114	556982678	/nfs/dbraw/zinc/98/26/78/556982678.db2.gz	SZEIUUVBQHVDJL-YRVVQQKDSA-N	-1	0	444.325	5.299	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1	ZINC000409228558	557015251	/nfs/dbraw/zinc/01/52/51/557015251.db2.gz	BNWNVTKNOQAQRO-CPNJWEJPSA-N	-1	0	448.569	5.187	40	10		IKCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409237076	557018798	/nfs/dbraw/zinc/01/87/98/557018798.db2.gz	VUTMEDJKWAYAIW-DEDYPNTBSA-N	-1	0	434.492	5.040	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000409230806	557022639	/nfs/dbraw/zinc/02/26/39/557022639.db2.gz	GTUMQCQFSNXWBC-RVDMUPIBSA-N	-1	0	443.311	5.085	40	10		IKCBRM
Cc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409212443	557026190	/nfs/dbraw/zinc/02/61/90/557026190.db2.gz	QCOHOIKGJLCJGO-XKZIYDEJSA-N	-1	0	446.528	5.337	40	10		IKCBRM
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1	ZINC000409246038	557027589	/nfs/dbraw/zinc/02/75/89/557027589.db2.gz	CYLRCTUYZCCAGF-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	ZINC000409246884	557028608	/nfs/dbraw/zinc/02/86/08/557028608.db2.gz	KOPYYCCSBPHSEA-RVDMUPIBSA-N	-1	0	443.311	5.085	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)c1	ZINC000409248831	557029749	/nfs/dbraw/zinc/02/97/49/557029749.db2.gz	RJMGPWVIAJMCJX-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
CCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408527122	557030306	/nfs/dbraw/zinc/03/03/06/557030306.db2.gz	ATAPTQLGLZVUSH-GZTJUZNOSA-N	-1	0	447.318	5.147	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C	ZINC000408530419	557030489	/nfs/dbraw/zinc/03/04/89/557030489.db2.gz	LSBUYYHFGHXPNX-YBEGLDIGSA-N	-1	0	443.301	5.001	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1	ZINC000409241550	557031577	/nfs/dbraw/zinc/03/15/77/557031577.db2.gz	YGWMVXZVJLOLQS-HZHRSRAPSA-N	-1	0	442.540	5.429	40	10		IKCBRM
CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408538731	557033077	/nfs/dbraw/zinc/03/30/77/557033077.db2.gz	PWQHUKHTFHJWAB-XMHGGMMESA-N	-1	0	444.890	5.105	40	10		IKCBRM
CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408539578	557033908	/nfs/dbraw/zinc/03/39/08/557033908.db2.gz	XRSYQSAEQZQXEE-XSFVSMFZSA-N	-1	0	440.927	5.274	40	10		IKCBRM
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409231455	557058528	/nfs/dbraw/zinc/05/85/28/557058528.db2.gz	KIZWVDJZYDPZFG-WNSCPLKPSA-N	-1	0	444.556	5.157	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccccc3)o2)C1=O	ZINC000409231716	557058559	/nfs/dbraw/zinc/05/85/59/557058559.db2.gz	LQMFVGWNLBIVLV-FOWTUZBSSA-N	-1	0	438.892	5.059	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000408600548	557064531	/nfs/dbraw/zinc/06/45/31/557064531.db2.gz	CWNAKLQGBNRYHY-XNTDXEJSSA-N	-1	0	445.233	5.059	40	10		IKCBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)o1	ZINC000409330688	557064984	/nfs/dbraw/zinc/06/49/84/557064984.db2.gz	MAQORXYSZFTFSX-YBFXNURJSA-N	-1	0	439.489	5.498	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000408601486	557068586	/nfs/dbraw/zinc/06/85/86/557068586.db2.gz	KFWSSFBDGNPXTR-GDNBJRDFSA-N	-1	0	445.233	5.059	40	10		IKCBRM
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n[nH]1	ZINC000408631665	557073205	/nfs/dbraw/zinc/07/32/05/557073205.db2.gz	LDBHAIVKZKRGIA-PXNMLYILSA-N	-1	0	437.352	5.299	40	10		IKCBRM
Cc1cc(N2CCCC2)ccc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408631954	557073324	/nfs/dbraw/zinc/07/33/24/557073324.db2.gz	BPISTXAITSLTOI-CPNJWEJPSA-N	-1	0	441.940	5.516	40	10		IKCBRM
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000408635046	557076849	/nfs/dbraw/zinc/07/68/49/557076849.db2.gz	XFIJGUGSHSDGRF-NDENLUEZSA-N	-1	0	435.461	5.361	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1	ZINC000409235530	557076880	/nfs/dbraw/zinc/07/68/80/557076880.db2.gz	CAGFJVVZQMWOHG-FYJGNVAPSA-N	-1	0	448.931	5.466	40	10		IKCBRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl	ZINC000409238161	557079243	/nfs/dbraw/zinc/07/92/43/557079243.db2.gz	WADWZFRAYGQEKC-JXCQQFQQSA-N	-1	0	447.318	5.146	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	ZINC000208230439	557079794	/nfs/dbraw/zinc/07/97/94/557079794.db2.gz	NTKPWPZOCPPJEF-ZFJBLLOBSA-N	-1	0	445.563	5.000	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	ZINC000409247443	557080301	/nfs/dbraw/zinc/08/03/01/557080301.db2.gz	HHWRNMRJAMSOEW-PXLXIMEGSA-N	-1	0	428.513	5.121	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)cc1	ZINC000208305775	557080519	/nfs/dbraw/zinc/08/05/19/557080519.db2.gz	HJHFRUGTUQLLQB-HINJULBWSA-N	-1	0	445.563	5.028	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1	ZINC000409329012	557111445	/nfs/dbraw/zinc/11/14/45/557111445.db2.gz	CAOFCRMQDPPRMN-UDWIEESQSA-N	-1	0	435.526	5.355	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000100525454	557114795	/nfs/dbraw/zinc/11/47/95/557114795.db2.gz	UIRCWNMDXGEWQD-AWZKZOKMSA-N	-1	0	440.872	5.247	40	10		IKCBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1	ZINC000409348451	557128853	/nfs/dbraw/zinc/12/88/53/557128853.db2.gz	SUFFEBQGNWLZBK-XDHOZWIPSA-N	-1	0	427.547	5.487	40	10		IKCBRM
O=C1[N-]N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000003040886	557135772	/nfs/dbraw/zinc/13/57/72/557135772.db2.gz	IEAVLOZWLSVVRQ-HYARGMPZSA-N	-1	0	432.401	5.473	40	10		IKCBRM
CC(=Nc1ncccc1C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000103920773	557141004	/nfs/dbraw/zinc/14/10/04/557141004.db2.gz	LPNXBINWHWOIGP-SILNSSARSA-N	-1	0	425.517	5.137	40	10		IKCBRM
COc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	ZINC000408736140	557143862	/nfs/dbraw/zinc/14/38/62/557143862.db2.gz	HVERZRSGLBATNF-SWYRRKHMSA-N	-1	0	427.500	5.799	40	10		IKCBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)o1	ZINC000408743771	557149416	/nfs/dbraw/zinc/14/94/16/557149416.db2.gz	VDEFXHSKCUQXMX-SDNWHVSQSA-N	-1	0	437.245	5.389	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)c1	ZINC000106681103	557156626	/nfs/dbraw/zinc/15/66/26/557156626.db2.gz	GEMAMYKBCVUSJM-ODLFYWEKSA-N	-1	0	439.876	5.535	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)[O-])cc3C)C2=O)cc1	ZINC000408762166	557176266	/nfs/dbraw/zinc/17/62/66/557176266.db2.gz	NLJFZQZOGNCONF-ZHZULCJRSA-N	-1	0	445.902	5.827	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000408764842	557182706	/nfs/dbraw/zinc/18/27/06/557182706.db2.gz	TUPBULCCJCKOCS-UYRXBGFRSA-N	-1	0	431.875	5.518	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000408768707	557193664	/nfs/dbraw/zinc/19/36/64/557193664.db2.gz	IINHIWCDCVMFRF-PCLIKHOPSA-N	-1	0	449.510	5.222	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1	ZINC000408776726	557201124	/nfs/dbraw/zinc/20/11/24/557201124.db2.gz	QBDQAJBDPFXZSR-HKOYGPOVSA-N	-1	0	447.494	5.119	40	10		IKCBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1	ZINC000112290182	557238972	/nfs/dbraw/zinc/23/89/72/557238972.db2.gz	HEUPTMJUTWNVJE-PLRJNAJWSA-N	-1	0	427.573	6.727	40	10		IKCBRM
CC(=Nc1cc(Cl)ccc1Oc1ccccc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112293553	557239230	/nfs/dbraw/zinc/23/92/30/557239230.db2.gz	ZLPHCADOOXBMCG-HAHDFKILSA-N	-1	0	435.886	6.380	40	10		IKCBRM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1	ZINC000112296328	557239724	/nfs/dbraw/zinc/23/97/24/557239724.db2.gz	FAQARHUXCOIODJ-BWAHOGKJSA-N	-1	0	445.563	6.866	40	10		IKCBRM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2C(=O)[O-])o1	ZINC000408842609	557262852	/nfs/dbraw/zinc/26/28/52/557262852.db2.gz	OXSXSVCWBLAGBW-WOJGMQOQSA-N	-1	0	441.270	5.758	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100524933	557263327	/nfs/dbraw/zinc/26/33/27/557263327.db2.gz	HBSIOLKTUUJOJG-PZPYUUCDSA-N	-1	0	444.347	6.300	40	10		IKCBRM
O=C1C=Cc2ccccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000100589768	557265632	/nfs/dbraw/zinc/26/56/32/557265632.db2.gz	LEYJJTBJCFGAQN-HXEHWPEMSA-N	-1	0	432.461	6.623	40	10		IKCBRM
O=C1C=Cc2ccccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000100589771	557265695	/nfs/dbraw/zinc/26/56/95/557265695.db2.gz	LEYJJTBJCFGAQN-RIIXPHEHSA-N	-1	0	432.461	6.623	40	10		IKCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1	ZINC000104388961	557326022	/nfs/dbraw/zinc/32/60/22/557326022.db2.gz	ANKNQAUREHXSDZ-HXEHWPEMSA-N	-1	0	432.461	6.623	40	10		IKCBRM
Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104389029	557326052	/nfs/dbraw/zinc/32/60/52/557326052.db2.gz	RYASJVSJGCGYQA-LBXGSASVSA-N	-1	0	427.420	6.483	40	10		IKCBRM
O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2ccccc21	ZINC000104389427	557326408	/nfs/dbraw/zinc/32/64/08/557326408.db2.gz	PSQAMBOKSPAGRZ-RUFRKCMOSA-N	-1	0	432.461	6.623	40	10		IKCBRM
O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2ccccc21	ZINC000104389432	557326451	/nfs/dbraw/zinc/32/64/51/557326451.db2.gz	PSQAMBOKSPAGRZ-RIIXPHEHSA-N	-1	0	432.461	6.623	40	10		IKCBRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000222700147	557375801	/nfs/dbraw/zinc/37/58/01/557375801.db2.gz	DYUQYWLLJGAXCP-CDNPAEQRSA-N	-1	0	446.576	5.167	40	10		IKCBRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000222700037	557375868	/nfs/dbraw/zinc/37/58/68/557375868.db2.gz	DYUQYWLLJGAXCP-OFAXGOBFSA-N	-1	0	446.576	5.167	40	10		IKCBRM
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1	ZINC000223441288	557472575	/nfs/dbraw/zinc/47/25/75/557472575.db2.gz	VGTIUMMBPALHMX-UHFFFAOYSA-N	-1	0	431.391	5.640	40	10		IKCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	ZINC000016477947	557474237	/nfs/dbraw/zinc/47/42/37/557474237.db2.gz	KFTZCQHKBUJKJW-LDADJPATSA-N	-1	0	436.294	6.163	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)c1	ZINC000223483523	557477459	/nfs/dbraw/zinc/47/74/59/557477459.db2.gz	ULVWYBJERGICLP-HYARGMPZSA-N	-1	0	443.547	5.072	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1	ZINC000223483442	557477494	/nfs/dbraw/zinc/47/74/94/557477494.db2.gz	MUXYBSRZVJQLMT-HYARGMPZSA-N	-1	0	443.547	5.072	40	10		IKCBRM
Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223601026	557490533	/nfs/dbraw/zinc/49/05/33/557490533.db2.gz	DGVHJIVOVHYWND-OVBDPADQSA-N	-1	0	445.563	5.162	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033331097	557807444	/nfs/dbraw/zinc/80/74/44/557807444.db2.gz	ZWQIVBBFJVJUOZ-CIAFOILYSA-N	-1	0	447.922	5.871	40	10		IKCBRM
Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1	ZINC000059135108	557815066	/nfs/dbraw/zinc/81/50/66/557815066.db2.gz	WTDDFVHEIMGBTL-HYARGMPZSA-N	-1	0	430.435	5.220	40	10		IKCBRM
CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1	ZINC000059135348	557815350	/nfs/dbraw/zinc/81/53/50/557815350.db2.gz	KLXZVWSEUJRWRO-HYARGMPZSA-N	-1	0	447.466	5.139	40	10		IKCBRM
Cc1cccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000059135645	557815535	/nfs/dbraw/zinc/81/55/35/557815535.db2.gz	AALOYXQHSSAESY-KGENOOAVSA-N	-1	0	430.435	5.220	40	10		IKCBRM
Cc1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135643	557815583	/nfs/dbraw/zinc/81/55/83/557815583.db2.gz	CKLQLTXVBLXWMV-KGENOOAVSA-N	-1	0	430.435	5.220	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C)c1	ZINC000059135925	557815598	/nfs/dbraw/zinc/81/55/98/557815598.db2.gz	VGTJXULBSOWIPO-CPNJWEJPSA-N	-1	0	433.508	5.213	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	ZINC000059135723	557815604	/nfs/dbraw/zinc/81/56/04/557815604.db2.gz	LKCVRKPALNDONP-XMHGGMMESA-N	-1	0	432.476	5.076	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000059137201	557815844	/nfs/dbraw/zinc/81/58/44/557815844.db2.gz	NILMIRXARYDCHA-FYJGNVAPSA-N	-1	0	447.535	5.522	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137396	557816030	/nfs/dbraw/zinc/81/60/30/557816030.db2.gz	LUZGGHQUGIFTFM-WSDLNYQXSA-N	-1	0	431.467	5.357	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000059137204	557816081	/nfs/dbraw/zinc/81/60/81/557816081.db2.gz	PLCKICBGKYVHPM-FYJGNVAPSA-N	-1	0	431.467	5.357	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000059137937	557816099	/nfs/dbraw/zinc/81/60/99/557816099.db2.gz	VWXAIYJOJNOLHM-LDADJPATSA-N	-1	0	438.892	5.899	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000059138106	557816342	/nfs/dbraw/zinc/81/63/42/557816342.db2.gz	NQLZVYQEOFNFGB-SDNWHVSQSA-N	-1	0	434.279	5.083	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	ZINC000059862198	557827828	/nfs/dbraw/zinc/82/78/28/557827828.db2.gz	FAHZKBXNJOQPOS-FYJGNVAPSA-N	-1	0	432.863	5.426	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(C)C)C1=O	ZINC000059860493	557827852	/nfs/dbraw/zinc/82/78/52/557827852.db2.gz	UHKFNGKBAJBJJF-LFIBNONCSA-N	-1	0	443.297	5.051	40	10		IKCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(Br)o1	ZINC000059956917	557827862	/nfs/dbraw/zinc/82/78/62/557827862.db2.gz	CFOVKJMJOCYYDJ-SOFGYWHQSA-N	-1	0	446.109	5.021	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	ZINC000002209590	569194048	/nfs/dbraw/zinc/19/40/48/569194048.db2.gz	BQVAAFIAQUBTKY-BUVRLJJBSA-N	-1	0	449.510	5.813	40	10		IKCBRM
CCN1C(=O)/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)SC1=S	ZINC000033710182	569259610	/nfs/dbraw/zinc/25/96/10/569259610.db2.gz	FUBLUXREKKCARS-BKUYFWCQSA-N	-1	0	449.553	5.338	40	10		IKCBRM
Cc1ccc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)[N-]C2=S)c(C)c1	ZINC000033735435	569259818	/nfs/dbraw/zinc/25/98/18/569259818.db2.gz	PSVURUCLSHTWFF-LDADJPATSA-N	-1	0	437.540	5.023	40	10		IKCBRM
O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)ccc1Cl	ZINC000208706500	569261374	/nfs/dbraw/zinc/26/13/74/569261374.db2.gz	QQOPCTDDBZZLEI-WQRHYEAKSA-N	-1	0	441.917	5.704	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C	ZINC000260562447	569281194	/nfs/dbraw/zinc/28/11/94/569281194.db2.gz	AAWBSGAVXRVQGX-MNOULKQQSA-N	-1	0	445.563	5.000	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1C1CCCCC1	ZINC000009056616	132226448	/nfs/dbraw/zinc/22/64/48/132226448.db2.gz	IXDJAXFKQQGXGS-XQNSMLJCSA-N	-1	0	447.579	5.574	40	10		IKCBRM
COc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N([C@H](C)c4ccccc4)C3=O)o2)cc1	ZINC000041108828	525112894	/nfs/dbraw/zinc/11/28/94/525112894.db2.gz	QRVQPWUJRTZFHP-KWPCUBQOSA-N	-1	0	448.500	5.503	40	10		IKCBRM
COc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N([C@@H](C)c4ccccc4)C3=O)o2)cc1	ZINC000041108827	525113630	/nfs/dbraw/zinc/11/36/30/525113630.db2.gz	QRVQPWUJRTZFHP-CPOQMQJTSA-N	-1	0	448.500	5.503	40	10		IKCBRM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000012032573	527577881	/nfs/dbraw/zinc/57/78/81/527577881.db2.gz	ZOVUVKSMTVZVFP-HMMYKYKNSA-N	-1	0	444.622	5.965	40	10		IKCBRM
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000001805118	555717236	/nfs/dbraw/zinc/71/72/36/555717236.db2.gz	QKGYQYGCEPXQGO-ATVHPVEESA-N	-1	0	435.954	5.446	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1	ZINC000002169695	555751884	/nfs/dbraw/zinc/75/18/84/555751884.db2.gz	FOQIRFZXAPGBQP-RGVLZGJSSA-N	-1	0	437.448	5.329	40	10		IKCBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000408586617	555939193	/nfs/dbraw/zinc/93/91/93/555939193.db2.gz	PGZNNFZVSGQFMS-UHFFFAOYSA-N	-1	0	436.316	5.034	40	10		IKCBRM
O=C([O-])/C(=C\c1ccc(N2CCCCC2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632056	556004342	/nfs/dbraw/zinc/00/43/42/556004342.db2.gz	CZJFYUOSBCGZFB-XMHGGMMESA-N	-1	0	441.940	5.598	40	10		IKCBRM
Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1	ZINC000408635031	556012220	/nfs/dbraw/zinc/01/22/20/556012220.db2.gz	WXZRPZDZHSWVFS-JMIUGGIZSA-N	-1	0	441.915	5.981	40	10		IKCBRM
O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)c1ccccc1	ZINC000004804173	556012529	/nfs/dbraw/zinc/01/25/29/556012529.db2.gz	KQVIHDHUXAVUES-OCEACIFDSA-N	-1	0	447.472	5.460	40	10		IKCBRM
O=C([O-])c1ccc2c(c1Sc1cc(Cl)ccc1Cl)C(=O)c1ccccc1C2=O	ZINC000005015100	556028274	/nfs/dbraw/zinc/02/82/74/556028274.db2.gz	BQXFDVFPUZLNIZ-UHFFFAOYSA-N	-1	0	429.280	5.618	40	10		IKCBRM
CC(C)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008821559	556223084	/nfs/dbraw/zinc/22/30/84/556223084.db2.gz	LGDNUEUNBVRAKC-FXBPSFAMSA-N	-1	0	447.666	6.607	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1	ZINC000008821803	556223658	/nfs/dbraw/zinc/22/36/58/556223658.db2.gz	HYELTKQPBGQLRP-YBFXNURJSA-N	-1	0	438.892	5.689	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1C	ZINC000408857005	556447030	/nfs/dbraw/zinc/44/70/30/556447030.db2.gz	MMNLJQHRFUFVJD-UDWIEESQSA-N	-1	0	434.879	5.192	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Cl)cc2)C1=O	ZINC000408867695	556459399	/nfs/dbraw/zinc/45/93/99/556459399.db2.gz	MGHANSYRHJBAEW-PGMHBOJBSA-N	-1	0	444.918	5.160	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)c1	ZINC000408875298	556464165	/nfs/dbraw/zinc/46/41/65/556464165.db2.gz	IYWBKZRIGIPWEJ-HYARGMPZSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2F)C1=O	ZINC000408882137	556471953	/nfs/dbraw/zinc/47/19/53/556471953.db2.gz	LIVYYAPNKJNPQI-XSFVSMFZSA-N	-1	0	448.881	5.045	40	10		IKCBRM
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408897898	556485151	/nfs/dbraw/zinc/48/51/51/556485151.db2.gz	JNTFGVLQQTZZKW-HBBMIWKISA-N	-1	0	448.906	5.337	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408902769	556490271	/nfs/dbraw/zinc/49/02/71/556490271.db2.gz	RESBWTRYPUDOER-DEDYPNTBSA-N	-1	0	434.542	5.198	40	10		IKCBRM
CC(C)(C)c1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc(C(C)(C)C)c1O	ZINC000013547896	556514247	/nfs/dbraw/zinc/51/42/47/556514247.db2.gz	PNKNECXZVRKTSN-VBKFSLOCSA-N	-1	0	435.611	5.053	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1	ZINC000033758900	556567819	/nfs/dbraw/zinc/56/78/19/556567819.db2.gz	QMSZGOKXNWRTFE-LDADJPATSA-N	-1	0	438.892	5.899	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1	ZINC000408982925	556664088	/nfs/dbraw/zinc/66/40/88/556664088.db2.gz	IWWNLJUVJXPULM-UYRXBGFRSA-N	-1	0	448.563	5.216	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000408983823	556667311	/nfs/dbraw/zinc/66/73/11/556667311.db2.gz	DBMAJZPBNPLSEF-PXLXIMEGSA-N	-1	0	425.484	5.563	40	10		IKCBRM
Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)[O-])cc1	ZINC000017746931	556679284	/nfs/dbraw/zinc/67/92/84/556679284.db2.gz	RYASJVSJGCGYQA-NBHCHVEOSA-N	-1	0	427.420	6.483	40	10		IKCBRM
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O	ZINC000409016322	556719983	/nfs/dbraw/zinc/71/99/83/556719983.db2.gz	TVWMKPNIHQIUFI-KECVIQKOSA-N	-1	0	432.929	5.281	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(/N=N/c2ccccc2)cc1	ZINC000409101557	556795618	/nfs/dbraw/zinc/79/56/18/556795618.db2.gz	YZKNLYYOJMLXQP-BYYHNAKLSA-N	-1	0	429.907	7.230	40	10		IKCBRM
O=C([O-])c1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)csc2=Nc2ccccc2)cc1	ZINC000003012584	556803746	/nfs/dbraw/zinc/80/37/46/556803746.db2.gz	KWYMJLDEXRIOFG-UHFFFAOYSA-O	-1	0	432.481	5.101	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C1CCCC1	ZINC000408768553	556846883	/nfs/dbraw/zinc/84/68/83/556846883.db2.gz	HATGNRZKUIZBAZ-LICLKQGHSA-N	-1	0	446.334	5.193	40	10		IKCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)o2)c1	ZINC000409135606	556848578	/nfs/dbraw/zinc/84/85/78/556848578.db2.gz	ZGVUGSYWKQOLAM-QNGOZBTKSA-N	-1	0	433.485	5.314	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000408783293	556855254	/nfs/dbraw/zinc/85/52/54/556855254.db2.gz	NVSVJOBCIGAOEV-CIAFOILYSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000408786640	556856379	/nfs/dbraw/zinc/85/63/79/556856379.db2.gz	LMNAWBCFVGCJNE-DEDYPNTBSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408846045	556868979	/nfs/dbraw/zinc/86/89/79/556868979.db2.gz	XHDQNJYMQCLWID-BKUYFWCQSA-N	-1	0	432.501	5.342	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408854721	556871579	/nfs/dbraw/zinc/87/15/79/556871579.db2.gz	BQYATZINZKQQDH-CIAFOILYSA-N	-1	0	433.895	5.252	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1	ZINC000408865346	556873402	/nfs/dbraw/zinc/87/34/02/556873402.db2.gz	DBTNBHTTWVFQHB-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1	ZINC000408871972	556875188	/nfs/dbraw/zinc/87/51/88/556875188.db2.gz	IPFQDGCCOIULCW-KOEQRZSOSA-N	-1	0	438.527	5.123	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3F)C2=O)c1	ZINC000408872766	556875304	/nfs/dbraw/zinc/87/53/04/556875304.db2.gz	IKXXGADAHIFDOM-KGENOOAVSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408877768	556877240	/nfs/dbraw/zinc/87/72/40/556877240.db2.gz	UJCUCQZUUIVGQJ-HZHRSRAPSA-N	-1	0	444.918	5.214	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1Cl	ZINC000408940625	556896614	/nfs/dbraw/zinc/89/66/14/556896614.db2.gz	CQRINHYRUZDMFX-UHFFFAOYSA-N	-1	0	439.136	6.231	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000408983349	556908226	/nfs/dbraw/zinc/90/82/26/556908226.db2.gz	BDKJLAPHOAQJQU-XSFVSMFZSA-N	-1	0	445.902	5.908	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3[S-])C2=O)cc1	ZINC000408986590	556909578	/nfs/dbraw/zinc/90/95/78/556909578.db2.gz	QVPSLNKCKHBOAJ-XDJHFCHBSA-N	-1	0	433.960	6.499	40	10		IKCBRM
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	ZINC000408998017	556913276	/nfs/dbraw/zinc/91/32/76/556913276.db2.gz	PXDHIHPTHISEPJ-MTJSOVHGSA-N	-1	0	438.549	5.301	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)[N-]C2=S)c1C	ZINC000409134229	556968628	/nfs/dbraw/zinc/96/86/28/556968628.db2.gz	NHYIRXZAZISJQG-HKWRFOASSA-N	-1	0	444.581	5.286	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	ZINC000409170108	556980629	/nfs/dbraw/zinc/98/06/29/556980629.db2.gz	SZEIUUVBQHVDJL-CKNLXJGOSA-N	-1	0	444.325	5.299	40	10		IKCBRM
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1O	ZINC000409182062	556989778	/nfs/dbraw/zinc/98/97/78/556989778.db2.gz	IFLRWDZQVIKKPA-CHHVJCJISA-N	-1	0	444.336	5.643	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1	ZINC000040575461	557009777	/nfs/dbraw/zinc/00/97/77/557009777.db2.gz	DOPPPVQZDJUUKK-UHFFFAOYSA-N	-1	0	449.142	5.687	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)cc2)cc1	ZINC000409228575	557015361	/nfs/dbraw/zinc/01/53/61/557015361.db2.gz	ZKCLVYMPSOUEQG-PXLXIMEGSA-N	-1	0	444.581	5.286	40	10		IKCBRM
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O	ZINC000409230384	557022315	/nfs/dbraw/zinc/02/23/15/557022315.db2.gz	CPWPWKRJMCCJJE-PXLXIMEGSA-N	-1	0	444.556	5.193	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000409233357	557025042	/nfs/dbraw/zinc/02/50/42/557025042.db2.gz	VGVRUBWSEKPIMP-LICLKQGHSA-N	-1	0	443.242	5.049	40	10		IKCBRM
COc1cc(-n2[n-]c(C)c(C=Nc3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl	ZINC000408530649	557031565	/nfs/dbraw/zinc/03/15/65/557031565.db2.gz	JKUPKJIHIZDUMB-WQLSENKSSA-N	-1	0	445.133	6.027	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C)c1	ZINC000409228391	557054815	/nfs/dbraw/zinc/05/48/15/557054815.db2.gz	YHENKKOORWEWCO-DEDYPNTBSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)c1	ZINC000409231635	557058544	/nfs/dbraw/zinc/05/85/44/557058544.db2.gz	DPHPDXBWTMLDCQ-PXLXIMEGSA-N	-1	0	443.572	5.049	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)c(C)c1	ZINC000409328141	557062332	/nfs/dbraw/zinc/06/23/32/557062332.db2.gz	PKCMQGPVTXKTJX-CIAFOILYSA-N	-1	0	449.553	5.976	40	10		IKCBRM
CSc1cccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)c1	ZINC000409341391	557069101	/nfs/dbraw/zinc/06/91/01/557069101.db2.gz	BIQDGCZPCDZXID-AUWJEWJLSA-N	-1	0	428.387	5.827	40	10		IKCBRM
O=C([O-])/C(=C\c1ccc(N2CCCC2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635047	557076912	/nfs/dbraw/zinc/07/69/12/557076912.db2.gz	XFQUSCCICRQQQN-QGOAFFKASA-N	-1	0	427.913	5.208	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O	ZINC000208305525	557080045	/nfs/dbraw/zinc/08/00/45/557080045.db2.gz	YCXWMISKLUHFBN-WNSCPLKPSA-N	-1	0	445.563	5.028	40	10		IKCBRM
CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C	ZINC000409252518	557080965	/nfs/dbraw/zinc/08/09/65/557080965.db2.gz	SJHFCSZKFCOCMR-LDADJPATSA-N	-1	0	440.927	5.145	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000409401369	557101989	/nfs/dbraw/zinc/10/19/89/557101989.db2.gz	XJNJWFVPRXXUEQ-UNOMPAQXSA-N	-1	0	439.298	5.034	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1	ZINC000409327081	557111121	/nfs/dbraw/zinc/11/11/21/557111121.db2.gz	HQITXZIBQTWJQD-XDHOZWIPSA-N	-1	0	427.547	5.487	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100525084	557114799	/nfs/dbraw/zinc/11/47/99/557114799.db2.gz	KXTBUYNEEDWFQJ-DUPNKOKHSA-N	-1	0	440.326	5.448	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)o1	ZINC000409349027	557128125	/nfs/dbraw/zinc/12/81/25/557128125.db2.gz	UDMPENBLEBHEDD-NDENLUEZSA-N	-1	0	435.526	5.667	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000408722422	557136418	/nfs/dbraw/zinc/13/64/18/557136418.db2.gz	IQRACHHTYOURSC-BJMVGYQFSA-N	-1	0	446.142	5.132	40	10		IKCBRM
O=C([O-])CN1C(=O)C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)SC1=S	ZINC000408727474	557137772	/nfs/dbraw/zinc/13/77/72/557137772.db2.gz	ZGHOCEFYELVPTN-FHECECNMSA-N	-1	0	449.513	5.247	40	10		IKCBRM
COc1cc(N=C(C)c2c(C)[n-]n(-c3nc4ccccc4s3)c2=O)c(OC)cc1Cl	ZINC000103917369	557140613	/nfs/dbraw/zinc/14/06/13/557140613.db2.gz	FPAZZPWKWOZLEK-ODLFYWEKSA-N	-1	0	442.928	5.076	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)c(F)c1	ZINC000103918972	557140694	/nfs/dbraw/zinc/14/06/94/557140694.db2.gz	KRMWEGMTOMSVOJ-UNOMPAQXSA-N	-1	0	428.920	5.978	40	10		IKCBRM
CC(=Nc1cccc(C)n1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000103920318	557141137	/nfs/dbraw/zinc/14/11/37/557141137.db2.gz	LEVNRMGUDGKBNH-PGMHBOJBSA-N	-1	0	425.517	5.137	40	10		IKCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	ZINC000408739043	557148416	/nfs/dbraw/zinc/14/84/16/557148416.db2.gz	RYXKNDQLAXGRJD-XMHGGMMESA-N	-1	0	446.300	5.619	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1	ZINC000408739743	557148629	/nfs/dbraw/zinc/14/86/29/557148629.db2.gz	FDZGBWFFASLKRI-BOPFTXTBSA-N	-1	0	441.270	5.228	40	10		IKCBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\C=C(c4ccc(Br)cc4)OC3=O)o2)cc1	ZINC000408744762	557151832	/nfs/dbraw/zinc/15/18/32/557151832.db2.gz	ZXCCSRFAHOSLSV-LFIBNONCSA-N	-1	0	437.245	5.389	40	10		IKCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1	ZINC000106687209	557157328	/nfs/dbraw/zinc/15/73/28/557157328.db2.gz	VAAKTVBWGJBXHN-ODLFYWEKSA-N	-1	0	439.876	5.535	40	10		IKCBRM
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3[S-])C2=O)cc1OC	ZINC000408756357	557168458	/nfs/dbraw/zinc/16/84/58/557168458.db2.gz	ZFKQBHRARNJXEF-QGOAFFKASA-N	-1	0	449.959	6.117	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)[O-])c3C)C2=O)cc1	ZINC000408763152	557183091	/nfs/dbraw/zinc/18/30/91/557183091.db2.gz	RLTZGSWLOARJPB-RGEXLXHISA-N	-1	0	445.902	5.827	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000408765401	557186454	/nfs/dbraw/zinc/18/64/54/557186454.db2.gz	PINQMFCLZDOPPQ-MOSHPQCFSA-N	-1	0	445.902	5.827	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(=O)[O-])cc2C)cc1	ZINC000408767243	557189001	/nfs/dbraw/zinc/18/90/01/557189001.db2.gz	KNSCHFFYPPCHNF-KGENOOAVSA-N	-1	0	440.455	5.381	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc2ccccc12	ZINC000408783365	557206908	/nfs/dbraw/zinc/20/69/08/557206908.db2.gz	KQCUWFSWXYVYQS-MHWRWJLKSA-N	-1	0	444.796	5.178	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21	ZINC000408807339	557218757	/nfs/dbraw/zinc/21/87/57/557218757.db2.gz	HFQOSTBWXNUYMK-JJIBRWJFSA-N	-1	0	448.478	5.085	40	10		IKCBRM
Nc1cc(N)c(Oc2ccc(C(=O)[O-])cc2)cc1NN=C1C=C([N+](=O)[O-])C=C(Cl)C1=O	ZINC000025693617	557222284	/nfs/dbraw/zinc/22/22/84/557222284.db2.gz	CENOLHYYCDBPJU-WCWDXBQESA-N	-1	0	443.803	5.024	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCCC1	ZINC000111426883	557227808	/nfs/dbraw/zinc/22/78/08/557227808.db2.gz	VQJZANPXQKBROZ-HYARGMPZSA-N	-1	0	435.593	5.058	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000408820211	557233727	/nfs/dbraw/zinc/23/37/27/557233727.db2.gz	UOTSSMMUNJCGDL-WQRHYEAKSA-N	-1	0	425.849	5.539	40	10		IKCBRM
CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F	ZINC000112293094	557239281	/nfs/dbraw/zinc/23/92/81/557239281.db2.gz	WHFBDHOVRTZDQE-ZHZULCJRSA-N	-1	0	433.430	5.483	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4Cl)c3=O)n2)cc1	ZINC000100510818	557262953	/nfs/dbraw/zinc/26/29/53/557262953.db2.gz	MKXIBYNMJBNAQT-IUBFCHALSA-N	-1	0	425.901	5.347	40	10		IKCBRM
CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000017096821	557477697	/nfs/dbraw/zinc/47/76/97/557477697.db2.gz	KPJJUTZMTORSLF-JWGURIENSA-N	-1	0	430.439	5.179	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223578616	557488150	/nfs/dbraw/zinc/48/81/50/557488150.db2.gz	DJQCCOBADJINPY-OVBDPADQSA-N	-1	0	445.563	5.082	40	10		IKCBRM
COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3cc([N+](=O)[O-])ccc3C)c2=O)cc1	ZINC000019635866	557502805	/nfs/dbraw/zinc/50/28/05/557502805.db2.gz	CCGOVRVURWZHDF-QJOMJCCJSA-N	-1	0	442.475	5.049	40	10		IKCBRM
CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000019635873	557502821	/nfs/dbraw/zinc/50/28/21/557502821.db2.gz	CRMLWHUWQPFSLR-QJOMJCCJSA-N	-1	0	442.475	5.131	40	10		IKCBRM
CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3ccc(F)cc3)[n-]c2-c2ccccc2)cc1	ZINC000019637966	557503211	/nfs/dbraw/zinc/50/32/11/557503211.db2.gz	CDKUMWSPYTUHBM-QJOMJCCJSA-N	-1	0	443.478	5.139	40	10		IKCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000033318060	557807141	/nfs/dbraw/zinc/80/71/41/557807141.db2.gz	MWIHTMWFYCLZNE-NTEUORMPSA-N	-1	0	431.231	5.349	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000033365115	557807531	/nfs/dbraw/zinc/80/75/31/557807531.db2.gz	CTYGDGZWDAQAKK-RGVLZGJSSA-N	-1	0	437.858	5.393	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033933346	557810423	/nfs/dbraw/zinc/81/04/23/557810423.db2.gz	ZNUFTNXUSKXDOA-CPNJWEJPSA-N	-1	0	433.508	5.213	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	ZINC000058928763	557813277	/nfs/dbraw/zinc/81/32/77/557813277.db2.gz	NWJYAIYEYIFIAB-BWACUDIHSA-N	-1	0	439.136	6.281	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21	ZINC000058928877	557813576	/nfs/dbraw/zinc/81/35/76/557813576.db2.gz	SOJDQTVQIYMKGB-WLENULPWSA-N	-1	0	446.344	6.226	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1	ZINC000059135046	557815018	/nfs/dbraw/zinc/81/50/18/557815018.db2.gz	SZCUPYVVBAMSKX-FYJGNVAPSA-N	-1	0	434.398	5.051	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000059135356	557815288	/nfs/dbraw/zinc/81/52/88/557815288.db2.gz	WPBMRASTAMGBEX-LDADJPATSA-N	-1	0	437.858	5.393	40	10		IKCBRM
Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000059135432	557815353	/nfs/dbraw/zinc/81/53/53/557815353.db2.gz	ANJMQEYXFUODMM-WOJGMQOQSA-N	-1	0	449.394	5.117	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C)c1C	ZINC000059135929	557815509	/nfs/dbraw/zinc/81/55/09/557815509.db2.gz	OYZUGFUSFUKUQX-CPNJWEJPSA-N	-1	0	447.535	5.522	40	10		IKCBRM
CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[N-]C1=S	ZINC000059137203	557815858	/nfs/dbraw/zinc/81/58/58/557815858.db2.gz	HUENSNQAZQAQBW-KGENOOAVSA-N	-1	0	447.535	5.467	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059136171	557815865	/nfs/dbraw/zinc/81/58/65/557815865.db2.gz	NOGOQFQLWIJUIL-WOJGMQOQSA-N	-1	0	437.471	5.044	40	10		IKCBRM
Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1	ZINC000059136250	557815921	/nfs/dbraw/zinc/81/59/21/557815921.db2.gz	VCJOIEBTDKTTLO-LFIBNONCSA-N	-1	0	440.883	5.719	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)o2)cc1	ZINC000059137827	557816086	/nfs/dbraw/zinc/81/60/86/557816086.db2.gz	BCJHAJSQKOBXJZ-CPNJWEJPSA-N	-1	0	434.542	5.719	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1	ZINC000059137963	557816126	/nfs/dbraw/zinc/81/61/26/557816126.db2.gz	HFFDKRFWGAEZMF-CPNJWEJPSA-N	-1	0	448.569	6.028	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137418	557816132	/nfs/dbraw/zinc/81/61/32/557816132.db2.gz	RHZWWKJHSNKJNN-UDWIEESQSA-N	-1	0	433.508	5.213	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000059138112	557816363	/nfs/dbraw/zinc/81/63/63/557816363.db2.gz	LJJCEMXCUAZFBU-SDNWHVSQSA-N	-1	0	434.279	5.083	40	10		IKCBRM
Cc1nn(Cc2ccccc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O	ZINC000059859033	557827617	/nfs/dbraw/zinc/82/76/17/557827617.db2.gz	IRSNWZZZGXSNNY-BKUYFWCQSA-N	-1	0	433.943	5.229	40	10		IKCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)cc1	ZINC000059860634	557827936	/nfs/dbraw/zinc/82/79/36/557827936.db2.gz	VXJUHCHFKQKWSO-CJLVFECKSA-N	-1	0	442.471	5.171	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000096487969	557838131	/nfs/dbraw/zinc/83/81/31/557838131.db2.gz	OJZGPYBYDJHDTO-FYJGNVAPSA-N	-1	0	447.922	5.871	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1cccc2ccccc21	ZINC000002259989	569215603	/nfs/dbraw/zinc/21/56/03/569215603.db2.gz	QXHAMRPETIELEC-HAHDFKILSA-N	-1	0	439.446	5.335	40	10		IKCBRM
CCc1ccc(N2C(=O)/C(=C/c3cn([C@@H](C)CC)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000109041720	569253501	/nfs/dbraw/zinc/25/35/01/569253501.db2.gz	GECYYUWUJKATKB-YIRPMMGJSA-N	-1	0	431.561	5.006	40	10		IKCBRM
CCc1ccc(N2C(=O)/C(=C/c3cn([C@H](C)CC)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000109041724	569253556	/nfs/dbraw/zinc/25/35/56/569253556.db2.gz	GECYYUWUJKATKB-ZFMLPXDISA-N	-1	0	431.561	5.006	40	10		IKCBRM
Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O	ZINC000033727743	569259748	/nfs/dbraw/zinc/25/97/48/569259748.db2.gz	FMHDBUFYOVVODV-LICLKQGHSA-N	-1	0	443.931	5.059	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000002234137	132249588	/nfs/dbraw/zinc/24/95/88/132249588.db2.gz	UJEGQGRVFWWBFA-LPYMAVHISA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000009265419	132311960	/nfs/dbraw/zinc/31/19/60/132311960.db2.gz	YEVRLOXBKWDPNR-HAHDFKILSA-N	-1	0	441.531	5.192	40	10		IKCBRM
CCN(CC)c1ccc(/N=N\c2cc(Cl)ccc2Cl)c(NC(=O)CCC(=O)[O-])c1	ZINC000016980516	520885467	/nfs/dbraw/zinc/88/54/67/520885467.db2.gz	DKJDXDIRDMGZGH-IZHYLOQSSA-N	-1	0	437.327	6.058	40	10		IKCBRM
Cc1cccc(Cn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000034828198	524494610	/nfs/dbraw/zinc/49/46/10/524494610.db2.gz	ROARASISQAGPPM-NDENLUEZSA-N	-1	0	433.895	5.313	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000408530517	555727256	/nfs/dbraw/zinc/72/72/56/555727256.db2.gz	JAZUXDJDUSLTSB-ZROIWOOFSA-N	-1	0	439.140	5.783	40	10		IKCBRM
Nc1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000003849198	555948602	/nfs/dbraw/zinc/94/86/02/555948602.db2.gz	PLLCNDMFTOJDFK-OCOZRVBESA-N	-1	0	432.387	5.172	40	10		IKCBRM
CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000035191535	555984421	/nfs/dbraw/zinc/98/44/21/555984421.db2.gz	DOICKNIWJQKPHW-XMHGGMMESA-N	-1	0	437.540	5.050	40	10		IKCBRM
Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(N(C)C)cc1	ZINC000408631734	556003263	/nfs/dbraw/zinc/00/32/63/556003263.db2.gz	BILMMGTUESKPPU-HYARGMPZSA-N	-1	0	433.533	5.519	40	10		IKCBRM
Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(N(C)C)cc1	ZINC000408631977	556003624	/nfs/dbraw/zinc/00/36/24/556003624.db2.gz	BYHVDWLVKZYHKB-HYARGMPZSA-N	-1	0	432.549	5.254	40	10		IKCBRM
Cc1ccccc1NC(=O)c1cc2cc(/N=N/c3ccccc3C(=O)[O-])ccc2oc1=O	ZINC000005810555	556066730	/nfs/dbraw/zinc/06/67/30/556066730.db2.gz	CHBAPMADBCPJAX-CYYJNZCTSA-N	-1	0	427.416	5.467	40	10		IKCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000008821429	556222846	/nfs/dbraw/zinc/22/28/46/556222846.db2.gz	RQTWZWGQENEVSP-VUVCFOEZSA-N	-1	0	435.954	5.445	40	10		IKCBRM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000008821609	556223337	/nfs/dbraw/zinc/22/33/37/556223337.db2.gz	LGDJZSKVQCNRFQ-RGEXLXHISA-N	-1	0	449.594	5.212	40	10		IKCBRM
Cc1ccc(COc2cccc(C=C3SC(Nc4ccccc4C(=O)[O-])=NC3=O)c2)cc1	ZINC000008821726	556223693	/nfs/dbraw/zinc/22/36/93/556223693.db2.gz	DTFWEQBXUCBVKJ-HMAPJEAMSA-N	-1	0	444.512	5.355	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2Cl)C1=O	ZINC000408865546	556458081	/nfs/dbraw/zinc/45/80/81/556458081.db2.gz	CWSFJYFUWJTTKF-PGMHBOJBSA-N	-1	0	444.918	5.160	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2)c1	ZINC000408866743	556459872	/nfs/dbraw/zinc/45/98/72/556459872.db2.gz	IMHFJXKQKHFUNI-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)cc2)C1=O	ZINC000408876589	556465937	/nfs/dbraw/zinc/46/59/37/556465937.db2.gz	MOKFOVPYKOKANB-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c1	ZINC000408877775	556467471	/nfs/dbraw/zinc/46/74/71/556467471.db2.gz	WYDWRVHQJOXJNY-UDWIEESQSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c1C	ZINC000408880307	556470226	/nfs/dbraw/zinc/47/02/26/556470226.db2.gz	HFMMSDRLGTYFNO-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1C	ZINC000408884236	556473627	/nfs/dbraw/zinc/47/36/27/556473627.db2.gz	XJRLPIRLTTWNBG-PXLXIMEGSA-N	-1	0	444.918	5.214	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1	ZINC000408903321	556491037	/nfs/dbraw/zinc/49/10/37/556491037.db2.gz	XGQFRIXQBSHDNG-WOJGMQOQSA-N	-1	0	441.917	5.704	40	10		IKCBRM
CCCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000032101738	556529702	/nfs/dbraw/zinc/52/97/02/556529702.db2.gz	TYGVHYCUCBOMAL-ZHZULCJRSA-N	-1	0	445.431	5.044	40	10		IKCBRM
Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1	ZINC000408956771	556557329	/nfs/dbraw/zinc/55/73/29/556557329.db2.gz	YJPAXWZSNAFKLF-ZMOGYAJESA-N	-1	0	440.543	5.129	40	10		IKCBRM
CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000016737562	556633868	/nfs/dbraw/zinc/63/38/68/556633868.db2.gz	DKINSCKCIBUEJU-UHFFFAOYSA-O	-1	0	430.358	5.020	40	10		IKCBRM
CC1=CC(=O)C=CC1=NNc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2[N+](=O)[O-])cc1	ZINC000044790217	556667670	/nfs/dbraw/zinc/66/76/70/556667670.db2.gz	IOXUCBAQLIRZBX-QURGRASLSA-N	-1	0	428.426	5.015	40	10		IKCBRM
O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408759114	556682974	/nfs/dbraw/zinc/68/29/74/556682974.db2.gz	XYYNPQDYQWAJEU-DEDYPNTBSA-N	-1	0	437.282	5.526	40	10		IKCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000409071636	556774553	/nfs/dbraw/zinc/77/45/53/556774553.db2.gz	HSAIESWCHWQJLS-FYJGNVAPSA-N	-1	0	446.890	5.423	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1	ZINC000409086508	556790776	/nfs/dbraw/zinc/79/07/76/556790776.db2.gz	DZPKSACXKXYAJG-KGENOOAVSA-N	-1	0	448.931	5.466	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C1CCCCC1	ZINC000409127706	556836497	/nfs/dbraw/zinc/83/64/97/556836497.db2.gz	JMDHNCDHXFRYPH-KGENOOAVSA-N	-1	0	435.593	5.058	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C)c1C	ZINC000408769586	556847133	/nfs/dbraw/zinc/84/71/33/556847133.db2.gz	WFZZYGYLYSVJQA-FYJGNVAPSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C(=O)[O-])c2C)cc1	ZINC000408786902	556856467	/nfs/dbraw/zinc/85/64/67/556856467.db2.gz	PDRHFRPQMUDURY-XSFVSMFZSA-N	-1	0	440.455	5.381	40	10		IKCBRM
CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408800907	556858361	/nfs/dbraw/zinc/85/83/61/556858361.db2.gz	RWVBHSOXOZEUJZ-XSFVSMFZSA-N	-1	0	448.906	5.257	40	10		IKCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000408850759	556871007	/nfs/dbraw/zinc/87/10/07/556871007.db2.gz	DVHLPYKQHIZMFV-RMKNXTFCSA-N	-1	0	446.142	5.132	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCCC1	ZINC000409148453	556875660	/nfs/dbraw/zinc/87/56/60/556875660.db2.gz	ZFMREQPUNILKAS-KGENOOAVSA-N	-1	0	435.593	5.058	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c1	ZINC000408879863	556876075	/nfs/dbraw/zinc/87/60/75/556876075.db2.gz	HMOUTUQVWTXXEM-HYARGMPZSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408901378	556882605	/nfs/dbraw/zinc/88/26/05/556882605.db2.gz	DTSOGYVVOBXCHU-UDWIEESQSA-N	-1	0	433.895	5.252	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)c(Cl)c1	ZINC000408946362	556897991	/nfs/dbraw/zinc/89/79/91/556897991.db2.gz	MKSBWWDYPINIHS-UHFFFAOYSA-N	-1	0	439.136	6.231	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000409229467	557015766	/nfs/dbraw/zinc/01/57/66/557015766.db2.gz	PKVFECACSPVTJQ-HAHDFKILSA-N	-1	0	443.572	5.049	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)cc2)cc1	ZINC000409223873	557017970	/nfs/dbraw/zinc/01/79/70/557017970.db2.gz	GHBLVEOPOCRNKF-PXLXIMEGSA-N	-1	0	442.540	5.429	40	10		IKCBRM
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214644	557029398	/nfs/dbraw/zinc/02/93/98/557029398.db2.gz	YZWLCIPTAHWQFP-BKUYFWCQSA-N	-1	0	432.501	5.029	40	10		IKCBRM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000408527953	557030889	/nfs/dbraw/zinc/03/08/89/557030889.db2.gz	GVVZCDJNBZZKSU-ATVHPVEESA-N	-1	0	440.728	5.974	40	10		IKCBRM
Cc1nn(Cc2ccccc2Cl)c(C)c1N=Cc1c(C)[n-]n(-c2cccc(C)c2)c1=O	ZINC000408532425	557031591	/nfs/dbraw/zinc/03/15/91/557031591.db2.gz	MPQGOAZQLNYXPF-BKUYFWCQSA-N	-1	0	433.943	5.229	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)c(C)c1	ZINC000408535702	557032586	/nfs/dbraw/zinc/03/25/86/557032586.db2.gz	ZTRGFRXLDNXGPX-OZQQWVCGSA-N	-1	0	439.475	5.298	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000408539146	557033102	/nfs/dbraw/zinc/03/31/02/557033102.db2.gz	UEWGZFLOIQCWRG-YBEGLDIGSA-N	-1	0	443.301	5.001	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1	ZINC000409221431	557037776	/nfs/dbraw/zinc/03/77/76/557037776.db2.gz	QDOTXWZBJOSXJC-PXLXIMEGSA-N	-1	0	444.581	5.286	40	10		IKCBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C(C)C	ZINC000409222676	557043995	/nfs/dbraw/zinc/04/39/95/557043995.db2.gz	CVWSSJSQIIPAAI-FYJGNVAPSA-N	-1	0	436.577	5.082	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)cc1Cl	ZINC000409228610	557054772	/nfs/dbraw/zinc/05/47/72/557054772.db2.gz	ZXRZPDBROVQTQG-VCHYOVAHSA-N	-1	0	437.952	5.015	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000408601126	557068601	/nfs/dbraw/zinc/06/86/01/557068601.db2.gz	IOHLCNOYDBKVJM-WJDWOHSUSA-N	-1	0	443.311	5.085	40	10		IKCBRM
Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2	ZINC000408634816	557076832	/nfs/dbraw/zinc/07/68/32/557076832.db2.gz	VCMIVTGGHSZZHC-UFFVCSGVSA-N	-1	0	434.473	5.182	40	10		IKCBRM
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(O)c1	ZINC000408635214	557076988	/nfs/dbraw/zinc/07/69/88/557076988.db2.gz	YHLFHCOULGNYMB-WQRHYEAKSA-N	-1	0	445.928	5.160	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000409236952	557078888	/nfs/dbraw/zinc/07/88/88/557078888.db2.gz	HDPXKLNYYZKBOK-LFIBNONCSA-N	-1	0	441.270	5.228	40	10		IKCBRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl	ZINC000409238164	557079085	/nfs/dbraw/zinc/07/90/85/557079085.db2.gz	WADWZFRAYGQEKC-XBUHWIKASA-N	-1	0	447.318	5.146	40	10		IKCBRM
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl	ZINC000409238043	557079117	/nfs/dbraw/zinc/07/91/17/557079117.db2.gz	BTAFQURXJFPWBO-WOJGMQOQSA-N	-1	0	442.968	5.082	40	10		IKCBRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000409237676	557079202	/nfs/dbraw/zinc/07/92/02/557079202.db2.gz	KUBAACWAPDQMPU-LQELWAHVSA-N	-1	0	449.359	5.002	40	10		IKCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000409247031	557080335	/nfs/dbraw/zinc/08/03/35/557080335.db2.gz	FYXMJVXPMZMFGT-FYJGNVAPSA-N	-1	0	431.561	5.177	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1C	ZINC000409248827	557080635	/nfs/dbraw/zinc/08/06/35/557080635.db2.gz	RHIIFTHMUNIERE-CPNJWEJPSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(C(C)C)c(OCCn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1	ZINC000409379524	557094265	/nfs/dbraw/zinc/09/42/65/557094265.db2.gz	XBZXCGKDMXMAPE-UHFFFAOYSA-N	-1	0	425.956	6.337	40	10		IKCBRM
O=C([N-]N1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)SC1=S)c1cccs1	ZINC000409329531	557111660	/nfs/dbraw/zinc/11/16/60/557111660.db2.gz	FGXSYFZGZOVLNR-DEDYPNTBSA-N	-1	0	446.578	5.601	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100525462	557114715	/nfs/dbraw/zinc/11/47/15/557114715.db2.gz	KQJTYOKTKSDBDK-AWZKZOKMSA-N	-1	0	440.872	5.247	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000100525481	557114802	/nfs/dbraw/zinc/11/48/02/557114802.db2.gz	NOUCWJVRRIAKEM-FYTMPNSFSA-N	-1	0	434.481	5.210	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc5ccccc54)c3=O)n2)cc1	ZINC000100510760	557115624	/nfs/dbraw/zinc/11/56/24/557115624.db2.gz	XMAMWZYMTSQVTA-KQEYZTLISA-N	-1	0	441.516	5.847	40	10		IKCBRM
CCc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000409376193	557138821	/nfs/dbraw/zinc/13/88/21/557138821.db2.gz	VRKSKUGOCHAQCH-PGMHBOJBSA-N	-1	0	444.581	5.232	40	10		IKCBRM
CC(=Nc1ccccc1Cl)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000103920882	557140960	/nfs/dbraw/zinc/14/09/60/557140960.db2.gz	XQPPDLXCRXIHCF-QNGOZBTKSA-N	-1	0	432.867	5.385	40	10		IKCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O	ZINC000005947735	557144910	/nfs/dbraw/zinc/14/49/10/557144910.db2.gz	NLHGKCFXQALGEI-MHWRWJLKSA-N	-1	0	442.302	5.318	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000409409404	557145625	/nfs/dbraw/zinc/14/56/25/557145625.db2.gz	VAOZQKQQLJWUMU-NDENLUEZSA-N	-1	0	439.298	5.034	40	10		IKCBRM
O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408763422	557178781	/nfs/dbraw/zinc/17/87/81/557178781.db2.gz	OFKBMNHOZVYKTN-DEDYPNTBSA-N	-1	0	437.282	5.526	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1	ZINC000408766994	557188964	/nfs/dbraw/zinc/18/89/64/557188964.db2.gz	HRTKKAWBTUSQDW-LICLKQGHSA-N	-1	0	446.334	5.193	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000408767005	557188984	/nfs/dbraw/zinc/18/89/84/557188984.db2.gz	HSJWSDVQNNEHCR-XQNSMLJCSA-N	-1	0	441.531	5.058	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1	ZINC000408774978	557197741	/nfs/dbraw/zinc/19/77/41/557197741.db2.gz	DWIASPUOISYDJC-XDHOZWIPSA-N	-1	0	448.563	5.270	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000408783384	557206920	/nfs/dbraw/zinc/20/69/20/557206920.db2.gz	KVUWISVEVDERFR-FYJGNVAPSA-N	-1	0	447.922	5.031	40	10		IKCBRM
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F	ZINC000112294435	557239574	/nfs/dbraw/zinc/23/95/74/557239574.db2.gz	NLAQVXRHNOFUSX-UYRXBGFRSA-N	-1	0	448.401	5.382	40	10		IKCBRM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC	ZINC000112293609	557239650	/nfs/dbraw/zinc/23/96/50/557239650.db2.gz	GYGOTOACUXYVQJ-BKUYFWCQSA-N	-1	0	431.895	5.385	40	10		IKCBRM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cc(Cl)ccc3Oc3ccccc3)c2=O)cc1	ZINC000112295642	557239665	/nfs/dbraw/zinc/23/96/65/557239665.db2.gz	WCRALTXLLBSJLY-JLPGSUDCSA-N	-1	0	447.922	6.250	40	10		IKCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1	ZINC000104388958	557326154	/nfs/dbraw/zinc/32/61/54/557326154.db2.gz	ANKNQAUREHXSDZ-RIIXPHEHSA-N	-1	0	432.461	6.623	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000222699677	557375811	/nfs/dbraw/zinc/37/58/11/557375811.db2.gz	AKFNTNQDERCJSM-YFXJRYMSSA-N	-1	0	446.576	5.167	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C1=O	ZINC000014133207	557421917	/nfs/dbraw/zinc/42/19/17/557421917.db2.gz	QQTVAZWKVNNYGR-XSFVSMFZSA-N	-1	0	448.931	5.466	40	10		IKCBRM
CCOc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	ZINC000223253254	557451364	/nfs/dbraw/zinc/45/13/64/557451364.db2.gz	LKDWBSDKZSSLGN-UHFFFAOYSA-N	-1	0	429.350	5.316	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000016268399	557471483	/nfs/dbraw/zinc/47/14/83/557471483.db2.gz	VQVYPRIGZUHKFF-UDWIEESQSA-N	-1	0	437.858	5.393	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O	ZINC000223558653	557486017	/nfs/dbraw/zinc/48/60/17/557486017.db2.gz	PCMATBAKCDYIGK-ALDSOSFCSA-N	-1	0	445.563	5.162	40	10		IKCBRM
Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223601080	557490523	/nfs/dbraw/zinc/49/05/23/557490523.db2.gz	DGVHJIVOVHYWND-SDLXJUDFSA-N	-1	0	445.563	5.162	40	10		IKCBRM
COc1cc(N=C(C)c2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c(OC)cc1Cl	ZINC000019646641	557505203	/nfs/dbraw/zinc/50/52/03/557505203.db2.gz	CDUKQLOBYHDYFW-KQWNVCNZSA-N	-1	0	447.922	5.494	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C(=O)[N-]C2=S)c1	ZINC000033704194	557809205	/nfs/dbraw/zinc/80/92/05/557809205.db2.gz	HBDGMVHHVIVDJN-XDHOZWIPSA-N	-1	0	437.540	5.023	40	10		IKCBRM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1	ZINC000058849837	557811871	/nfs/dbraw/zinc/81/18/71/557811871.db2.gz	JCSBMDTVEMXZNB-YZUZCNPQSA-N	-1	0	446.528	5.012	40	10		IKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000058837603	557812819	/nfs/dbraw/zinc/81/28/19/557812819.db2.gz	XAYGFCHQPYPKNJ-SLSDLSHTSA-N	-1	0	431.919	6.444	40	10		IKCBRM
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	ZINC000058846415	557813101	/nfs/dbraw/zinc/81/31/01/557813101.db2.gz	RCANJZZOCJCVFG-VVZHRXSXSA-N	-1	0	430.573	5.931	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21	ZINC000058928759	557813316	/nfs/dbraw/zinc/81/33/16/557813316.db2.gz	MJGIGLFLTWCBSR-PEBVRCNWSA-N	-1	0	439.136	6.281	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000059135365	557815305	/nfs/dbraw/zinc/81/53/05/557815305.db2.gz	HCSOTRNVXUBIHY-FYJGNVAPSA-N	-1	0	431.467	5.357	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1	ZINC000059135640	557815363	/nfs/dbraw/zinc/81/53/63/557815363.db2.gz	UMRUNQXXCWYTCO-DEDYPNTBSA-N	-1	0	434.398	5.051	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1	ZINC000059135838	557815494	/nfs/dbraw/zinc/81/54/94/557815494.db2.gz	COUMTDKDUBZUDH-RVDMUPIBSA-N	-1	0	426.856	5.411	40	10		IKCBRM
Cc1ccc(COc2ccccc2C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059136424	557815931	/nfs/dbraw/zinc/81/59/31/557815931.db2.gz	WSNLRKOLNPCSSM-XMHGGMMESA-N	-1	0	446.503	5.385	40	10		IKCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1	ZINC000059137176	557815935	/nfs/dbraw/zinc/81/59/35/557815935.db2.gz	LNDDIMYHPGJGMC-LPYMAVHISA-N	-1	0	447.466	5.139	40	10		IKCBRM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cc1ccccc1	ZINC000059139130	557816461	/nfs/dbraw/zinc/81/64/61/557816461.db2.gz	HQBCREPSXVMIBI-XDJHFCHBSA-N	-1	0	446.503	5.097	40	10		IKCBRM
CC(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000059198518	557818494	/nfs/dbraw/zinc/81/84/94/557818494.db2.gz	ZXAOLJAZJMXUTK-GZTJUZNOSA-N	-1	0	429.339	5.244	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000059106192	557820221	/nfs/dbraw/zinc/82/02/21/557820221.db2.gz	QBYXOMPHENFHIA-GDNBJRDFSA-N	-1	0	445.233	5.899	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc2ccccc21	ZINC000059109549	557820631	/nfs/dbraw/zinc/82/06/31/557820631.db2.gz	HROVNZCLZFNTDK-XQNSMLJCSA-N	-1	0	441.531	5.882	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c1C	ZINC000059862202	557827907	/nfs/dbraw/zinc/82/79/07/557827907.db2.gz	NMDGNKQREDVHOI-PXLXIMEGSA-N	-1	0	426.472	5.389	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1	ZINC000059862188	557827941	/nfs/dbraw/zinc/82/79/41/557827941.db2.gz	AVXWIWXHATXWJS-PXLXIMEGSA-N	-1	0	426.472	5.389	40	10		IKCBRM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Cl	ZINC000096484231	557838190	/nfs/dbraw/zinc/83/81/90/557838190.db2.gz	DMWXCVMVLFOJNO-SFQUDFHCSA-N	-1	0	436.294	6.163	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1	ZINC000096476602	557838236	/nfs/dbraw/zinc/83/82/36/557838236.db2.gz	SKSLANBCEQHXQR-YBFXNURJSA-N	-1	0	427.957	5.545	40	10		IKCBRM
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000214589306	569179982	/nfs/dbraw/zinc/17/99/82/569179982.db2.gz	MSYSJYSVWNOKQZ-LPYMAVHISA-N	-1	0	446.528	5.337	40	10		IKCBRM
O=C1/C(=C/c2cc(Br)cc(Cl)c2[O-])SC(=S)N1c1ccccc1	ZINC000003044090	569259022	/nfs/dbraw/zinc/25/90/22/569259022.db2.gz	AORDDZSDURWULY-QPEQYQDCSA-N	-1	0	426.744	5.214	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208328487	569261338	/nfs/dbraw/zinc/26/13/38/569261338.db2.gz	SOQRKGVHHITIBZ-ALDSOSFCSA-N	-1	0	445.563	5.082	40	10		IKCBRM
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000214127946	569261462	/nfs/dbraw/zinc/26/14/62/569261462.db2.gz	PAKYLFDKNUOPNQ-FYJGNVAPSA-N	-1	0	432.501	5.029	40	10		IKCBRM
CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C	ZINC000260562595	569281206	/nfs/dbraw/zinc/28/12/06/569281206.db2.gz	AQKWCWFQPQEVOC-AQRZYSDFSA-N	-1	0	447.604	5.019	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1	ZINC000260568183	569281320	/nfs/dbraw/zinc/28/13/20/569281320.db2.gz	NTKPWPZOCPPJEF-MNOULKQQSA-N	-1	0	445.563	5.000	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	ZINC000008935276	132298454	/nfs/dbraw/zinc/29/84/54/132298454.db2.gz	WXZHYNIYTFJYOW-MSBWEVJISA-N	-1	0	448.360	6.042	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000009761231	132328418	/nfs/dbraw/zinc/32/84/18/132328418.db2.gz	VXYAZKHVXNXSCN-ONJIFJTESA-N	-1	0	441.958	6.795	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000035223926	526342929	/nfs/dbraw/zinc/34/29/29/526342929.db2.gz	JLCPQEBHYWSXSS-ZQIUZPCESA-N	-1	0	449.142	5.736	40	10		IKCBRM
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000001272780	536657707	/nfs/dbraw/zinc/65/77/07/536657707.db2.gz	AQRHOGCGAPAWFD-HYARGMPZSA-N	-1	0	445.544	5.083	40	10		IKCBRM
CCCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408534745	555753358	/nfs/dbraw/zinc/75/33/58/555753358.db2.gz	WLZLUFRIZYZXOI-GZTJUZNOSA-N	-1	0	447.318	5.147	40	10		IKCBRM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000002700768	555800439	/nfs/dbraw/zinc/80/04/39/555800439.db2.gz	YGLUYWUCUITNSZ-DHDCSXOGSA-N	-1	0	442.345	5.319	40	10		IKCBRM
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1	ZINC000408631983	556003924	/nfs/dbraw/zinc/00/39/24/556003924.db2.gz	CBNYUVJWPCYTGP-AQTBWJFISA-N	-1	0	429.929	5.454	40	10		IKCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)n1	ZINC000005389938	556049542	/nfs/dbraw/zinc/04/95/42/556049542.db2.gz	JUTRAKXMMVWOIP-UHFFFAOYSA-N	-1	0	441.516	5.031	40	10		IKCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000008821412	556222548	/nfs/dbraw/zinc/22/25/48/556222548.db2.gz	UOQKIMZCLURQLW-ZXMBATIKSA-N	-1	0	435.954	5.301	40	10		IKCBRM
Cc1ccc(COc2ccc(C=C3SC(Nc4ccccc4C(=O)[O-])=NC3=O)cc2)cc1	ZINC000008821745	556223707	/nfs/dbraw/zinc/22/37/07/556223707.db2.gz	FRULRCQIFJBZOE-HMAPJEAMSA-N	-1	0	444.512	5.355	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)o1	ZINC000009235920	556263547	/nfs/dbraw/zinc/26/35/47/556263547.db2.gz	UQRBSUWHXDZPSQ-KGENOOAVSA-N	-1	0	449.484	5.069	40	10		IKCBRM
Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000009259060	556267318	/nfs/dbraw/zinc/26/73/18/556267318.db2.gz	UBFJHUJBQABRAO-WQRHYEAKSA-N	-1	0	441.270	5.228	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)C2=O)cc1C	ZINC000408856937	556447008	/nfs/dbraw/zinc/44/70/08/556447008.db2.gz	LSGAQJAZAOVMSL-JCVVDVMVSA-N	-1	0	440.459	5.091	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)cc2)c1	ZINC000408868450	556460562	/nfs/dbraw/zinc/46/05/62/556460562.db2.gz	MPUHGLHMLHHWEP-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	ZINC000408869515	556462830	/nfs/dbraw/zinc/46/28/30/556462830.db2.gz	PUDYZQPINJCYIJ-LIBAHTEVSA-N	-1	0	448.700	5.356	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2F)C1=O	ZINC000408876361	556466046	/nfs/dbraw/zinc/46/60/46/556466046.db2.gz	OBADIZGFSOJKPO-XMHGGMMESA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408901857	556488292	/nfs/dbraw/zinc/48/82/92/556488292.db2.gz	HZEOOMGKHZXGFV-FYJGNVAPSA-N	-1	0	448.569	5.507	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408902641	556489926	/nfs/dbraw/zinc/48/99/26/556489926.db2.gz	PDNVVBLZFFRVRW-UDWIEESQSA-N	-1	0	433.895	5.252	40	10		IKCBRM
O=C([O-])c1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	ZINC000408903009	556490205	/nfs/dbraw/zinc/49/02/05/556490205.db2.gz	UEQLHPBVQHXNGB-KGENOOAVSA-N	-1	0	447.537	5.370	40	10		IKCBRM
O=C([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	ZINC000032121309	556533471	/nfs/dbraw/zinc/53/34/71/556533471.db2.gz	JYZXGHMEPFMIFM-VBQJREDUSA-N	-1	0	449.142	5.736	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)cc(Cl)c1	ZINC000408952056	556549560	/nfs/dbraw/zinc/54/95/60/556549560.db2.gz	VDKMSNLBSIIEQG-UHFFFAOYSA-N	-1	0	439.136	6.231	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	ZINC000033409281	556563636	/nfs/dbraw/zinc/56/36/36/556563636.db2.gz	YJLVYFHWOZHAJA-BOPFTXTBSA-N	-1	0	441.270	6.069	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@H]21	ZINC000033662796	556566548	/nfs/dbraw/zinc/56/65/48/556566548.db2.gz	ITPSVLQAOTZWJK-ZQIUZPCESA-N	-1	0	438.243	5.993	40	10		IKCBRM
CC1=CC(=O)C=CC1=NNc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000038171389	556612141	/nfs/dbraw/zinc/61/21/41/556612141.db2.gz	LMWVIMOPAMZMLR-QURGRASLSA-N	-1	0	428.426	5.015	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000408985410	556686849	/nfs/dbraw/zinc/68/68/49/556686849.db2.gz	LVLOKOKNNJJXHK-XMHGGMMESA-N	-1	0	428.444	5.170	40	10		IKCBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(/N=N/c3ccccc3)cc2)cc1	ZINC000409094942	556793434	/nfs/dbraw/zinc/79/34/34/556793434.db2.gz	GOFJMZGJVDIBSM-BYYHNAKLSA-N	-1	0	425.488	6.586	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)[N-]C2=S)c1C	ZINC000409124875	556824448	/nfs/dbraw/zinc/82/44/48/556824448.db2.gz	LCYYLKPNHVEMJT-KGENOOAVSA-N	-1	0	444.556	5.075	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1	ZINC000409132524	556843072	/nfs/dbraw/zinc/84/30/72/556843072.db2.gz	YKRHJVGCTMSBTH-PXLXIMEGSA-N	-1	0	447.512	5.622	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21	ZINC000408798389	556857625	/nfs/dbraw/zinc/85/76/25/556857625.db2.gz	DWLCYIFNHAADQB-JJIBRWJFSA-N	-1	0	448.478	5.085	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O	ZINC000408802412	556859351	/nfs/dbraw/zinc/85/93/51/556859351.db2.gz	DVVHFWAFTHANNI-CPNJWEJPSA-N	-1	0	448.906	5.255	40	10		IKCBRM
CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408851959	556869836	/nfs/dbraw/zinc/86/98/36/556869836.db2.gz	OHIAUNYRMHLMLG-SDNWHVSQSA-N	-1	0	433.360	5.122	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1	ZINC000409142716	556873526	/nfs/dbraw/zinc/87/35/26/556873526.db2.gz	LKJSXCXPORVRRA-UDWIEESQSA-N	-1	0	425.506	5.570	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1	ZINC000408871675	556875052	/nfs/dbraw/zinc/87/50/52/556875052.db2.gz	ZUPBRXRBIAXXPH-HYARGMPZSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c1	ZINC000408872407	556875285	/nfs/dbraw/zinc/87/52/85/556875285.db2.gz	MSFOKZZSCCKGDJ-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c1C	ZINC000408880422	556876270	/nfs/dbraw/zinc/87/62/70/556876270.db2.gz	IXWUKFMYFHHFJD-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409154525	556879093	/nfs/dbraw/zinc/87/90/93/556879093.db2.gz	KGPOYMYHPINURS-SWYRRKHMSA-N	-1	0	427.569	6.812	40	10		IKCBRM
O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1	ZINC000408902159	556882342	/nfs/dbraw/zinc/88/23/42/556882342.db2.gz	LBNQZHATJOEXLN-KGENOOAVSA-N	-1	0	447.537	5.370	40	10		IKCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000408903912	556883646	/nfs/dbraw/zinc/88/36/46/556883646.db2.gz	BCXVESUMFGMHGI-FYJGNVAPSA-N	-1	0	446.890	5.423	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1	ZINC000408940107	556896579	/nfs/dbraw/zinc/89/65/79/556896579.db2.gz	UDVLFFXEHUQGDH-UQQQWYQISA-N	-1	0	448.478	5.085	40	10		IKCBRM
COc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1	ZINC000408942075	556897662	/nfs/dbraw/zinc/89/76/62/556897662.db2.gz	FLIPIPZPINFHOG-UHFFFAOYSA-N	-1	0	434.717	5.586	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1	ZINC000408971575	556902844	/nfs/dbraw/zinc/90/28/44/556902844.db2.gz	JDWTVAVJHUCHGT-PDGQHHTCSA-N	-1	0	440.377	5.302	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408984338	556910577	/nfs/dbraw/zinc/91/05/77/556910577.db2.gz	GWPSQIBKRYTGGO-HMMYKYKNSA-N	-1	0	445.902	5.908	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1	ZINC000409008704	556919093	/nfs/dbraw/zinc/91/90/93/556919093.db2.gz	ARKWHLNKYPZSFJ-GXDHUFHOSA-N	-1	0	445.233	5.059	40	10		IKCBRM
Cc1ccc(NC(=O)c2c3c(sc2[N-]S(=O)(=O)c2ccccc2)CCCC3)cc1C	ZINC000409122518	556961942	/nfs/dbraw/zinc/96/19/42/556961942.db2.gz	ZBQKNGNTJWLTBC-UHFFFAOYSA-N	-1	0	440.590	5.297	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1	ZINC000409146185	556977215	/nfs/dbraw/zinc/97/72/15/556977215.db2.gz	RZHMFIYOHIBIHG-UDWIEESQSA-N	-1	0	425.506	5.570	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	ZINC000409170112	556982644	/nfs/dbraw/zinc/98/26/44/556982644.db2.gz	SZEIUUVBQHVDJL-MNVSYLFESA-N	-1	0	444.325	5.299	40	10		IKCBRM
Cc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409199274	557012956	/nfs/dbraw/zinc/01/29/56/557012956.db2.gz	BYHJJDGGZQFQDB-PXLXIMEGSA-N	-1	0	446.528	5.071	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000408529117	557031357	/nfs/dbraw/zinc/03/13/57/557031357.db2.gz	GZCTWPIMXJAVOA-ZROIWOOFSA-N	-1	0	449.692	5.038	40	10		IKCBRM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000408533608	557032403	/nfs/dbraw/zinc/03/24/03/557032403.db2.gz	ONGGIZJDZGCLDB-ZROIWOOFSA-N	-1	0	439.140	5.783	40	10		IKCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000409222228	557044367	/nfs/dbraw/zinc/04/43/67/557044367.db2.gz	WFYIHSTWFWJIEF-MOSHPQCFSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1	ZINC000409229577	557055618	/nfs/dbraw/zinc/05/56/18/557055618.db2.gz	RJVZCFGWPDMTLB-HZHRSRAPSA-N	-1	0	442.540	5.429	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2)cc1	ZINC000409232908	557061580	/nfs/dbraw/zinc/06/15/80/557061580.db2.gz	IZNGCSKOVVOHNG-RCCKNPSSSA-N	-1	0	428.513	5.121	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)c1	ZINC000409339655	557067639	/nfs/dbraw/zinc/06/76/39/557067639.db2.gz	KCRBYPAFHXKTLA-UDWIEESQSA-N	-1	0	435.526	5.667	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1C	ZINC000408601881	557068531	/nfs/dbraw/zinc/06/85/31/557068531.db2.gz	LXFRBAXQXILRKI-BOPFTXTBSA-N	-1	0	438.842	5.022	40	10		IKCBRM
CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])o1	ZINC000408632188	557073585	/nfs/dbraw/zinc/07/35/85/557073585.db2.gz	OOYLIEUSCFHVRP-JCMHNJIXSA-N	-1	0	445.544	5.924	40	10		IKCBRM
Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000408632315	557073649	/nfs/dbraw/zinc/07/36/49/557073649.db2.gz	DEOVXGBBWKIHAU-NDENLUEZSA-N	-1	0	434.477	5.096	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)cc1	ZINC000409350257	557078122	/nfs/dbraw/zinc/07/81/22/557078122.db2.gz	XFFUWLMKDMYLJE-UDWIEESQSA-N	-1	0	435.526	5.667	40	10		IKCBRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000409237674	557079216	/nfs/dbraw/zinc/07/92/16/557079216.db2.gz	KUBAACWAPDQMPU-HLVNSREUSA-N	-1	0	449.359	5.002	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1C	ZINC000208236834	557079786	/nfs/dbraw/zinc/07/97/86/557079786.db2.gz	XLUOAMHMIONCAQ-RSZPVBOMSA-N	-1	0	445.563	5.000	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)cc1	ZINC000208305735	557080033	/nfs/dbraw/zinc/08/00/33/557080033.db2.gz	HJHFRUGTUQLLQB-HRKXOBMBSA-N	-1	0	445.563	5.028	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O	ZINC000409252355	557081003	/nfs/dbraw/zinc/08/10/03/557081003.db2.gz	XKUKECVKWYSWNU-LFIBNONCSA-N	-1	0	441.270	5.228	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C	ZINC000208514145	557093301	/nfs/dbraw/zinc/09/33/01/557093301.db2.gz	DUFBQOJTOROMGQ-UDWIEESQSA-N	-1	0	449.938	5.028	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc5ccccc5c4)c3=O)n2)cc1	ZINC000100510813	557115749	/nfs/dbraw/zinc/11/57/49/557115749.db2.gz	ADMTZQNLIIVACB-PLFNIDSXSA-N	-1	0	441.516	5.847	40	10		IKCBRM
CC(=Nc1ccccc1OC(F)(F)F)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000103921370	557141116	/nfs/dbraw/zinc/14/11/16/557141116.db2.gz	IFDDKBNHRHZIRA-PGMHBOJBSA-N	-1	0	437.421	5.722	40	10		IKCBRM
CCOc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	ZINC000408736105	557143597	/nfs/dbraw/zinc/14/35/97/557143597.db2.gz	FMPDNRJLIHSUFY-VHSZZVNMSA-N	-1	0	441.527	6.189	40	10		IKCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O	ZINC000005947742	557144879	/nfs/dbraw/zinc/14/48/79/557144879.db2.gz	XJXUDBOHODFYFK-RQZCQDPDSA-N	-1	0	442.302	5.318	40	10		IKCBRM
O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2	ZINC000008442968	557169941	/nfs/dbraw/zinc/16/99/41/557169941.db2.gz	JYZXGHMEPFMIFM-KEYYUXOJSA-N	-1	0	449.142	5.736	40	10		IKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000008454191	557170038	/nfs/dbraw/zinc/17/00/38/557170038.db2.gz	DJUGLURHSYCLHC-DPLHUUCSSA-N	-1	0	431.919	6.444	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408760601	557178377	/nfs/dbraw/zinc/17/83/77/557178377.db2.gz	BMRCUJHGOJCPIR-STZFKDTASA-N	-1	0	445.902	5.514	40	10		IKCBRM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2Cl)cc1	ZINC000408762990	557182703	/nfs/dbraw/zinc/18/27/03/557182703.db2.gz	DBDYCUURDFTMIF-PXLXIMEGSA-N	-1	0	446.890	5.271	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCC1	ZINC000408777714	557202473	/nfs/dbraw/zinc/20/24/73/557202473.db2.gz	GUUYYSUCZYBEBL-LFIBNONCSA-N	-1	0	446.334	5.193	40	10		IKCBRM
Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000100471416	557262015	/nfs/dbraw/zinc/26/20/15/557262015.db2.gz	GVDFNLGUMKHGRD-IKXBEZASSA-N	-1	0	426.454	5.792	40	10		IKCBRM
O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2ccccc21	ZINC000104389431	557326483	/nfs/dbraw/zinc/32/64/83/557326483.db2.gz	PSQAMBOKSPAGRZ-HXEHWPEMSA-N	-1	0	432.461	6.623	40	10		IKCBRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000222699742	557375827	/nfs/dbraw/zinc/37/58/27/557375827.db2.gz	AKFNTNQDERCJSM-OFAXGOBFSA-N	-1	0	446.576	5.167	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000222699807	557375875	/nfs/dbraw/zinc/37/58/75/557375875.db2.gz	AKFNTNQDERCJSM-SXSPYAJSSA-N	-1	0	446.576	5.167	40	10		IKCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1c2ccccc2cc2ccccc12	ZINC000033366154	557807456	/nfs/dbraw/zinc/80/74/56/557807456.db2.gz	DLRDONRBKVHLJZ-HYARGMPZSA-N	-1	0	442.927	6.318	40	10		IKCBRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033703559	557809190	/nfs/dbraw/zinc/80/91/90/557809190.db2.gz	RIHPKJFKXURTEQ-LPYMAVHISA-N	-1	0	447.535	5.467	40	10		IKCBRM
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(C(=O)[O-])cc3)N4)sc2c1	ZINC000058851172	557812169	/nfs/dbraw/zinc/81/21/69/557812169.db2.gz	OADQNSSFLLYMPT-RNHFSVANSA-N	-1	0	438.552	6.796	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	ZINC000058928766	557813289	/nfs/dbraw/zinc/81/32/89/557813289.db2.gz	VADMMLPXXOXVOK-BWACUDIHSA-N	-1	0	449.688	5.535	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	ZINC000058928771	557813346	/nfs/dbraw/zinc/81/33/46/557813346.db2.gz	CNLHICBEXBFDHY-LIBAHTEVSA-N	-1	0	439.136	6.281	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1F	ZINC000059135638	557815389	/nfs/dbraw/zinc/81/53/89/557815389.db2.gz	UTTFTBRDIOLRRQ-CPNJWEJPSA-N	-1	0	434.398	5.051	40	10		IKCBRM
CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c2C)cc1	ZINC000059135932	557815578	/nfs/dbraw/zinc/81/55/78/557815578.db2.gz	KVHCEGAHPAMALE-XSFVSMFZSA-N	-1	0	447.535	5.467	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000059135868	557815628	/nfs/dbraw/zinc/81/56/28/557815628.db2.gz	ICKYQAMAVWMTTP-DEDYPNTBSA-N	-1	0	447.535	5.522	40	10		IKCBRM
CCc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000059137973	557816018	/nfs/dbraw/zinc/81/60/18/557816018.db2.gz	AZJPCMWFIBISRK-XSFVSMFZSA-N	-1	0	448.569	5.973	40	10		IKCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1	ZINC000059137927	557816046	/nfs/dbraw/zinc/81/60/46/557816046.db2.gz	CKMMNYSTUZIOEO-XSFVSMFZSA-N	-1	0	448.500	5.645	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1	ZINC000059109532	557820468	/nfs/dbraw/zinc/82/04/68/557820468.db2.gz	ZPMUQEFXIIEIRG-UDWIEESQSA-N	-1	0	439.943	5.691	40	10		IKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21	ZINC000059437000	557820999	/nfs/dbraw/zinc/82/09/99/557820999.db2.gz	WMCFFGFQUFWHNJ-UMFSSWHCSA-N	-1	0	445.946	6.752	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)c(C)c1	ZINC000059860628	557827870	/nfs/dbraw/zinc/82/78/70/557827870.db2.gz	OYPGCULNLPMKCC-RCCKNPSSSA-N	-1	0	426.472	5.389	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)c1	ZINC000002231093	569210413	/nfs/dbraw/zinc/21/04/13/569210413.db2.gz	KNBVFKYFERGHOR-BUVRLJJBSA-N	-1	0	449.510	5.813	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1	ZINC000034713532	569260039	/nfs/dbraw/zinc/26/00/39/569260039.db2.gz	HFJSIVHGJGPBHH-PDGQHHTCSA-N	-1	0	439.298	5.034	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208305263	569261221	/nfs/dbraw/zinc/26/12/21/569261221.db2.gz	SQLNRXBQOGTECE-SDLXJUDFSA-N	-1	0	445.563	5.082	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208308284	569261286	/nfs/dbraw/zinc/26/12/86/569261286.db2.gz	ONDIUMMIFSNZDD-AQRZYSDFSA-N	-1	0	445.563	5.082	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1C	ZINC000260572621	569281316	/nfs/dbraw/zinc/28/13/16/569281316.db2.gz	XLUOAMHMIONCAQ-VYVDHXHBSA-N	-1	0	445.563	5.000	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000260759058	569281537	/nfs/dbraw/zinc/28/15/37/569281537.db2.gz	DYUQYWLLJGAXCP-LEOXJPRUSA-N	-1	0	446.576	5.167	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000002369034	132252999	/nfs/dbraw/zinc/25/29/99/132252999.db2.gz	MHPNWXCWIYCGBB-FYJGNVAPSA-N	-1	0	433.508	5.213	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	ZINC000008935132	132298249	/nfs/dbraw/zinc/29/82/49/132298249.db2.gz	WXZHYNIYTFJYOW-UKFDBNNRSA-N	-1	0	448.360	6.042	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008935134	132298510	/nfs/dbraw/zinc/29/85/10/132298510.db2.gz	WXZHYNIYTFJYOW-WPUDHWPRSA-N	-1	0	448.360	6.042	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000033333523	525671356	/nfs/dbraw/zinc/67/13/56/525671356.db2.gz	ZMNVFZSDSAWDOO-LDADJPATSA-N	-1	0	438.892	5.899	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21	ZINC000036040374	526343907	/nfs/dbraw/zinc/34/39/07/526343907.db2.gz	FSJSKGPHUKTDIJ-NVGCLXPQSA-N	-1	0	438.243	5.993	40	10		IKCBRM
O=C1C=CC(=NNc2c(N=Nc3ccccc3)ccc3cc(S(=O)(=O)[O-])ccc32)C=C1	ZINC000003844583	555948076	/nfs/dbraw/zinc/94/80/76/555948076.db2.gz	AGKNWSPMHKJQJZ-OGGGYYITSA-N	-1	0	432.461	6.623	40	10		IKCBRM
CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])o1	ZINC000408631223	556002884	/nfs/dbraw/zinc/00/28/84/556002884.db2.gz	GJPYUWKDAXLEMY-YBEGLDIGSA-N	-1	0	448.342	5.020	40	10		IKCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1	ZINC000004758264	556010116	/nfs/dbraw/zinc/01/01/16/556010116.db2.gz	ANKNQAUREHXSDZ-QSZPNPOGSA-N	-1	0	432.461	6.623	40	10		IKCBRM
COc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1	ZINC000008765553	556211959	/nfs/dbraw/zinc/21/19/59/556211959.db2.gz	CMRCATYMPLGTLG-MNDPQUGUSA-N	-1	0	435.611	5.492	40	10		IKCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000008821413	556222502	/nfs/dbraw/zinc/22/25/02/556222502.db2.gz	XUKGNXYFJMFDNT-VUVCFOEZSA-N	-1	0	435.954	5.445	40	10		IKCBRM
CCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008821607	556223320	/nfs/dbraw/zinc/22/33/20/556223320.db2.gz	YQUVHEMKNIWBHE-JZJYNLBNSA-N	-1	0	449.638	5.882	40	10		IKCBRM
O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1	ZINC000013953654	556344534	/nfs/dbraw/zinc/34/45/34/556344534.db2.gz	KNBBDHBCLKBVLX-UHFFFAOYSA-N	-1	0	429.748	5.027	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)cc2)C1=O	ZINC000408870750	556461812	/nfs/dbraw/zinc/46/18/12/556461812.db2.gz	WTAADCPMNBKARL-XSFVSMFZSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c1	ZINC000408871040	556462139	/nfs/dbraw/zinc/46/21/39/556462139.db2.gz	VHHQVXFXWUXXNA-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c(C)c1	ZINC000408876986	556467841	/nfs/dbraw/zinc/46/78/41/556467841.db2.gz	RTCYGDHBKORRKR-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3cccc(F)c3)C2=O)cc1Cl	ZINC000408879345	556470974	/nfs/dbraw/zinc/47/09/74/556470974.db2.gz	FJJCEAZFAIPSPL-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2Cc2cccc(F)c2)C1=O	ZINC000408882290	556472262	/nfs/dbraw/zinc/47/22/62/556472262.db2.gz	MHJPRMUIQKNAMW-KGENOOAVSA-N	-1	0	448.881	5.045	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1	ZINC000408885230	556473745	/nfs/dbraw/zinc/47/37/45/556473745.db2.gz	YLYNYQOKBKAWKX-CJLVFECKSA-N	-1	0	444.918	5.160	40	10		IKCBRM
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408895290	556480564	/nfs/dbraw/zinc/48/05/64/556480564.db2.gz	DRIUEALYBJONGZ-FSTGKYBXSA-N	-1	0	442.515	5.300	40	10		IKCBRM
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408897901	556485110	/nfs/dbraw/zinc/48/51/10/556485110.db2.gz	JNTFGVLQQTZZKW-HFITWMCCSA-N	-1	0	448.906	5.337	40	10		IKCBRM
CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000016610421	556617537	/nfs/dbraw/zinc/61/75/37/556617537.db2.gz	UGYAXVWQMBJZHI-GPLLRDDGSA-N	-1	0	444.940	5.198	40	10		IKCBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000408975922	556623759	/nfs/dbraw/zinc/62/37/59/556623759.db2.gz	CUKVMRXTGAUPCP-MHWRWJLKSA-N	-1	0	433.678	5.368	40	10		IKCBRM
CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000016693109	556627950	/nfs/dbraw/zinc/62/79/50/556627950.db2.gz	KESHAXOCTJHKKU-ATVHPVEESA-N	-1	0	427.287	5.007	40	10		IKCBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000408981055	556654454	/nfs/dbraw/zinc/65/44/54/556654454.db2.gz	YNZGEGRAAGPKON-GZTJUZNOSA-N	-1	0	432.785	5.080	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)c1	ZINC000083327749	556663799	/nfs/dbraw/zinc/66/37/99/556663799.db2.gz	JEEWUJPJLYUDEA-KGENOOAVSA-N	-1	0	446.890	5.734	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408984319	556685014	/nfs/dbraw/zinc/68/50/14/556685014.db2.gz	GSBRVPCMDZLDNF-XMHGGMMESA-N	-1	0	445.902	5.908	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408759310	556686744	/nfs/dbraw/zinc/68/67/44/556686744.db2.gz	BZHAUZQBBDOGHQ-RGEXLXHISA-N	-1	0	431.875	5.518	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1Cl	ZINC000408987546	556691440	/nfs/dbraw/zinc/69/14/40/556691440.db2.gz	PAMDQUKIBJYCGI-MOSHPQCFSA-N	-1	0	432.863	5.107	40	10		IKCBRM
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000409041713	556749604	/nfs/dbraw/zinc/74/96/04/556749604.db2.gz	JIAPFSRQKYSKJG-FPYGCLRLSA-N	-1	0	437.151	5.201	40	10		IKCBRM
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000409039771	556750441	/nfs/dbraw/zinc/75/04/41/556750441.db2.gz	DKUWSBMRKKHGTF-LICLKQGHSA-N	-1	0	447.318	5.065	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409132746	556843375	/nfs/dbraw/zinc/84/33/75/556843375.db2.gz	KRQOXICDMDBPOO-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408797998	556857416	/nfs/dbraw/zinc/85/74/16/556857416.db2.gz	HORKWAAGNNPXDN-XMHGGMMESA-N	-1	0	448.906	5.257	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1Cl	ZINC000408865459	556873354	/nfs/dbraw/zinc/87/33/54/556873354.db2.gz	CNUVFXZVAKSMKJ-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000409143773	556873873	/nfs/dbraw/zinc/87/38/73/556873873.db2.gz	HQVDJLALSZAUNR-LFIBNONCSA-N	-1	0	433.291	5.048	40	10		IKCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2F)C1=O	ZINC000408868693	556874052	/nfs/dbraw/zinc/87/40/52/556874052.db2.gz	AUOPHQYRVGZJEJ-DEDYPNTBSA-N	-1	0	448.881	5.045	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	ZINC000409150752	556876515	/nfs/dbraw/zinc/87/65/15/556876515.db2.gz	DJYHRQDVYMGMAQ-SXGZJXTBSA-N	-1	0	444.325	5.299	40	10		IKCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2cccc(F)c2)C1=O	ZINC000408876290	556876591	/nfs/dbraw/zinc/87/65/91/556876591.db2.gz	OJWZTGFKCKULDN-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c(C)c1	ZINC000408877412	556877146	/nfs/dbraw/zinc/87/71/46/556877146.db2.gz	RLVJMHAKRUYRBF-RCCKNPSSSA-N	-1	0	444.918	5.214	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cc(C)cc(C)c3)cc2)C1=O	ZINC000408878833	556877515	/nfs/dbraw/zinc/87/75/15/556877515.db2.gz	CEZKFROYNWQRIP-ULJHMMPZSA-N	-1	0	438.527	5.123	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O	ZINC000408881193	556878218	/nfs/dbraw/zinc/87/82/18/556878218.db2.gz	IKBNGQNBAAHDPU-DEDYPNTBSA-N	-1	0	448.881	5.045	40	10		IKCBRM
CCn1c2ccccc2c2cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)ccc21	ZINC000408899388	556882128	/nfs/dbraw/zinc/88/21/28/556882128.db2.gz	OXGBLKXYEZNUNP-PXLXIMEGSA-N	-1	0	437.499	5.098	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408901418	556882651	/nfs/dbraw/zinc/88/26/51/556882651.db2.gz	FBYZTNLYJDPPAL-FYJGNVAPSA-N	-1	0	448.569	5.507	40	10		IKCBRM
CCn1c2ccccc2c2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)ccc21	ZINC000408901527	556882833	/nfs/dbraw/zinc/88/28/33/556882833.db2.gz	YNWNMSQWKDBYTD-XSFVSMFZSA-N	-1	0	443.890	5.134	40	10		IKCBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1Cl	ZINC000408941426	556896925	/nfs/dbraw/zinc/89/69/25/556896925.db2.gz	DOTOQRDNWCNLPE-UHFFFAOYSA-N	-1	0	434.717	5.586	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Br)c1	ZINC000408948124	556898702	/nfs/dbraw/zinc/89/87/02/556898702.db2.gz	OUSRBJXNOZEYDB-UHFFFAOYSA-N	-1	0	449.142	5.687	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)[O-])c3C)C2=O)cc1	ZINC000408983391	556908151	/nfs/dbraw/zinc/90/81/51/556908151.db2.gz	BMZYGTURPAALJS-LTGZKZEYSA-N	-1	0	425.484	5.563	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1C	ZINC000408985007	556908953	/nfs/dbraw/zinc/90/89/53/556908953.db2.gz	KFCPXMNEGAHIFC-XDHOZWIPSA-N	-1	0	448.563	5.270	40	10		IKCBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	ZINC000408986056	556909296	/nfs/dbraw/zinc/90/92/96/556909296.db2.gz	OQPYPQJRYFATDB-WOJGMQOQSA-N	-1	0	436.294	6.163	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)[O-])ccc3Cl)C2=O)cc1	ZINC000408987813	556910289	/nfs/dbraw/zinc/91/02/89/556910289.db2.gz	YNXGTWXSIQQPAP-XSFVSMFZSA-N	-1	0	445.902	5.908	40	10		IKCBRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000409019669	556924040	/nfs/dbraw/zinc/92/40/40/556924040.db2.gz	KCPJCWAZAYVNCZ-SEJMYLSOSA-N	-1	0	449.359	5.002	40	10		IKCBRM
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409041352	556929291	/nfs/dbraw/zinc/92/92/91/556929291.db2.gz	ZXUVQTXFNLWPKQ-FARCUNLSSA-N	-1	0	437.151	5.201	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)[N-]C2=S)c1C	ZINC000409141962	556972798	/nfs/dbraw/zinc/97/27/98/556972798.db2.gz	JVOHRMGFKPRXKX-RCCKNPSSSA-N	-1	0	444.581	5.286	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	ZINC000409150750	556975007	/nfs/dbraw/zinc/97/50/07/556975007.db2.gz	DJYHRQDVYMGMAQ-SIFCLUCFSA-N	-1	0	444.325	5.299	40	10		IKCBRM
O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1ccc(F)c(Cl)c1	ZINC000409182266	556989768	/nfs/dbraw/zinc/98/97/68/556989768.db2.gz	JRAHRQXWGJQGTK-MKMNVTDBSA-N	-1	0	444.734	5.353	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1	ZINC000409231169	557023006	/nfs/dbraw/zinc/02/30/06/557023006.db2.gz	IKASHALEQCHRQH-XQNSMLJCSA-N	-1	0	442.540	5.375	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1	ZINC000409211782	557025250	/nfs/dbraw/zinc/02/52/50/557025250.db2.gz	MZPRWGXAZCJVOI-STZFKDTASA-N	-1	0	433.485	5.232	40	10		IKCBRM
CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408541402	557033603	/nfs/dbraw/zinc/03/36/03/557033603.db2.gz	ZJLOFBONQUOKAB-CYVLTUHYSA-N	-1	0	442.968	5.130	40	10		IKCBRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl	ZINC000408586804	557045918	/nfs/dbraw/zinc/04/59/18/557045918.db2.gz	RCRURKQFYARQKC-UHFFFAOYSA-N	-1	0	436.316	5.034	40	10		IKCBRM
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409231453	557058485	/nfs/dbraw/zinc/05/84/85/557058485.db2.gz	KIZWVDJZYDPZFG-LBSLPOPVSA-N	-1	0	444.556	5.157	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)cc1C	ZINC000409339668	557067518	/nfs/dbraw/zinc/06/75/18/557067518.db2.gz	KHGABXZUZDPGRA-MTJSOVHGSA-N	-1	0	449.553	5.976	40	10		IKCBRM
CCN(CC)c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1	ZINC000408635259	557077205	/nfs/dbraw/zinc/07/72/05/557077205.db2.gz	YQXFOJOCMSGINC-AQTBWJFISA-N	-1	0	428.945	5.189	40	10		IKCBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C	ZINC000409242077	557079759	/nfs/dbraw/zinc/07/97/59/557079759.db2.gz	UJOQMKZEBHTAQH-HZHRSRAPSA-N	-1	0	443.572	5.049	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C	ZINC000208231636	557079874	/nfs/dbraw/zinc/07/98/74/557079874.db2.gz	AAWBSGAVXRVQGX-ZFJBLLOBSA-N	-1	0	445.563	5.000	40	10		IKCBRM
Cc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1N1CCCC1	ZINC000408633622	557082112	/nfs/dbraw/zinc/08/21/12/557082112.db2.gz	KYVGNSIGPXLIAE-CPNJWEJPSA-N	-1	0	441.940	5.516	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	ZINC000208503362	557093333	/nfs/dbraw/zinc/09/33/33/557093333.db2.gz	CARNARDCIJHXPC-DEDYPNTBSA-N	-1	0	449.938	5.028	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1	ZINC000100525086	557114698	/nfs/dbraw/zinc/11/46/98/557114698.db2.gz	KXTBUYNEEDWFQJ-AWZKZOKMSA-N	-1	0	440.326	5.448	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100525299	557114771	/nfs/dbraw/zinc/11/47/71/557114771.db2.gz	FNTMRPMVBBKTLI-AWZKZOKMSA-N	-1	0	440.872	5.247	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C	ZINC000100524908	557114818	/nfs/dbraw/zinc/11/48/18/557114818.db2.gz	LUSCOIQLEKZFLW-VQERKYHCSA-N	-1	0	448.508	5.519	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000100525457	557114823	/nfs/dbraw/zinc/11/48/23/557114823.db2.gz	KQJTYOKTKSDBDK-DUPNKOKHSA-N	-1	0	440.872	5.247	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc5ccccc54)c3=O)n2)cc1	ZINC000100510759	557115745	/nfs/dbraw/zinc/11/57/45/557115745.db2.gz	XMAMWZYMTSQVTA-PLFNIDSXSA-N	-1	0	441.516	5.847	40	10		IKCBRM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	ZINC000409339005	557116262	/nfs/dbraw/zinc/11/62/62/557116262.db2.gz	DBFSEDNXHIQEBB-NSIKDUERSA-N	-1	0	427.290	5.013	40	10		IKCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=S	ZINC000409345887	557126792	/nfs/dbraw/zinc/12/67/92/557126792.db2.gz	LTIPVCUCXPGKBZ-NDENLUEZSA-N	-1	0	435.526	5.667	40	10		IKCBRM
O=C([N-]N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)c1cccs1	ZINC000409350228	557129350	/nfs/dbraw/zinc/12/93/50/557129350.db2.gz	QZOFVEWHPQFYNT-QGOAFFKASA-N	-1	0	438.555	5.087	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl	ZINC000103918774	557140330	/nfs/dbraw/zinc/14/03/30/557140330.db2.gz	MHVIRAJIIYENNM-UNOMPAQXSA-N	-1	0	445.375	6.492	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC	ZINC000103918252	557140896	/nfs/dbraw/zinc/14/08/96/557140896.db2.gz	HNNLQTDVCHIZHU-STZFKDTASA-N	-1	0	436.537	5.202	40	10		IKCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3/C=C(c4ccc(Br)cc4)OC3=O)o2)c1	ZINC000408741848	557149680	/nfs/dbraw/zinc/14/96/80/557149680.db2.gz	LLUIVVRISXNTDI-WJDWOHSUSA-N	-1	0	437.245	5.389	40	10		IKCBRM
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000006674851	557156607	/nfs/dbraw/zinc/15/66/07/557156607.db2.gz	WNXJXDROWLOFBL-XDHOZWIPSA-N	-1	0	437.498	5.059	40	10		IKCBRM
Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)c1	ZINC000106708029	557158259	/nfs/dbraw/zinc/15/82/59/557158259.db2.gz	KJLLGOBTSDYYLB-MTJSOVHGSA-N	-1	0	433.485	5.498	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000408756680	557168731	/nfs/dbraw/zinc/16/87/31/557168731.db2.gz	UAJBQKLDEVTSAN-ATVHPVEESA-N	-1	0	447.874	5.224	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000408763269	557183139	/nfs/dbraw/zinc/18/31/39/557183139.db2.gz	MLMQMGMCNMXMGG-WSDLNYQXSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000408772822	557198558	/nfs/dbraw/zinc/19/85/58/557198558.db2.gz	RQXWEFJPNSUICA-FYJGNVAPSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000408781079	557203152	/nfs/dbraw/zinc/20/31/52/557203152.db2.gz	RHJFTDDAJXEEQE-XSFVSMFZSA-N	-1	0	426.428	5.073	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc2ccccc21	ZINC000408783379	557207015	/nfs/dbraw/zinc/20/70/15/557207015.db2.gz	KVAXFFKGWQXHNL-LFVJCYFKSA-N	-1	0	449.510	5.222	40	10		IKCBRM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccccc3Sc3ccccc3)c2=O)cc1	ZINC000112289258	557238461	/nfs/dbraw/zinc/23/84/61/557238461.db2.gz	LUDRYIHTUYANPH-ULJHMMPZSA-N	-1	0	429.545	5.955	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	ZINC000408837416	557258193	/nfs/dbraw/zinc/25/81/93/557258193.db2.gz	FAKMZRQAAIKLSC-VHSZZVNMSA-N	-1	0	441.527	6.107	40	10		IKCBRM
Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000100471414	557261985	/nfs/dbraw/zinc/26/19/85/557261985.db2.gz	GVDFNLGUMKHGRD-QGXHWJRTSA-N	-1	0	426.454	5.792	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(Cl)c4)c3=O)n2)cc1	ZINC000100510838	557263095	/nfs/dbraw/zinc/26/30/95/557263095.db2.gz	MYHNVTIBJXPBLV-FTGFMQHASA-N	-1	0	425.901	5.347	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000103560306	557316560	/nfs/dbraw/zinc/31/65/60/557316560.db2.gz	JTMXFYHEGMFPPR-FYTMPNSFSA-N	-1	0	434.481	5.210	40	10		IKCBRM
O=C(Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O)c1ccccc1	ZINC000104367069	557325779	/nfs/dbraw/zinc/32/57/79/557325779.db2.gz	KQVIHDHUXAVUES-QPLCGJKRSA-N	-1	0	447.472	5.460	40	10		IKCBRM
COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1Cl	ZINC000014153063	557423848	/nfs/dbraw/zinc/42/38/48/557423848.db2.gz	MYYRKMXMRLNUEZ-UHFFFAOYSA-N	-1	0	447.318	5.126	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O	ZINC000223488413	557478330	/nfs/dbraw/zinc/47/83/30/557478330.db2.gz	FUPZGSRVJVXSSK-KGENOOAVSA-N	-1	0	443.547	5.072	40	10		IKCBRM
Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C	ZINC000223509668	557480649	/nfs/dbraw/zinc/48/06/49/557480649.db2.gz	XXXKWXGGROQKKI-HYARGMPZSA-N	-1	0	443.547	5.072	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223533195	557482849	/nfs/dbraw/zinc/48/28/49/557482849.db2.gz	YLEJFEVQMHULSS-OVBDPADQSA-N	-1	0	445.563	5.082	40	10		IKCBRM
CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1	ZINC000017094431	557484466	/nfs/dbraw/zinc/48/44/66/557484466.db2.gz	GRBMCMPSNNMWHV-NKFKGCMQSA-N	-1	0	425.488	5.000	40	10		IKCBRM
CC(C)N1c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223551144	557485003	/nfs/dbraw/zinc/48/50/03/557485003.db2.gz	AQKWCWFQPQEVOC-JPOGYNCRSA-N	-1	0	447.604	5.019	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1	ZINC000223552146	557485015	/nfs/dbraw/zinc/48/50/15/557485015.db2.gz	QLOIOLNGZNWLDE-OVBDPADQSA-N	-1	0	445.563	5.162	40	10		IKCBRM
CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc(OC)cc2)[n-]c1-c1ccccc1	ZINC000017095421	557486358	/nfs/dbraw/zinc/48/63/58/557486358.db2.gz	VYXDDTGJPIAUHM-MOHJPFBDSA-N	-1	0	427.504	5.231	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223582287	557488594	/nfs/dbraw/zinc/48/85/94/557488594.db2.gz	SOQRKGVHHITIBZ-SXZORUHJSA-N	-1	0	445.563	5.082	40	10		IKCBRM
COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000033409495	557808138	/nfs/dbraw/zinc/80/81/38/557808138.db2.gz	XVKABSWSIUSPOY-PDGQHHTCSA-N	-1	0	438.892	5.280	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000059135058	557814984	/nfs/dbraw/zinc/81/49/84/557814984.db2.gz	UIONUXWXMBRHAF-OEAKJJBVSA-N	-1	0	445.494	5.863	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1	ZINC000059135052	557815033	/nfs/dbraw/zinc/81/50/33/557815033.db2.gz	KJRLUHGLKACGAB-DEDYPNTBSA-N	-1	0	434.398	5.051	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1	ZINC000059134988	557815089	/nfs/dbraw/zinc/81/50/89/557815089.db2.gz	AONZLDNVYTYTSN-FYJGNVAPSA-N	-1	0	434.398	5.051	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000059136230	557815900	/nfs/dbraw/zinc/81/59/00/557815900.db2.gz	RCSLHWOPJSEJST-CPNJWEJPSA-N	-1	0	447.535	5.522	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137422	557816034	/nfs/dbraw/zinc/81/60/34/557816034.db2.gz	PKZRPFQOPGIUSO-CIAFOILYSA-N	-1	0	447.535	5.522	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)o2)cc1	ZINC000059137969	557816147	/nfs/dbraw/zinc/81/61/47/557816147.db2.gz	MNLXXARIYNRYRJ-FOWTUZBSSA-N	-1	0	438.505	5.550	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000059138107	557816289	/nfs/dbraw/zinc/81/62/89/557816289.db2.gz	FEMRZTSNMBRXAF-ACCUITESSA-N	-1	0	434.279	5.083	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000059194101	557818257	/nfs/dbraw/zinc/81/82/57/557818257.db2.gz	WGMSQOMQCOOSNC-NDENLUEZSA-N	-1	0	439.298	5.034	40	10		IKCBRM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	ZINC000002218257	569204264	/nfs/dbraw/zinc/20/42/64/569204264.db2.gz	HMELNVRBDFFHHJ-FLVDCRJSSA-N	-1	0	441.531	6.114	40	10		IKCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1Cl	ZINC000033616608	569259415	/nfs/dbraw/zinc/25/94/15/569259415.db2.gz	MHCWSDKXYMVVIY-SFQUDFHCSA-N	-1	0	436.294	6.163	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000260752941	569281506	/nfs/dbraw/zinc/28/15/06/569281506.db2.gz	AKFNTNQDERCJSM-LEOXJPRUSA-N	-1	0	446.576	5.167	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000260759066	569281511	/nfs/dbraw/zinc/28/15/11/569281511.db2.gz	DYUQYWLLJGAXCP-YSZBQJHXSA-N	-1	0	446.576	5.167	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000260752949	569281513	/nfs/dbraw/zinc/28/15/13/569281513.db2.gz	AKFNTNQDERCJSM-YSZBQJHXSA-N	-1	0	446.576	5.167	40	10		IKCBRM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1	ZINC000035146606	524492405	/nfs/dbraw/zinc/49/24/05/524492405.db2.gz	UINRCLRCWIBRRC-LPYMAVHISA-N	-1	0	439.471	5.093	40	10		IKCBRM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	ZINC000035223930	526342455	/nfs/dbraw/zinc/34/24/55/526342455.db2.gz	YCWQSERZYUZDGC-ZQIUZPCESA-N	-1	0	449.142	5.736	40	10		IKCBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1c(C)c(C)c(Br)cc1[N+](=O)[O-]	ZINC000408536770	555765924	/nfs/dbraw/zinc/76/59/24/555765924.db2.gz	XYUGDADJQIIUOY-YBEGLDIGSA-N	-1	0	443.301	5.001	40	10		IKCBRM
CCN(Cc1ccccc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])c1	ZINC000004523129	555999286	/nfs/dbraw/zinc/99/92/86/555999286.db2.gz	GAHIPYIXWHPTTH-GHVJWSGMSA-N	-1	0	440.481	5.283	40	10		IKCBRM
CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])o1	ZINC000408631491	556002797	/nfs/dbraw/zinc/00/27/97/556002797.db2.gz	JOPXIZXZUFBEJI-PXNMLYILSA-N	-1	0	438.336	5.564	40	10		IKCBRM
CN(C)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008766437	556212295	/nfs/dbraw/zinc/21/22/95/556212295.db2.gz	NOLXNYFDZIJJEV-JZJYNLBNSA-N	-1	0	448.654	5.549	40	10		IKCBRM
CC(C)(C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000008821447	556222807	/nfs/dbraw/zinc/22/28/07/556222807.db2.gz	UKLSVEDWEMGDCW-RIYZIHGNSA-N	-1	0	442.345	5.318	40	10		IKCBRM
Cc1ccc(COc2ccccc2C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1	ZINC000008821682	556223298	/nfs/dbraw/zinc/22/32/98/556223298.db2.gz	JFRHKCNTFMQOKG-HMAPJEAMSA-N	-1	0	444.512	5.355	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1	ZINC000408869871	556461278	/nfs/dbraw/zinc/46/12/78/556461278.db2.gz	SFAGUSWKYFEGLV-KOEQRZSOSA-N	-1	0	438.527	5.123	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c1	ZINC000408873451	556462973	/nfs/dbraw/zinc/46/29/73/556462973.db2.gz	UGSWOKDFWBIPQE-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2C)cc1	ZINC000015012617	556483804	/nfs/dbraw/zinc/48/38/04/556483804.db2.gz	WBIBGHFSOVMRPJ-ULJHMMPZSA-N	-1	0	441.531	5.103	40	10		IKCBRM
COc1ccccc1/N=N/c1c(/N=N\c2ccccc2)ccc2cc(S(=O)(=O)[O-])ccc21	ZINC000013402297	556504543	/nfs/dbraw/zinc/50/45/43/556504543.db2.gz	IUZMVAFDXAIVQO-KEWZEWDVSA-N	-1	0	446.488	6.926	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H](c1ccccc1)CCN3[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000015188079	556509862	/nfs/dbraw/zinc/50/98/62/556509862.db2.gz	VXYAZKHVXNXSCN-DUOVIKOCSA-N	-1	0	441.958	6.795	40	10		IKCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1	ZINC000033319783	556561428	/nfs/dbraw/zinc/56/14/28/556561428.db2.gz	GMSQHSMYDPMWBB-STZFKDTASA-N	-1	0	442.471	5.089	40	10		IKCBRM
Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000017145577	556669908	/nfs/dbraw/zinc/66/99/08/556669908.db2.gz	GVDFNLGUMKHGRD-LPRDPYTISA-N	-1	0	426.454	5.792	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])cc3C)C2=O)cc1	ZINC000408985874	556687694	/nfs/dbraw/zinc/68/76/94/556687694.db2.gz	NULITUBJZZSHDF-CJLVFECKSA-N	-1	0	425.484	5.563	40	10		IKCBRM
CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	ZINC000409046128	556755525	/nfs/dbraw/zinc/75/55/25/556755525.db2.gz	ISUULBGLSNJWDD-CXUHLZMHSA-N	-1	0	447.318	5.065	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000408778121	556853775	/nfs/dbraw/zinc/85/37/75/556853775.db2.gz	BKJXTXUNYBTADX-DEDYPNTBSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000408781108	556854511	/nfs/dbraw/zinc/85/45/11/556854511.db2.gz	AHNKCVRNCWOQIJ-DEDYPNTBSA-N	-1	0	426.428	5.073	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1	ZINC000408783116	556855010	/nfs/dbraw/zinc/85/50/10/556855010.db2.gz	KDOGXPLDYQKEHI-UDWIEESQSA-N	-1	0	434.879	5.192	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000408783120	556855059	/nfs/dbraw/zinc/85/50/59/556855059.db2.gz	KGOPDHUERKTBTC-FYJGNVAPSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000408781628	556855891	/nfs/dbraw/zinc/85/58/91/556855891.db2.gz	DBHGPRARMMDLOH-BUVRLJJBSA-N	-1	0	441.531	5.192	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c1	ZINC000408879851	556876100	/nfs/dbraw/zinc/87/61/00/556876100.db2.gz	HHQDFHNISRIHOL-FYJGNVAPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1	ZINC000408876699	556876943	/nfs/dbraw/zinc/87/69/43/556876943.db2.gz	QBKAQOKKNOTZMC-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc2ccccc12	ZINC000408877503	556877164	/nfs/dbraw/zinc/87/71/64/556877164.db2.gz	RYLJNMNIJKLMIH-KOEQRZSOSA-N	-1	0	448.478	5.085	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1	ZINC000408883462	556877563	/nfs/dbraw/zinc/87/75/63/556877563.db2.gz	PUDXKSSDYSMUJJ-KGENOOAVSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000409154528	556879045	/nfs/dbraw/zinc/87/90/45/556879045.db2.gz	KGPOYMYHPINURS-UZINWLIJSA-N	-1	0	427.569	6.812	40	10		IKCBRM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000408903558	556886137	/nfs/dbraw/zinc/88/61/37/556886137.db2.gz	ZSFRHYMCEYIOIK-WOJGMQOQSA-N	-1	0	441.917	5.704	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000408912297	556886299	/nfs/dbraw/zinc/88/62/99/556886299.db2.gz	QGUNWRVZLRDJBJ-YBEGLDIGSA-N	-1	0	445.233	5.059	40	10		IKCBRM
Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000408948799	556898633	/nfs/dbraw/zinc/89/86/33/556898633.db2.gz	GYARYGRTIMSAHV-ZMOGYAJESA-N	-1	0	440.543	5.129	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000408952481	556898859	/nfs/dbraw/zinc/89/88/59/556898859.db2.gz	WCUPWLFBAKTZLS-UHFFFAOYSA-N	-1	0	428.237	6.487	40	10		IKCBRM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408984693	556910884	/nfs/dbraw/zinc/91/08/84/556910884.db2.gz	JFBZKIGAUSDZHS-XQNSMLJCSA-N	-1	0	425.484	5.250	40	10		IKCBRM
O=C(Nc1ccc(Cl)cc1)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCC2	ZINC000409060698	556937596	/nfs/dbraw/zinc/93/75/96/556937596.db2.gz	TWAPOQSOJQOIFH-UHFFFAOYSA-N	-1	0	446.981	5.333	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000409162700	556981246	/nfs/dbraw/zinc/98/12/46/556981246.db2.gz	HCNFLJQBWFTNKC-MVERNJQCSA-N	-1	0	427.569	6.812	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000409162697	556981256	/nfs/dbraw/zinc/98/12/56/556981256.db2.gz	HCNFLJQBWFTNKC-JQYIIUTOSA-N	-1	0	427.569	6.812	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000409212613	557007174	/nfs/dbraw/zinc/00/71/74/557007174.db2.gz	RJDBEWYBQXPHED-YBFXNURJSA-N	-1	0	439.876	5.848	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	ZINC000409228039	557014948	/nfs/dbraw/zinc/01/49/48/557014948.db2.gz	STAOSVCAQHQAQL-PXLXIMEGSA-N	-1	0	428.513	5.121	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1C1CCCCC1	ZINC000409244649	557026739	/nfs/dbraw/zinc/02/67/39/557026739.db2.gz	GUUCQMLXDPEGTE-QGOAFFKASA-N	-1	0	441.984	5.095	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C1CCCCC1	ZINC000409245845	557027572	/nfs/dbraw/zinc/02/75/72/557027572.db2.gz	ZUANDDNRQYMKDD-KGENOOAVSA-N	-1	0	435.593	5.058	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000408532164	557032002	/nfs/dbraw/zinc/03/20/02/557032002.db2.gz	PVLGNOOOVKPLNT-GDNBJRDFSA-N	-1	0	443.301	5.001	40	10		IKCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1	ZINC000409243139	557033144	/nfs/dbraw/zinc/03/31/44/557033144.db2.gz	YZFADPHZYZBEED-KGENOOAVSA-N	-1	0	449.963	5.085	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000409327974	557062283	/nfs/dbraw/zinc/06/22/83/557062283.db2.gz	ONDRKIFMTVAJMF-YBFXNURJSA-N	-1	0	439.489	5.498	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)cc1C	ZINC000409328490	557062549	/nfs/dbraw/zinc/06/25/49/557062549.db2.gz	WJAFNJMZKYNIAK-MTJSOVHGSA-N	-1	0	449.553	5.976	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)o1	ZINC000409346619	557074899	/nfs/dbraw/zinc/07/48/99/557074899.db2.gz	NGPNLESZZKEXSY-YBFXNURJSA-N	-1	0	439.489	5.498	40	10		IKCBRM
O=C([O-])C(=Cc1ccc(N2CCCCC2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635167	557076993	/nfs/dbraw/zinc/07/69/93/557076993.db2.gz	XMLXLYNMTOEYPU-XMHGGMMESA-N	-1	0	440.956	5.333	40	10		IKCBRM
O=C([N-]N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1cccs1	ZINC000409350683	557078478	/nfs/dbraw/zinc/07/84/78/557078478.db2.gz	YKFGECKWIPSUAG-PTNGSMBKSA-N	-1	0	444.584	5.039	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)[N-]C2=S)c1	ZINC000409244272	557079964	/nfs/dbraw/zinc/07/99/64/557079964.db2.gz	AMBBDNLDCUGUAL-KGENOOAVSA-N	-1	0	444.556	5.075	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)cc2)C1=O	ZINC000409245039	557080364	/nfs/dbraw/zinc/08/03/64/557080364.db2.gz	MLNYEZSJWWYTPP-CJLVFECKSA-N	-1	0	442.540	5.375	40	10		IKCBRM
CCc1nc(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])n[nH]1	ZINC000408632896	557081454	/nfs/dbraw/zinc/08/14/54/557081454.db2.gz	UUBBRPAPOCSPOI-JCMHNJIXSA-N	-1	0	444.560	5.659	40	10		IKCBRM
Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])o1	ZINC000408632891	557081475	/nfs/dbraw/zinc/08/14/75/557081475.db2.gz	USDSOJRPPCSELD-HMAPJEAMSA-N	-1	0	431.517	5.670	40	10		IKCBRM
Cc1cc(N2CCCC2)ccc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632966	557081799	/nfs/dbraw/zinc/08/17/99/557081799.db2.gz	IFNPJCPWSDGXBV-CPNJWEJPSA-N	-1	0	440.956	5.252	40	10		IKCBRM
Cc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409328403	557111456	/nfs/dbraw/zinc/11/14/56/557111456.db2.gz	ULFVIWQGHTVLOJ-BKUYFWCQSA-N	-1	0	448.569	5.507	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc2ccccc21	ZINC000409330000	557112218	/nfs/dbraw/zinc/11/22/18/557112218.db2.gz	JMBVOLGJXDYQBG-LICLKQGHSA-N	-1	0	432.353	6.258	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C	ZINC000100524906	557114754	/nfs/dbraw/zinc/11/47/54/557114754.db2.gz	LUSCOIQLEKZFLW-NZXNHFJFSA-N	-1	0	448.508	5.519	40	10		IKCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1	ZINC000001200588	557120500	/nfs/dbraw/zinc/12/05/00/557120500.db2.gz	IWEGADIICZFASP-CPNJWEJPSA-N	-1	0	434.473	5.255	40	10		IKCBRM
O=C([N-]N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)c1cccs1	ZINC000409342076	557120895	/nfs/dbraw/zinc/12/08/95/557120895.db2.gz	BINYMTHQNDABMB-MHWRWJLKSA-N	-1	0	446.962	5.208	40	10		IKCBRM
Cc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409346920	557127409	/nfs/dbraw/zinc/12/74/09/557127409.db2.gz	OSYIMNDNFCUWFX-BKUYFWCQSA-N	-1	0	448.569	5.507	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1	ZINC000103918803	557140239	/nfs/dbraw/zinc/14/02/39/557140239.db2.gz	JWSRZMGYEUJQRU-UNOMPAQXSA-N	-1	0	445.375	6.492	40	10		IKCBRM
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1	ZINC000103918806	557140434	/nfs/dbraw/zinc/14/04/34/557140434.db2.gz	JFJVLOYACQNVBM-UNOMPAQXSA-N	-1	0	433.295	5.790	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1	ZINC000103918921	557140746	/nfs/dbraw/zinc/14/07/46/557140746.db2.gz	PSGULOMJAZFKJD-QNGOZBTKSA-N	-1	0	448.548	5.362	40	10		IKCBRM
CC(=Nc1ccc(Cl)cc1Cl)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000103920901	557140927	/nfs/dbraw/zinc/14/09/27/557140927.db2.gz	HYRYPEPSNWWTJG-STZFKDTASA-N	-1	0	440.305	6.270	40	10		IKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2	ZINC000408736655	557144506	/nfs/dbraw/zinc/14/45/06/557144506.db2.gz	ZAMLIFAYPYDGOD-ALTZYDRJSA-N	-1	0	447.534	6.944	40	10		IKCBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1	ZINC000408739511	557147719	/nfs/dbraw/zinc/14/77/19/557147719.db2.gz	XEYAFMVMMVORRL-CPNJWEJPSA-N	-1	0	446.300	5.619	40	10		IKCBRM
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000106703562	557157969	/nfs/dbraw/zinc/15/79/69/557157969.db2.gz	FTPPFTBPKDGCNV-MTJSOVHGSA-N	-1	0	433.485	5.498	40	10		IKCBRM
CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC	ZINC000112291422	557238922	/nfs/dbraw/zinc/23/89/22/557238922.db2.gz	LOPOAYGOYWABPQ-HMAPJEAMSA-N	-1	0	443.931	5.255	40	10		IKCBRM
CCc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1	ZINC000100161191	557245498	/nfs/dbraw/zinc/24/54/98/557245498.db2.gz	NBHFOUJVZWLSCB-ATVHPVEESA-N	-1	0	430.455	5.510	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4Cl)c3=O)n2)cc1	ZINC000100510821	557263048	/nfs/dbraw/zinc/26/30/48/557263048.db2.gz	MKXIBYNMJBNAQT-FTGFMQHASA-N	-1	0	425.901	5.347	40	10		IKCBRM
O=C1C=Cc2ccccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000100589766	557265604	/nfs/dbraw/zinc/26/56/04/557265604.db2.gz	LEYJJTBJCFGAQN-RUFRKCMOSA-N	-1	0	432.461	6.623	40	10		IKCBRM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c1	ZINC000013058475	557278757	/nfs/dbraw/zinc/27/87/57/557278757.db2.gz	BALJJJGHDJEGRP-FYJGNVAPSA-N	-1	0	447.537	5.370	40	10		IKCBRM
Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104389031	557326314	/nfs/dbraw/zinc/32/63/14/557326314.db2.gz	RYASJVSJGCGYQA-MPCWFZQZSA-N	-1	0	427.420	6.483	40	10		IKCBRM
Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104389035	557326488	/nfs/dbraw/zinc/32/64/88/557326488.db2.gz	RYASJVSJGCGYQA-ZQZMJUSDSA-N	-1	0	427.420	6.483	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000222699964	557375824	/nfs/dbraw/zinc/37/58/24/557375824.db2.gz	DYUQYWLLJGAXCP-YFXJRYMSSA-N	-1	0	446.576	5.167	40	10		IKCBRM
O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl	ZINC000015226983	557460534	/nfs/dbraw/zinc/46/05/34/557460534.db2.gz	CFHRJXVJLAROLH-WOJGMQOQSA-N	-1	0	425.849	5.539	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223537721	557483130	/nfs/dbraw/zinc/48/31/30/557483130.db2.gz	ONDIUMMIFSNZDD-JPOGYNCRSA-N	-1	0	445.563	5.082	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223536807	557483134	/nfs/dbraw/zinc/48/31/34/557483134.db2.gz	SQLNRXBQOGTECE-OVBDPADQSA-N	-1	0	445.563	5.082	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	ZINC000223552055	557484899	/nfs/dbraw/zinc/48/48/99/557484899.db2.gz	WENYSGVWYMKCIC-SDLXJUDFSA-N	-1	0	445.563	5.162	40	10		IKCBRM
CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccc(OC)cc1	ZINC000017095417	557486143	/nfs/dbraw/zinc/48/61/43/557486143.db2.gz	NRYKAPVTBPBKFE-MOHJPFBDSA-N	-1	0	427.504	5.231	40	10		IKCBRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)c(Cl)c1Cl	ZINC000223638948	557495244	/nfs/dbraw/zinc/49/52/44/557495244.db2.gz	GCGPUOCEFFVNQE-UHFFFAOYSA-N	-1	0	436.316	5.034	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	ZINC000033920551	557810114	/nfs/dbraw/zinc/81/01/14/557810114.db2.gz	SGBFOKFFNWJOAV-XMHGGMMESA-N	-1	0	432.863	5.426	40	10		IKCBRM
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058845615	557812769	/nfs/dbraw/zinc/81/27/69/557812769.db2.gz	NBHDIQKHSAQTTB-YZUZCNPQSA-N	-1	0	446.528	5.012	40	10		IKCBRM
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000058846421	557813126	/nfs/dbraw/zinc/81/31/26/557813126.db2.gz	CINIOLGFVPMMFB-VVZHRXSXSA-N	-1	0	448.563	6.070	40	10		IKCBRM
CCc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1C	ZINC000059135314	557815386	/nfs/dbraw/zinc/81/53/86/557815386.db2.gz	WAUHVZGCWYYGKY-KGENOOAVSA-N	-1	0	431.467	5.302	40	10		IKCBRM
CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cl	ZINC000059136050	557815623	/nfs/dbraw/zinc/81/56/23/557815623.db2.gz	CVXVVYZFBLOYDP-YRNVUSSQSA-N	-1	0	439.295	5.203	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1	ZINC000059136414	557815822	/nfs/dbraw/zinc/81/58/22/557815822.db2.gz	NJWOTKQJBIDUTG-NBVRZTHBSA-N	-1	0	432.476	5.076	40	10		IKCBRM
Cc1cccc(COc2ccccc2C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1	ZINC000059136425	557815838	/nfs/dbraw/zinc/81/58/38/557815838.db2.gz	ZMVJPSGVYZVKCD-XMHGGMMESA-N	-1	0	446.503	5.385	40	10		IKCBRM
CCc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1C	ZINC000059136183	557815876	/nfs/dbraw/zinc/81/58/76/557815876.db2.gz	QZVBHDHDWWJUCA-XMHGGMMESA-N	-1	0	447.535	5.467	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4C)C3=O)o2)cc1	ZINC000059137965	557816023	/nfs/dbraw/zinc/81/60/23/557816023.db2.gz	UPHXFROWOINFJP-CPNJWEJPSA-N	-1	0	448.569	6.028	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137424	557816055	/nfs/dbraw/zinc/81/60/55/557816055.db2.gz	WCTMDQBLELGWRV-CIAFOILYSA-N	-1	0	447.535	5.522	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C1=O	ZINC000059137945	557816059	/nfs/dbraw/zinc/81/60/59/557816059.db2.gz	MEBKUVRNFCRBSX-XMHGGMMESA-N	-1	0	432.501	5.808	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)o2)cc1	ZINC000059137957	557816091	/nfs/dbraw/zinc/81/60/91/557816091.db2.gz	ABEKBLOMKPYHSN-QGOAFFKASA-N	-1	0	434.542	5.719	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137278	557816120	/nfs/dbraw/zinc/81/61/20/557816120.db2.gz	SCJUHHJIZWIPGC-WSDLNYQXSA-N	-1	0	431.467	5.357	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4cc(C)cc(C)c4)C3=O)o2)cc1	ZINC000059137949	557816139	/nfs/dbraw/zinc/81/61/39/557816139.db2.gz	PXWTUKKCOXRCMP-DEDYPNTBSA-N	-1	0	448.569	6.028	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)o2)cc1	ZINC000059137975	557816274	/nfs/dbraw/zinc/81/62/74/557816274.db2.gz	QSKCXQRDWWWQDQ-CPNJWEJPSA-N	-1	0	432.501	5.227	40	10		IKCBRM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	ZINC000059859474	557827663	/nfs/dbraw/zinc/82/76/63/557827663.db2.gz	IJAIEGLMDYXBSG-ZMOGYAJESA-N	-1	0	440.543	5.970	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000223627147	569182359	/nfs/dbraw/zinc/18/23/59/569182359.db2.gz	QZCLDNVUXDFDSU-GZTJUZNOSA-N	-1	0	443.311	5.085	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1	ZINC000033431099	569259326	/nfs/dbraw/zinc/25/93/26/569259326.db2.gz	VSGXOFZHRBBORA-LDADJPATSA-N	-1	0	436.294	6.163	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	ZINC000034713528	569260035	/nfs/dbraw/zinc/26/00/35/569260035.db2.gz	CGXFOPNNJZBIFO-UNOMPAQXSA-N	-1	0	439.298	5.034	40	10		IKCBRM
CCN1c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208313648	569261166	/nfs/dbraw/zinc/26/11/66/569261166.db2.gz	YLEJFEVQMHULSS-SDLXJUDFSA-N	-1	0	445.563	5.082	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208316566	569261280	/nfs/dbraw/zinc/26/12/80/569261280.db2.gz	JSJCDJIVGMLMMC-SDLXJUDFSA-N	-1	0	445.563	5.082	40	10		IKCBRM
Cc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000214557715	569261543	/nfs/dbraw/zinc/26/15/43/569261543.db2.gz	ZLLJFGNHMYRODD-LPYMAVHISA-N	-1	0	446.528	5.337	40	10		IKCBRM
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1cccc2cccnc21	ZINC000008859986	569479868	/nfs/dbraw/zinc/47/98/68/569479868.db2.gz	GZEORWVYZZMKSJ-UHFFFAOYSA-N	-1	0	442.496	5.267	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000001237284	132240736	/nfs/dbraw/zinc/24/07/36/132240736.db2.gz	GACJHUPBKZNYDA-LPYMAVHISA-N	-1	0	431.467	5.357	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)c1C	ZINC000009323530	132313722	/nfs/dbraw/zinc/31/37/22/132313722.db2.gz	ZHUCAFDHLXNOHJ-PDGQHHTCSA-N	-1	0	436.920	5.048	40	10		IKCBRM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000012412874	520895819	/nfs/dbraw/zinc/89/58/19/520895819.db2.gz	LGAGITVWXHNKLU-BOPFTXTBSA-N	-1	0	441.270	5.758	40	10		IKCBRM
Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1	ZINC000033380047	524773231	/nfs/dbraw/zinc/77/32/31/524773231.db2.gz	RREWDCOLVYVIBW-BUVRLJJBSA-N	-1	0	449.510	5.813	40	10		IKCBRM
CCc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)c1C	ZINC000034808290	555509689	/nfs/dbraw/zinc/50/96/89/555509689.db2.gz	ZUDCCUWEPMYATG-CJLVFECKSA-N	-1	0	441.531	5.726	40	10		IKCBRM
O=C1C=Cc2ccccc2C1=NNc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000004705995	556006908	/nfs/dbraw/zinc/00/69/08/556006908.db2.gz	LEYJJTBJCFGAQN-QSZPNPOGSA-N	-1	0	432.461	6.623	40	10		IKCBRM
O=C1C=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)c2ccccc21	ZINC000004758332	556010141	/nfs/dbraw/zinc/01/01/41/556010141.db2.gz	PSQAMBOKSPAGRZ-QSZPNPOGSA-N	-1	0	432.461	6.623	40	10		IKCBRM
COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])SC2=S)cc1	ZINC000006645117	556099986	/nfs/dbraw/zinc/09/99/86/556099986.db2.gz	QLCAOQGFKMCHCL-VIZOYTHASA-N	-1	0	426.346	5.109	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)c(C)c1	ZINC000006795956	556104420	/nfs/dbraw/zinc/10/44/20/556104420.db2.gz	XXRJEEBUTHZRQI-UDWIEESQSA-N	-1	0	435.526	5.667	40	10		IKCBRM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O	ZINC000008765571	556211915	/nfs/dbraw/zinc/21/19/15/556211915.db2.gz	ZMSUPRDNYAGNAI-YZUVIAEVSA-N	-1	0	445.650	6.430	40	10		IKCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000008821414	556222451	/nfs/dbraw/zinc/22/24/51/556222451.db2.gz	XUKGNXYFJMFDNT-QAEAHILHSA-N	-1	0	435.954	5.445	40	10		IKCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000008821427	556222795	/nfs/dbraw/zinc/22/27/95/556222795.db2.gz	XMVUPQHRMOILMX-ADFUCPMPSA-N	-1	0	435.954	5.301	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1	ZINC000008821810	556223616	/nfs/dbraw/zinc/22/36/16/556223616.db2.gz	ARONAIKWUJMONO-YBFXNURJSA-N	-1	0	438.892	5.689	40	10		IKCBRM
O=Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008870214	556229328	/nfs/dbraw/zinc/22/93/28/556229328.db2.gz	RSLIVRQGSRTZLJ-CYVLTUHYSA-N	-1	0	433.595	5.296	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000408854039	556443029	/nfs/dbraw/zinc/44/30/29/556443029.db2.gz	WCAOUVGANMEFPN-DEDYPNTBSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1	ZINC000408869253	556462398	/nfs/dbraw/zinc/46/23/98/556462398.db2.gz	QCTBVYLKGJODDC-UDWIEESQSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c1	ZINC000408874240	556464780	/nfs/dbraw/zinc/46/47/80/556464780.db2.gz	ZNGQZENFEJJZJG-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000016487644	556611671	/nfs/dbraw/zinc/61/16/71/556611671.db2.gz	UAOZOIQHISAKDT-PXLXIMEGSA-N	-1	0	427.504	5.324	40	10		IKCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	ZINC000016525764	556614431	/nfs/dbraw/zinc/61/44/31/556614431.db2.gz	DLRDONRBKVHLJZ-HMAPJEAMSA-N	-1	0	442.927	5.478	40	10		IKCBRM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000013914915	556662033	/nfs/dbraw/zinc/66/20/33/556662033.db2.gz	DOBLKSVRRRSTEJ-YBFXNURJSA-N	-1	0	434.536	5.492	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1	ZINC000083309650	556663536	/nfs/dbraw/zinc/66/35/36/556663536.db2.gz	LVERMKNQXQIRRX-VXLYETTFSA-N	-1	0	437.883	5.151	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1	ZINC000083327780	556663726	/nfs/dbraw/zinc/66/37/26/556663726.db2.gz	QLLLXKNFCHTBAF-GZTJUZNOSA-N	-1	0	441.270	6.069	40	10		IKCBRM
CCCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000083331509	556664009	/nfs/dbraw/zinc/66/40/09/556664009.db2.gz	CYSBTHQHPBSYCG-VBKFSLOCSA-N	-1	0	443.297	5.053	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000408760664	556687481	/nfs/dbraw/zinc/68/74/81/556687481.db2.gz	CNWYNFCLJSQLTH-WSDLNYQXSA-N	-1	0	447.922	5.031	40	10		IKCBRM
O=C([O-])CCN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)SC1=S	ZINC000409098334	556794745	/nfs/dbraw/zinc/79/47/45/556794745.db2.gz	OITFRFMLLRLWCM-KGENOOAVSA-N	-1	0	449.553	5.095	40	10		IKCBRM
Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)cc1	ZINC000034389260	556826629	/nfs/dbraw/zinc/82/66/29/556826629.db2.gz	SMYSETRPMONZDZ-BUVRLJJBSA-N	-1	0	449.510	5.813	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409128334	556839375	/nfs/dbraw/zinc/83/93/75/556839375.db2.gz	ICSKNUNRQLPUIY-HKWRFOASSA-N	-1	0	444.581	5.286	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)c1	ZINC000409131597	556842223	/nfs/dbraw/zinc/84/22/23/556842223.db2.gz	YJVPRRFPCGQOBP-YBFXNURJSA-N	-1	0	445.924	5.915	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1	ZINC000408806054	556861029	/nfs/dbraw/zinc/86/10/29/556861029.db2.gz	AAXZYZNSPBAUJG-KOEQRZSOSA-N	-1	0	448.478	5.085	40	10		IKCBRM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000408849585	556870401	/nfs/dbraw/zinc/87/04/01/556870401.db2.gz	XLMUNLNHJWUJBP-UXBLZVDNSA-N	-1	0	446.142	5.132	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2cc(C)cc(C)c2)C1=O	ZINC000408864914	556873396	/nfs/dbraw/zinc/87/33/96/556873396.db2.gz	AZSSDHKSWPHQRF-ULJHMMPZSA-N	-1	0	438.527	5.123	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409145989	556874641	/nfs/dbraw/zinc/87/46/41/556874641.db2.gz	SVJMSKIZABRWCE-RCCKNPSSSA-N	-1	0	444.581	5.286	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3F)C2=O)cc1Cl	ZINC000408876762	556876924	/nfs/dbraw/zinc/87/69/24/556876924.db2.gz	NLSPIDZKEVBLAC-DEDYPNTBSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408901570	556882812	/nfs/dbraw/zinc/88/28/12/556882812.db2.gz	GNAWYVMXWONHAH-DEDYPNTBSA-N	-1	0	434.542	5.198	40	10		IKCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000408903873	556883652	/nfs/dbraw/zinc/88/36/52/556883652.db2.gz	ARDGHXITMNUGOU-BUVRLJJBSA-N	-1	0	435.483	5.194	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408903241	556885751	/nfs/dbraw/zinc/88/57/51/556885751.db2.gz	WFIMGXGWJITHJX-DEDYPNTBSA-N	-1	0	434.542	5.198	40	10		IKCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1	ZINC000409014432	556920246	/nfs/dbraw/zinc/92/02/46/556920246.db2.gz	PRXJJZUCLRJQOJ-XDHOZWIPSA-N	-1	0	436.920	5.048	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000409162702	556977782	/nfs/dbraw/zinc/97/77/82/556977782.db2.gz	HCNFLJQBWFTNKC-PPJWLVRDSA-N	-1	0	427.569	6.812	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000409162695	556981195	/nfs/dbraw/zinc/98/11/95/556981195.db2.gz	HCNFLJQBWFTNKC-JCYRPKCISA-N	-1	0	427.569	6.812	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409190654	556991448	/nfs/dbraw/zinc/99/14/48/556991448.db2.gz	UQQYIPPKXWVWEI-YBFXNURJSA-N	-1	0	439.876	5.848	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccccc3)cc2)C1=O	ZINC000409239737	557021007	/nfs/dbraw/zinc/02/10/07/557021007.db2.gz	QAGXPKJKUNFTDD-XMHGGMMESA-N	-1	0	448.931	5.466	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)cc2)cc1	ZINC000409232044	557023660	/nfs/dbraw/zinc/02/36/60/557023660.db2.gz	NOXAVAKHJOHRPG-RCCKNPSSSA-N	-1	0	444.581	5.286	40	10		IKCBRM
CCCCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408527180	557030226	/nfs/dbraw/zinc/03/02/26/557030226.db2.gz	BDPTZJFKEJNCFY-VBKFSLOCSA-N	-1	0	447.318	5.147	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2)cc1	ZINC000409250967	557031271	/nfs/dbraw/zinc/03/12/71/557031271.db2.gz	ZAEOVHXJZOSUMK-XMHGGMMESA-N	-1	0	448.544	5.117	40	10		IKCBRM
CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1	ZINC000408540004	557033932	/nfs/dbraw/zinc/03/39/32/557033932.db2.gz	LQJZUWGIBONKBI-CYVLTUHYSA-N	-1	0	440.927	5.274	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	ZINC000409342354	557069915	/nfs/dbraw/zinc/06/99/15/557069915.db2.gz	DMXUXPUJQQYTHX-AWNIVKPZSA-N	-1	0	427.290	5.013	40	10		IKCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc12	ZINC000409233440	557070629	/nfs/dbraw/zinc/07/06/29/557070629.db2.gz	SFGWIBXHBWESSP-PXLXIMEGSA-N	-1	0	444.556	5.193	40	10		IKCBRM
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1	ZINC000408631629	557073242	/nfs/dbraw/zinc/07/32/42/557073242.db2.gz	ADASEBRURFYQKU-JMIUGGIZSA-N	-1	0	442.899	6.246	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C1CCCCC1	ZINC000409235932	557077229	/nfs/dbraw/zinc/07/72/29/557077229.db2.gz	DHKQNXFQFRHYMU-CPNJWEJPSA-N	-1	0	439.943	5.238	40	10		IKCBRM
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	ZINC000409241585	557079808	/nfs/dbraw/zinc/07/98/08/557079808.db2.gz	OTAZZQWSDAGWRT-PXLXIMEGSA-N	-1	0	443.572	5.049	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O	ZINC000208305566	557080099	/nfs/dbraw/zinc/08/00/99/557080099.db2.gz	YCXWMISKLUHFBN-LBSLPOPVSA-N	-1	0	445.563	5.028	40	10		IKCBRM
Cc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409328966	557111538	/nfs/dbraw/zinc/11/15/38/557111538.db2.gz	BEZYSPUUOICBCA-FYJGNVAPSA-N	-1	0	448.569	5.507	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100525296	557114776	/nfs/dbraw/zinc/11/47/76/557114776.db2.gz	FNTMRPMVBBKTLI-DUPNKOKHSA-N	-1	0	440.872	5.247	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000100525483	557115020	/nfs/dbraw/zinc/11/50/20/557115020.db2.gz	NOUCWJVRRIAKEM-SMIQVMJNSA-N	-1	0	434.481	5.210	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc5ccccc5c4)c3=O)n2)cc1	ZINC000100510816	557115715	/nfs/dbraw/zinc/11/57/15/557115715.db2.gz	ADMTZQNLIIVACB-KQEYZTLISA-N	-1	0	441.516	5.847	40	10		IKCBRM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000408700507	557119548	/nfs/dbraw/zinc/11/95/48/557119548.db2.gz	HAYWRAQTDVAIHB-UHFFFAOYSA-N	-1	0	443.952	5.504	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	ZINC000409343377	557122237	/nfs/dbraw/zinc/12/22/37/557122237.db2.gz	GNILUMNHGMBZHA-NTUHNPAUSA-N	-1	0	427.290	5.013	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)cc(Br)c2[O-])SC(=S)N1c1ccccc1	ZINC000408721698	557135612	/nfs/dbraw/zinc/13/56/12/557135612.db2.gz	XDYFKLAIPXPASG-NTUHNPAUSA-N	-1	0	426.744	5.214	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000408723298	557136780	/nfs/dbraw/zinc/13/67/80/557136780.db2.gz	STPKEQVFXJBDHB-VZUCSPMQSA-N	-1	0	446.142	5.132	40	10		IKCBRM
CC(=Nc1cc(Cl)cc(Cl)c1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000103920921	557141085	/nfs/dbraw/zinc/14/10/85/557141085.db2.gz	XWZHDNSXAFZPDA-STZFKDTASA-N	-1	0	440.305	6.270	40	10		IKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408737674	557145072	/nfs/dbraw/zinc/14/50/72/557145072.db2.gz	UNVQHMMDDXPZSQ-WTYKIBOHSA-N	-1	0	425.572	6.679	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000408739369	557147355	/nfs/dbraw/zinc/14/73/55/557147355.db2.gz	BHDDLSTYWJZBSO-LPYMAVHISA-N	-1	0	447.922	5.031	40	10		IKCBRM
CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	ZINC000408776711	557200767	/nfs/dbraw/zinc/20/07/67/557200767.db2.gz	PWQAJUAICZBAOO-OQLLNIDSSA-N	-1	0	436.817	5.149	40	10		IKCBRM
CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408803400	557213432	/nfs/dbraw/zinc/21/34/32/557213432.db2.gz	OMDKHUITMBPYHH-XSFVSMFZSA-N	-1	0	448.906	5.257	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1Cl	ZINC000408812860	557222989	/nfs/dbraw/zinc/22/29/89/557222989.db2.gz	XKLKWUNXIRRAON-DEDYPNTBSA-N	-1	0	448.906	5.255	40	10		IKCBRM
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl	ZINC000112293062	557239185	/nfs/dbraw/zinc/23/91/85/557239185.db2.gz	VNOPYQXPYVZMIO-UNOMPAQXSA-N	-1	0	433.295	5.790	40	10		IKCBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Oc1ccccc1	ZINC000112295820	557239752	/nfs/dbraw/zinc/23/97/52/557239752.db2.gz	MRGOHDCOEODHKQ-BWAHOGKJSA-N	-1	0	445.950	7.021	40	10		IKCBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(Cl)c4)c3=O)n2)cc1	ZINC000100510836	557263042	/nfs/dbraw/zinc/26/30/42/557263042.db2.gz	MYHNVTIBJXPBLV-IUBFCHALSA-N	-1	0	425.901	5.347	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000100510986	557263372	/nfs/dbraw/zinc/26/33/72/557263372.db2.gz	MIHJSQVERHGULI-KQEYZTLISA-N	-1	0	425.517	6.147	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000100510985	557263375	/nfs/dbraw/zinc/26/33/75/557263375.db2.gz	MIHJSQVERHGULI-PLFNIDSXSA-N	-1	0	425.517	6.147	40	10		IKCBRM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000101133153	557283569	/nfs/dbraw/zinc/28/35/69/557283569.db2.gz	SQOXGXCYIDDLGW-CFPQKXLCSA-N	-1	0	426.454	5.792	40	10		IKCBRM
Nc1cc(N)c(Oc2ccc(C(=O)[O-])cc2)cc1NN=C1C=C([N+](=O)[O-])C=C(Cl)C1=O	ZINC000104221648	557322437	/nfs/dbraw/zinc/32/24/37/557322437.db2.gz	CENOLHYYCDBPJU-VHXPQNKSSA-N	-1	0	443.803	5.024	40	10		IKCBRM
CCN(Cc1ccccc1)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])c1	ZINC000104366389	557325759	/nfs/dbraw/zinc/32/57/59/557325759.db2.gz	GAHIPYIXWHPTTH-FCQUAONHSA-N	-1	0	440.481	5.283	40	10		IKCBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccc(N=Nc2ccccc2)cc1	ZINC000104388953	557326157	/nfs/dbraw/zinc/32/61/57/557326157.db2.gz	ANKNQAUREHXSDZ-RUFRKCMOSA-N	-1	0	432.461	6.623	40	10		IKCBRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)N21	ZINC000222700094	557375832	/nfs/dbraw/zinc/37/58/32/557375832.db2.gz	DYUQYWLLJGAXCP-SXSPYAJSSA-N	-1	0	446.576	5.167	40	10		IKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000014153073	557423842	/nfs/dbraw/zinc/42/38/42/557423842.db2.gz	ODHSQBQXGKTSEJ-UHFFFAOYSA-N	-1	0	430.426	5.138	40	10		IKCBRM
CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccc(OC)cc1	ZINC000019643394	557504093	/nfs/dbraw/zinc/50/40/93/557504093.db2.gz	AMPZMSMSTQJJPQ-ULJHMMPZSA-N	-1	0	445.494	5.370	40	10		IKCBRM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c3ccccc32)c1	ZINC000033729021	557809109	/nfs/dbraw/zinc/80/91/09/557809109.db2.gz	BUMBYJCOZZWGBZ-HZHRSRAPSA-N	-1	0	435.483	5.505	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033889715	557810190	/nfs/dbraw/zinc/81/01/90/557810190.db2.gz	LBHPDUHMHWCXSD-CIAFOILYSA-N	-1	0	433.895	5.563	40	10		IKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc43)cc1)N2	ZINC000058837611	557812773	/nfs/dbraw/zinc/81/27/73/557812773.db2.gz	ICMCGLKUZCMDTF-ALTZYDRJSA-N	-1	0	447.534	6.944	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1	ZINC000059135642	557815356	/nfs/dbraw/zinc/81/53/56/557815356.db2.gz	HHFIZRNYUBBSIE-DEDYPNTBSA-N	-1	0	434.398	5.051	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1C1CCCCC1	ZINC000059135871	557815500	/nfs/dbraw/zinc/81/55/00/557815500.db2.gz	NEAFRQBASQASOB-QGOAFFKASA-N	-1	0	425.529	5.421	40	10		IKCBRM
Cc1cccc(COc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2)c1	ZINC000059135879	557815617	/nfs/dbraw/zinc/81/56/17/557815617.db2.gz	LEEQMLSZUNNWNP-XSFVSMFZSA-N	-1	0	446.503	5.385	40	10		IKCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	ZINC000059137188	557815816	/nfs/dbraw/zinc/81/58/16/557815816.db2.gz	AYCZMCKJHSKCII-KGENOOAVSA-N	-1	0	431.467	5.302	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000059137753	557816037	/nfs/dbraw/zinc/81/60/37/557816037.db2.gz	OPVBMBWWNWSGFC-GXDHUFHOSA-N	-1	0	445.233	5.899	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	ZINC000059137943	557816040	/nfs/dbraw/zinc/81/60/40/557816040.db2.gz	ZFJVCYUNUHVQQW-DEDYPNTBSA-N	-1	0	432.501	5.863	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)o2)cc1	ZINC000059137823	557816062	/nfs/dbraw/zinc/81/60/62/557816062.db2.gz	CIINUQYVBOVRFU-CPNJWEJPSA-N	-1	0	434.542	5.719	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000059109534	557820456	/nfs/dbraw/zinc/82/04/56/557820456.db2.gz	DJWJJAQOOFDWTH-CPNJWEJPSA-N	-1	0	439.943	5.691	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000059109523	557820464	/nfs/dbraw/zinc/82/04/64/557820464.db2.gz	HHGWBBUUHHIPMW-KGENOOAVSA-N	-1	0	445.494	5.464	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000059109548	557820611	/nfs/dbraw/zinc/82/06/11/557820611.db2.gz	FWXXBAQLWRJSTH-LFVJCYFKSA-N	-1	0	441.531	5.882	40	10		IKCBRM
CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1	ZINC000059535719	557827438	/nfs/dbraw/zinc/82/74/38/557827438.db2.gz	QSXAZTQGJUDOOJ-DHDCSXOGSA-N	-1	0	426.346	5.504	40	10		IKCBRM
CCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000059860556	557827809	/nfs/dbraw/zinc/82/78/09/557827809.db2.gz	DWSYDANWMPLHKT-FOWTUZBSSA-N	-1	0	443.297	5.053	40	10		IKCBRM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)s1	ZINC000059860479	557827921	/nfs/dbraw/zinc/82/79/21/557827921.db2.gz	UZKKVSSWTYHUIS-SSDVNMTOSA-N	-1	0	446.572	6.031	40	10		IKCBRM
O=S(=O)([N-]c1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1	ZINC000224137810	568906672	/nfs/dbraw/zinc/90/66/72/568906672.db2.gz	CCJPVLRIVOTOBT-UHFFFAOYSA-N	-1	0	429.748	5.027	40	10		IKCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	ZINC000230817623	569185498	/nfs/dbraw/zinc/18/54/98/569185498.db2.gz	WDKDTZPQNQPLJA-GZTJUZNOSA-N	-1	0	443.311	5.085	40	10		IKCBRM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	ZINC000002218253	569204151	/nfs/dbraw/zinc/20/41/51/569204151.db2.gz	HMELNVRBDFFHHJ-MXJLDLDKSA-N	-1	0	441.531	6.114	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc21	ZINC000034878475	569260016	/nfs/dbraw/zinc/26/00/16/569260016.db2.gz	NPRJIXAZFASGEL-KQWNVCNZSA-N	-1	0	438.458	5.019	40	10		IKCBRM
Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000035400649	569260242	/nfs/dbraw/zinc/26/02/42/569260242.db2.gz	RTJAIDIQSXTJFJ-GZTJUZNOSA-N	-1	0	443.931	5.059	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C	ZINC000208316517	569261238	/nfs/dbraw/zinc/26/12/38/569261238.db2.gz	DJQCCOBADJINPY-SDLXJUDFSA-N	-1	0	445.563	5.082	40	10		IKCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000209319771	569261542	/nfs/dbraw/zinc/26/15/42/569261542.db2.gz	QXFIJMLNXQSJNF-WQRHYEAKSA-N	-1	0	425.849	5.539	40	10		IKCBRM
Cn1c2ccccc2c2ccc(CC(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)cc21	ZINC000257276249	569277786	/nfs/dbraw/zinc/27/77/86/569277786.db2.gz	NSZHWKGLHZSYEQ-UHFFFAOYSA-N	-1	0	448.950	5.073	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000001201912	132239434	/nfs/dbraw/zinc/23/94/34/132239434.db2.gz	AVXSNWOQUAJGIE-LFIBNONCSA-N	-1	0	437.795	5.015	40	10		IKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008935133	132298175	/nfs/dbraw/zinc/29/81/75/132298175.db2.gz	WXZHYNIYTFJYOW-DJIOSBNXSA-N	-1	0	448.360	6.042	40	10		IKCBRM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1	ZINC000035129041	524492431	/nfs/dbraw/zinc/49/24/31/524492431.db2.gz	HICBSRPCMSAZDE-BUVRLJJBSA-N	-1	0	449.510	5.813	40	10		IKCBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1	ZINC000001013006	555602193	/nfs/dbraw/zinc/60/21/93/555602193.db2.gz	RLVLLHSPPCNWIO-RGVLZGJSSA-N	-1	0	437.448	5.329	40	10		IKCBRM
Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000004416667	555993948	/nfs/dbraw/zinc/99/39/48/555993948.db2.gz	GVDFNLGUMKHGRD-MDNZCRNZSA-N	-1	0	426.454	5.792	40	10		IKCBRM
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n[nH]1	ZINC000408633526	556008234	/nfs/dbraw/zinc/00/82/34/556008234.db2.gz	ZJDXWNIUFLMVPA-MFOYZWKCSA-N	-1	0	434.924	5.175	40	10		IKCBRM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	ZINC000008765570	556211924	/nfs/dbraw/zinc/21/19/24/556211924.db2.gz	AHFIWNHXLVRNCV-HFIOFXJDSA-N	-1	0	431.623	6.040	40	10		IKCBRM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000008765574	556211943	/nfs/dbraw/zinc/21/19/43/556211943.db2.gz	NNSNPUQAYZLJKD-SDXDJHTJSA-N	-1	0	445.610	5.360	40	10		IKCBRM
COc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1	ZINC000008765552	556212010	/nfs/dbraw/zinc/21/20/10/556212010.db2.gz	BFLBQHIXZZLMBA-MNDPQUGUSA-N	-1	0	435.611	5.492	40	10		IKCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000008821428	556222767	/nfs/dbraw/zinc/22/27/67/556222767.db2.gz	XMVUPQHRMOILMX-ZXMBATIKSA-N	-1	0	435.954	5.301	40	10		IKCBRM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S	ZINC000008821562	556223087	/nfs/dbraw/zinc/22/30/87/556223087.db2.gz	LYJLQFRYTNTSFC-SDXDJHTJSA-N	-1	0	440.030	6.137	40	10		IKCBRM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000013838354	556317290	/nfs/dbraw/zinc/31/72/90/556317290.db2.gz	VWXSRBJMGWTPIA-BOPFTXTBSA-N	-1	0	441.270	5.758	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)cc1	ZINC000408866572	556459101	/nfs/dbraw/zinc/45/91/01/556459101.db2.gz	GJSZDCYVKNTJCS-CJLVFECKSA-N	-1	0	444.918	5.160	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000408870676	556461744	/nfs/dbraw/zinc/46/17/44/556461744.db2.gz	XASUUJTXTVBHRZ-OEAKJJBVSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)c(Cl)c2)C1=O	ZINC000408871602	556463550	/nfs/dbraw/zinc/46/35/50/556463550.db2.gz	ZYRVJWUGKSLOLZ-XDHOZWIPSA-N	-1	0	448.881	5.045	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1	ZINC000408878179	556468537	/nfs/dbraw/zinc/46/85/37/556468537.db2.gz	XMNMEMUXLFBTLR-OEAKJJBVSA-N	-1	0	444.918	5.214	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	ZINC000015013375	556484121	/nfs/dbraw/zinc/48/41/21/556484121.db2.gz	MVDAJMCVDFLUCS-ZHZULCJRSA-N	-1	0	434.904	5.158	40	10		IKCBRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1	ZINC000408903445	556491385	/nfs/dbraw/zinc/49/13/85/556491385.db2.gz	YABMFXYCKKVJJM-KGENOOAVSA-N	-1	0	447.537	5.370	40	10		IKCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000408911333	556497706	/nfs/dbraw/zinc/49/77/06/556497706.db2.gz	MYUWGWXSZQTIRO-GDNBJRDFSA-N	-1	0	445.233	5.059	40	10		IKCBRM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1N2CCCC[C@@H]2[C@H]2c3cccn3-c3ccccc3N12	ZINC000031761513	556526241	/nfs/dbraw/zinc/52/62/41/556526241.db2.gz	BOKCTHBMFIEXGP-MQSCRBSSSA-N	-1	0	426.347	5.918	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	ZINC000083318133	556663734	/nfs/dbraw/zinc/66/37/34/556663734.db2.gz	ZMMSIIOIYJZVSZ-KGENOOAVSA-N	-1	0	446.890	5.734	40	10		IKCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccc(Br)c(C)c1)C(F)(F)F	ZINC000409000317	556710371	/nfs/dbraw/zinc/71/03/71/556710371.db2.gz	VIUBAHBOHKINJX-MSUUIHNZSA-N	-1	0	438.247	5.409	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1	ZINC000409012598	556715801	/nfs/dbraw/zinc/71/58/01/556715801.db2.gz	QTBHIZJZVAJHHK-XNTDXEJSSA-N	-1	0	445.233	5.059	40	10		IKCBRM
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3Cl)c2C)C1=O	ZINC000409012631	556715848	/nfs/dbraw/zinc/71/58/48/556715848.db2.gz	QZOLWQMSBAOHRY-HPAYWCODSA-N	-1	0	432.929	5.281	40	10		IKCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409072874	556775886	/nfs/dbraw/zinc/77/58/86/556775886.db2.gz	LLSLIJVXZGQOJN-HYARGMPZSA-N	-1	0	446.890	5.423	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1C	ZINC000409134489	556848081	/nfs/dbraw/zinc/84/80/81/556848081.db2.gz	UDDFNHGEDIXTPB-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000408780014	556854281	/nfs/dbraw/zinc/85/42/81/556854281.db2.gz	PYLOWWJMGYDWPJ-HYARGMPZSA-N	-1	0	440.455	5.068	40	10		IKCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O	ZINC000408819607	556865664	/nfs/dbraw/zinc/86/56/64/556865664.db2.gz	ZPIDORGBAOVRRI-DEDYPNTBSA-N	-1	0	448.906	5.255	40	10		IKCBRM
Cc1ccc(COc2ccc([C@@H]3Nc4c(C)c(C(=O)[O-])ccc4[C@@H]4C=CC[C@@H]43)cc2)cc1	ZINC000408832608	556866728	/nfs/dbraw/zinc/86/67/28/556866728.db2.gz	RSEWIHXNKORVMR-DXBVXKBHSA-N	-1	0	425.528	6.407	40	10		IKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	ZINC000408863478	556872730	/nfs/dbraw/zinc/87/27/30/556872730.db2.gz	SDLIATZAIQGYAD-YDIMBITNSA-N	-1	0	431.919	6.444	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)cc1C	ZINC000408865358	556873274	/nfs/dbraw/zinc/87/32/74/556873274.db2.gz	BYOWAOFVJKWNBE-PXLXIMEGSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1	ZINC000408867769	556873986	/nfs/dbraw/zinc/87/39/86/556873986.db2.gz	NJINDOOYSIVLFJ-PCLIKHOPSA-N	-1	0	438.527	5.177	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000408871298	556875003	/nfs/dbraw/zinc/87/50/03/556875003.db2.gz	ZBPHMSFHCYOTIM-HZHRSRAPSA-N	-1	0	444.918	5.214	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)[N-]C2=S)c(C)c1	ZINC000409149235	556876129	/nfs/dbraw/zinc/87/61/29/556876129.db2.gz	ZMDJCMUORXDYRX-KGENOOAVSA-N	-1	0	444.556	5.075	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	ZINC000409150748	556876537	/nfs/dbraw/zinc/87/65/37/556876537.db2.gz	DJYHRQDVYMGMAQ-MDOVXXIYSA-N	-1	0	444.325	5.299	40	10		IKCBRM
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000408876577	556876600	/nfs/dbraw/zinc/87/66/00/556876600.db2.gz	QCZZFYUDPFYUGA-PCLIKHOPSA-N	-1	0	438.527	5.177	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c(C)c1	ZINC000408876976	556876843	/nfs/dbraw/zinc/87/68/43/556876843.db2.gz	ROVHSKNLMQVIEL-LFVJCYFKSA-N	-1	0	438.527	5.177	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Cc2cccc(F)c2)C1=O	ZINC000408882090	556878464	/nfs/dbraw/zinc/87/84/64/556878464.db2.gz	PMHZFJPKXBGQSN-XSFVSMFZSA-N	-1	0	448.881	5.045	40	10		IKCBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Br)c2)SC(=S)N1c1ccccc1	ZINC000408900929	556882333	/nfs/dbraw/zinc/88/23/33/556882333.db2.gz	ADZUQIYABMZUMB-MDWZMJQESA-N	-1	0	426.744	5.214	40	10		IKCBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1Cl	ZINC000408954751	556899025	/nfs/dbraw/zinc/89/90/25/556899025.db2.gz	ZPXURUWPDGNCNW-UHFFFAOYSA-N	-1	0	439.136	6.231	40	10		IKCBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1	ZINC000408964699	556902296	/nfs/dbraw/zinc/90/22/96/556902296.db2.gz	ZBAGXBFPKZMHOC-PDGQHHTCSA-N	-1	0	440.377	5.302	40	10		IKCBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000408975624	556906023	/nfs/dbraw/zinc/90/60/23/556906023.db2.gz	BKCJNNIZBGEEBN-LICLKQGHSA-N	-1	0	433.678	5.368	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C1CCCCC1	ZINC000408987888	556910196	/nfs/dbraw/zinc/91/01/96/556910196.db2.gz	PFWBOVJLIKKAEU-NDENLUEZSA-N	-1	0	439.943	5.238	40	10		IKCBRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000409019666	556924090	/nfs/dbraw/zinc/92/40/90/556924090.db2.gz	KCPJCWAZAYVNCZ-HMHNVIDESA-N	-1	0	449.359	5.002	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000409073232	556946465	/nfs/dbraw/zinc/94/64/65/556946465.db2.gz	GGMLUCBYLYOLHZ-KGENOOAVSA-N	-1	0	448.931	5.466	40	10		IKCBRM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c1	ZINC000409107705	556959341	/nfs/dbraw/zinc/95/93/41/556959341.db2.gz	SOSJRFUXOUQCPK-KGENOOAVSA-N	-1	0	447.537	5.370	40	10		IKCBRM
O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)o2)ccc1Cl	ZINC000409129733	556967358	/nfs/dbraw/zinc/96/73/58/556967358.db2.gz	LZBKKIWGSMOZHL-ODLFYWEKSA-N	-1	0	445.924	5.915	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1	ZINC000409141420	556972384	/nfs/dbraw/zinc/97/23/84/556972384.db2.gz	HWZJOLFHUFCDOR-PXLXIMEGSA-N	-1	0	447.512	5.622	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	ZINC000409150745	556975014	/nfs/dbraw/zinc/97/50/14/556975014.db2.gz	DJYHRQDVYMGMAQ-AVYPCKFXSA-N	-1	0	444.325	5.299	40	10		IKCBRM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000409161296	556975748	/nfs/dbraw/zinc/97/57/48/556975748.db2.gz	MRDUJLJKKIYDSJ-RVDMUPIBSA-N	-1	0	433.291	5.048	40	10		IKCBRM
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409154535	556979106	/nfs/dbraw/zinc/97/91/06/556979106.db2.gz	KGPOYMYHPINURS-YPCDYVTLSA-N	-1	0	427.569	6.812	40	10		IKCBRM
COc1cc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	ZINC000409170110	556982612	/nfs/dbraw/zinc/98/26/12/556982612.db2.gz	SZEIUUVBQHVDJL-JZKQVHKSSA-N	-1	0	444.325	5.299	40	10		IKCBRM
Cc1nnc(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])[nH]1	ZINC000409194777	556993439	/nfs/dbraw/zinc/99/34/39/556993439.db2.gz	RBNUFNTXDYCSIZ-HMAPJEAMSA-N	-1	0	430.533	5.405	40	10		IKCBRM
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409211821	557006463	/nfs/dbraw/zinc/00/64/63/557006463.db2.gz	KEXKCTPQRPONAL-XKZIYDEJSA-N	-1	0	446.528	5.337	40	10		IKCBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409193412	557010060	/nfs/dbraw/zinc/01/00/60/557010060.db2.gz	KFVOIXDFDNCEJY-YBFXNURJSA-N	-1	0	439.876	5.848	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C1CCCCC1	ZINC000409237770	557019521	/nfs/dbraw/zinc/01/95/21/557019521.db2.gz	LQDDXISJQHTKFT-HZHRSRAPSA-N	-1	0	449.620	5.565	40	10		IKCBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409231890	557023599	/nfs/dbraw/zinc/02/35/99/557023599.db2.gz	LOWSATSSMOFSAM-DEDYPNTBSA-N	-1	0	434.492	5.040	40	10		IKCBRM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S	ZINC000409214704	557029441	/nfs/dbraw/zinc/02/94/41/557029441.db2.gz	XUDRQCMXCPOPSL-UNOMPAQXSA-N	-1	0	437.498	5.059	40	10		IKCBRM
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408526403	557030632	/nfs/dbraw/zinc/03/06/32/557030632.db2.gz	BFYBSIPBTIUQRS-ZROIWOOFSA-N	-1	0	449.692	5.038	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)c1	ZINC000409253496	557037769	/nfs/dbraw/zinc/03/77/69/557037769.db2.gz	VCWDJHDLZXXCMR-LDADJPATSA-N	-1	0	436.920	5.048	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)[N-]C2=S)c1	ZINC000409222245	557044248	/nfs/dbraw/zinc/04/42/48/557044248.db2.gz	WIUMHUQMSXISAQ-HKWRFOASSA-N	-1	0	444.581	5.286	40	10		IKCBRM
CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc1C(C)C	ZINC000409226309	557050890	/nfs/dbraw/zinc/05/08/90/557050890.db2.gz	MVCQDKDHHHEFDW-SFQUDFHCSA-N	-1	0	442.968	5.002	40	10		IKCBRM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	ZINC000409229594	557055630	/nfs/dbraw/zinc/05/56/30/557055630.db2.gz	RQAYGPALOOMMPF-KGENOOAVSA-N	-1	0	448.931	5.466	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)c(C)c1	ZINC000409340378	557068195	/nfs/dbraw/zinc/06/81/95/557068195.db2.gz	VYYPHRQUBFCNLP-CIAFOILYSA-N	-1	0	449.553	5.976	40	10		IKCBRM
Cc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409335952	557072514	/nfs/dbraw/zinc/07/25/14/557072514.db2.gz	ZYFAMMGSGZZMOO-MOSHPQCFSA-N	-1	0	440.590	5.326	40	10		IKCBRM
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)c1	ZINC000409349121	557077242	/nfs/dbraw/zinc/07/72/42/557077242.db2.gz	UMYKAAHYSXVRIV-UDWIEESQSA-N	-1	0	435.526	5.667	40	10		IKCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)[N-]C2=S)c1	ZINC000409233854	557077264	/nfs/dbraw/zinc/07/72/64/557077264.db2.gz	IBFFWWLKXFMEEL-RCCKNPSSSA-N	-1	0	444.581	5.286	40	10		IKCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Sc2ccccc2)C1=O	ZINC000409247348	557080290	/nfs/dbraw/zinc/08/02/90/557080290.db2.gz	NAQXGFSVYRZJLH-JXAWBTAJSA-N	-1	0	448.931	5.466	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000100525451	557114729	/nfs/dbraw/zinc/11/47/29/557114729.db2.gz	UIRCWNMDXGEWQD-DUPNKOKHSA-N	-1	0	440.872	5.247	40	10		IKCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1	ZINC000409339467	557116986	/nfs/dbraw/zinc/11/69/86/557116986.db2.gz	ILOSJZOVDGYQCV-WOJGMQOQSA-N	-1	0	447.965	5.832	40	10		IKCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)cc1	ZINC000409339701	557117359	/nfs/dbraw/zinc/11/73/59/557117359.db2.gz	KUFMITKFFROOSF-UDWIEESQSA-N	-1	0	435.526	5.667	40	10		IKCBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000409347482	557127425	/nfs/dbraw/zinc/12/74/25/557127425.db2.gz	PZIAYWGFUNECSI-YBFXNURJSA-N	-1	0	439.489	5.498	40	10		IKCBRM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1Cl	ZINC000409351281	557129502	/nfs/dbraw/zinc/12/95/02/557129502.db2.gz	SZQSQKPWXCSXSV-WOJGMQOQSA-N	-1	0	447.965	5.832	40	10		IKCBRM
Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409351268	557129620	/nfs/dbraw/zinc/12/96/20/557129620.db2.gz	SVPREESUHRHPJA-BKUYFWCQSA-N	-1	0	448.569	5.194	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(OC)c1OC	ZINC000103919335	557140211	/nfs/dbraw/zinc/14/02/11/557140211.db2.gz	IRSLRDUHQRJYQC-ZHZULCJRSA-N	-1	0	436.537	5.202	40	10		IKCBRM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C	ZINC000103919151	557140643	/nfs/dbraw/zinc/14/06/43/557140643.db2.gz	VCUZUWCESWXRAZ-ZHZULCJRSA-N	-1	0	435.509	5.402	40	10		IKCBRM
CC(=Nc1cc(Cl)ccc1Cl)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000103920936	557140915	/nfs/dbraw/zinc/14/09/15/557140915.db2.gz	SFWTYCSQLRPZEV-STZFKDTASA-N	-1	0	440.305	6.270	40	10		IKCBRM
CC(=Nc1ccccc1Cl)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000103920875	557140970	/nfs/dbraw/zinc/14/09/70/557140970.db2.gz	YZHGUMMYFGJEMU-QNGOZBTKSA-N	-1	0	444.947	6.087	40	10		IKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	ZINC000408736258	557143923	/nfs/dbraw/zinc/14/39/23/557143923.db2.gz	OEYXBHFURHLQQP-SLSDLSHTSA-N	-1	0	442.471	5.699	40	10		IKCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCCC1	ZINC000408739324	557147343	/nfs/dbraw/zinc/14/73/43/557147343.db2.gz	BDKZDWWUKSQBAU-UDWIEESQSA-N	-1	0	441.984	5.095	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1	ZINC000408742455	557150426	/nfs/dbraw/zinc/15/04/26/557150426.db2.gz	WQAJAYQPFVQPTQ-WJDWOHSUSA-N	-1	0	441.270	5.228	40	10		IKCBRM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1	ZINC000408758096	557171290	/nfs/dbraw/zinc/17/12/90/557171290.db2.gz	GNJCHDUIVGTNCL-PXLXIMEGSA-N	-1	0	446.890	5.271	40	10		IKCBRM
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000408756108	557174512	/nfs/dbraw/zinc/17/45/12/557174512.db2.gz	XOVOOURUEXYCNO-ATVHPVEESA-N	-1	0	448.862	5.434	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000408763493	557180093	/nfs/dbraw/zinc/18/00/93/557180093.db2.gz	SLHKMRUQQCPXLH-CIAFOILYSA-N	-1	0	447.922	5.031	40	10		IKCBRM
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C(=O)[O-])ccc2C)cc1	ZINC000408777297	557200076	/nfs/dbraw/zinc/20/00/76/557200076.db2.gz	YAXCNVXMAAJHDR-FYJGNVAPSA-N	-1	0	440.455	5.381	40	10		IKCBRM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000025693373	557222374	/nfs/dbraw/zinc/22/23/74/557222374.db2.gz	SQOXGXCYIDDLGW-SXAUZNKPSA-N	-1	0	426.454	5.792	40	10		IKCBRM
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl	ZINC000112293089	557239147	/nfs/dbraw/zinc/23/91/47/557239147.db2.gz	QIYQDEHJWLWRNU-UNOMPAQXSA-N	-1	0	433.295	5.790	40	10		IKCBRM
CC(=Nc1ccccc1Sc1ccccc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000112296361	557239623	/nfs/dbraw/zinc/23/96/23/557239623.db2.gz	HKYIMPQHDRXWOZ-KQWNVCNZSA-N	-1	0	444.516	5.855	40	10		IKCBRM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	ZINC000027501252	557263105	/nfs/dbraw/zinc/26/31/05/557263105.db2.gz	YZJKWQFHJBJAAX-BKUYFWCQSA-N	-1	0	446.890	5.423	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100524936	557263333	/nfs/dbraw/zinc/26/33/33/557263333.db2.gz	HBSIOLKTUUJOJG-GEJZQBIKSA-N	-1	0	444.347	6.300	40	10		IKCBRM
CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1	ZINC000100510935	557263365	/nfs/dbraw/zinc/26/33/65/557263365.db2.gz	GYICOCZDAFZWFB-QTJUSOIVSA-N	-1	0	447.520	5.170	40	10		IKCBRM
CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1	ZINC000100510931	557263378	/nfs/dbraw/zinc/26/33/78/557263378.db2.gz	GYICOCZDAFZWFB-RMBMZXQHSA-N	-1	0	447.520	5.170	40	10		IKCBRM
O=C([O-])c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000113836127	557307543	/nfs/dbraw/zinc/30/75/43/557307543.db2.gz	QMPSQXISLRNEHK-WOJGMQOQSA-N	-1	0	425.462	5.190	40	10		IKCBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)SC2=S)cc1	ZINC000113836937	557307627	/nfs/dbraw/zinc/30/76/27/557307627.db2.gz	WKVUEIIWEOCNCE-XDHOZWIPSA-N	-1	0	437.498	5.059	40	10		IKCBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000103560312	557316500	/nfs/dbraw/zinc/31/65/00/557316500.db2.gz	JTMXFYHEGMFPPR-SMIQVMJNSA-N	-1	0	434.481	5.210	40	10		IKCBRM
Cc1ccccc1NC(=O)c1cc2cc(/N=N\c3ccccc3C(=O)[O-])ccc2oc1=O	ZINC000104276017	557323621	/nfs/dbraw/zinc/32/36/21/557323621.db2.gz	CHBAPMADBCPJAX-RQZHXJHFSA-N	-1	0	427.416	5.467	40	10		IKCBRM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C	ZINC000013575911	557348708	/nfs/dbraw/zinc/34/87/08/557348708.db2.gz	XVHFAOZYWBEXLB-STZFKDTASA-N	-1	0	442.906	5.499	40	10		IKCBRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)N21	ZINC000222699872	557375821	/nfs/dbraw/zinc/37/58/21/557375821.db2.gz	AKFNTNQDERCJSM-CDNPAEQRSA-N	-1	0	446.576	5.167	40	10		IKCBRM
Cc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1Cl	ZINC000014153059	557423850	/nfs/dbraw/zinc/42/38/50/557423850.db2.gz	DTKIYKLCMYIINS-UHFFFAOYSA-N	-1	0	431.319	5.426	40	10		IKCBRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1	ZINC000223258462	557451734	/nfs/dbraw/zinc/45/17/34/557451734.db2.gz	MDRZLRMMDJDELZ-UHFFFAOYSA-N	-1	0	429.350	5.316	40	10		IKCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	ZINC000223552000	557484948	/nfs/dbraw/zinc/48/49/48/557484948.db2.gz	WENYSGVWYMKCIC-OVBDPADQSA-N	-1	0	445.563	5.162	40	10		IKCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1	ZINC000223552207	557485023	/nfs/dbraw/zinc/48/50/23/557485023.db2.gz	QLOIOLNGZNWLDE-SDLXJUDFSA-N	-1	0	445.563	5.162	40	10		IKCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O	ZINC000223558596	557485701	/nfs/dbraw/zinc/48/57/01/557485701.db2.gz	PCMATBAKCDYIGK-SXZORUHJSA-N	-1	0	445.563	5.162	40	10		IKCBRM
CCN1c2cc(C)c(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223578647	557488211	/nfs/dbraw/zinc/48/82/11/557488211.db2.gz	JSJCDJIVGMLMMC-OVBDPADQSA-N	-1	0	445.563	5.082	40	10		IKCBRM
COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000019635893	557502765	/nfs/dbraw/zinc/50/27/65/557502765.db2.gz	BCGYLECXECPKIS-QJOMJCCJSA-N	-1	0	442.475	5.049	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033331256	557807413	/nfs/dbraw/zinc/80/74/13/557807413.db2.gz	CXJWZWOLHGIMRP-OEAKJJBVSA-N	-1	0	427.504	5.526	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000033934896	557810449	/nfs/dbraw/zinc/81/04/49/557810449.db2.gz	LFYSEAFGWKRWNP-FYJGNVAPSA-N	-1	0	433.895	5.250	40	10		IKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000058837607	557812766	/nfs/dbraw/zinc/81/27/66/557812766.db2.gz	KWXKXFDOEVSSGE-CZSZKKDXSA-N	-1	0	431.919	6.444	40	10		IKCBRM
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	ZINC000058845655	557812825	/nfs/dbraw/zinc/81/28/25/557812825.db2.gz	CFQHKEPROCSUGD-GLDPYIMESA-N	-1	0	446.528	5.012	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)cc1	ZINC000059104648	557814326	/nfs/dbraw/zinc/81/43/26/557814326.db2.gz	NXWJVADQDLASCN-FSJBWODESA-N	-1	0	442.515	5.367	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000059134983	557815094	/nfs/dbraw/zinc/81/50/94/557815094.db2.gz	MDHGNIANSAZZDW-MHWRWJLKSA-N	-1	0	445.233	5.899	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C	ZINC000059135927	557815590	/nfs/dbraw/zinc/81/55/90/557815590.db2.gz	LFXHFSDIRXGSMO-QGOAFFKASA-N	-1	0	433.508	5.213	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000059135930	557815613	/nfs/dbraw/zinc/81/56/13/557815613.db2.gz	UYXVTXOUTSBZBO-CPNJWEJPSA-N	-1	0	447.535	5.522	40	10		IKCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000059137281	557816027	/nfs/dbraw/zinc/81/60/27/557816027.db2.gz	SELFYUHXLNONLX-RGVLZGJSSA-N	-1	0	437.858	5.393	40	10		IKCBRM
CCc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)[N-]C1=S	ZINC000059137971	557816050	/nfs/dbraw/zinc/81/60/50/557816050.db2.gz	OUBXFHYSAMYCPF-XMHGGMMESA-N	-1	0	448.569	5.973	40	10		IKCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)c1	ZINC000059137930	557816072	/nfs/dbraw/zinc/81/60/72/557816072.db2.gz	VCCHUGNMDUROQP-XSFVSMFZSA-N	-1	0	448.500	5.645	40	10		IKCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	ZINC000059137967	557816095	/nfs/dbraw/zinc/81/60/95/557816095.db2.gz	IIOQXYOBFNZNLF-DEDYPNTBSA-N	-1	0	448.569	6.028	40	10		IKCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1	ZINC000059137947	557816113	/nfs/dbraw/zinc/81/61/13/557816113.db2.gz	AEMNNKXFXNUHKY-XSFVSMFZSA-N	-1	0	432.501	5.808	40	10		IKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000059401642	557822611	/nfs/dbraw/zinc/82/26/11/557822611.db2.gz	HLYGBPACPVDOPT-UFPGJGBJSA-N	-1	0	445.946	6.752	40	10		IKCBRM
Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000059953698	557827815	/nfs/dbraw/zinc/82/78/15/557827815.db2.gz	ZJQJKUKAWMCKSO-UKTHLTGXSA-N	-1	0	430.316	5.455	40	10		IKCBRM
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cccs1	ZINC000059860454	557827839	/nfs/dbraw/zinc/82/78/39/557827839.db2.gz	OBOYRVOAEHQQDY-SRZZPIQSSA-N	-1	0	432.545	5.723	40	10		IKCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)ccc1Br	ZINC000059859521	557827880	/nfs/dbraw/zinc/82/78/80/557827880.db2.gz	KDWOGEDDCHXVTR-GZTJUZNOSA-N	-1	0	427.298	5.388	40	10		IKCBRM
CCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	ZINC000107872852	569251488	/nfs/dbraw/zinc/25/14/88/569251488.db2.gz	GHIRBSTZMGFBIP-XSFVSMFZSA-N	-1	0	440.927	5.274	40	10		IKCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	ZINC000033634683	569259533	/nfs/dbraw/zinc/25/95/33/569259533.db2.gz	UAFXTJXFQOYFGT-WQRHYEAKSA-N	-1	0	439.298	5.034	40	10		IKCBRM
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c1	ZINC000214122066	569261541	/nfs/dbraw/zinc/26/15/41/569261541.db2.gz	OAYHFNOHWHHXTO-YBFXNURJSA-N	-1	0	439.876	5.535	40	10		IKCBRM