smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1	ZINC000012465166	519009461	/nfs/dbraw/zinc/00/94/61/519009461.db2.gz	SDATYLAYECXQEA-ONUIUJJFSA-N	0	1	428.561	6.580	40	30		IKEBMN
CCCCCCCCCCCCCCCc1cc(=O)n(-c2nc3ccc(N)cc3s2)[nH]1	ZINC000104140608	519990694	/nfs/dbraw/zinc/99/06/94/519990694.db2.gz	HNRCSLGXODUIDY-UHFFFAOYSA-N	0	1	442.673	7.453	40	30		IKEBMN
CCCCOC(=O)C(=O)[C@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C	ZINC000102977268	520700656	/nfs/dbraw/zinc/70/06/56/520700656.db2.gz	ICLAEGNEUPSKPX-DNQXCXABSA-N	0	1	448.559	5.036	40	30		IKEBMN
COc1c2c(cc3c1[C@@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2	ZINC000036035051	521886318	/nfs/dbraw/zinc/88/63/18/521886318.db2.gz	DXIVGIUXGUGYMH-NBHLSZMOSA-N	0	1	428.573	5.502	40	30		IKEBMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1O	ZINC000016194969	522973598	/nfs/dbraw/zinc/97/35/98/522973598.db2.gz	MMKNEGWWHJENRT-VULFUBBASA-N	0	1	439.427	6.021	40	30		IKEBMN
COc1ccccc1/N=C(\c1ccc(N(C)C)cc1)N(Cc1ccccc1)Cc1ccccc1	ZINC000049967678	524327933	/nfs/dbraw/zinc/32/79/33/524327933.db2.gz	DLYGLGJMKDZOBC-NVQSTNCTSA-N	0	1	449.598	6.542	40	30		IKEBMN
Cc1ccc(S(=O)(=O)ON=C2C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C2)cc1	ZINC000073336589	525623541	/nfs/dbraw/zinc/62/35/41/525623541.db2.gz	MTAKRODIHJFYMH-JWQCQUIFSA-N	0	1	434.561	5.265	40	30		IKEBMN
NS(=O)(=O)c1ccc(-c2ccc(CN=Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1	ZINC000013127227	527306597	/nfs/dbraw/zinc/30/65/97/527306597.db2.gz	LFSBVJDTPMSTJJ-LSFURLLWSA-N	0	1	444.727	5.000	40	30		IKEBMN
FC(F)Oc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(OC(F)F)c1	ZINC000012623305	527695740	/nfs/dbraw/zinc/69/57/40/527695740.db2.gz	WAGSFOSOAXWFLG-TXNBCWFRSA-N	0	1	431.600	6.296	40	30		IKEBMN
O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl	ZINC000001657194	555708157	/nfs/dbraw/zinc/70/81/57/555708157.db2.gz	DWTDAHZAAFLAKG-KPSZGOFPSA-N	0	1	432.543	5.266	40	30		IKEBMN
COc1cc(C=Nn2c(=S)[nH]nc2C(C)C)ccc1OCc1c(F)cccc1Cl	ZINC000001807366	555717596	/nfs/dbraw/zinc/71/75/96/555717596.db2.gz	TWVAZBYEPPHGJF-AUEPDCJTSA-N	0	1	434.924	5.326	40	30		IKEBMN
CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1	ZINC000005065305	556031062	/nfs/dbraw/zinc/03/10/62/556031062.db2.gz	PCAIZXFSAQUOMS-WOLHVBPDSA-N	0	1	427.269	5.841	40	30		IKEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000408659198	556044119	/nfs/dbraw/zinc/04/41/19/556044119.db2.gz	OVMUBXQXWGMBPH-DHRITJCHSA-N	0	1	425.319	5.905	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000408659198	556044121	/nfs/dbraw/zinc/04/41/21/556044121.db2.gz	OVMUBXQXWGMBPH-DHRITJCHSA-N	0	1	425.319	5.905	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408665631	556049550	/nfs/dbraw/zinc/04/95/50/556049550.db2.gz	UMALMHYVGJDGLK-ZVHZXABRSA-N	0	1	435.325	5.361	40	30		IKEBMN
CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408913348	556499330	/nfs/dbraw/zinc/49/93/30/556499330.db2.gz	QBYXIXJLFCBHBY-WHMJDIIHSA-N	0	1	441.509	5.020	40	30		IKEBMN
COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)cc1	ZINC000030823034	556507169	/nfs/dbraw/zinc/50/71/69/556507169.db2.gz	PDUJMKBDRQIUOU-DEOSSOPVSA-N	0	1	430.529	5.577	40	30		IKEBMN
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O	ZINC000032114812	556531174	/nfs/dbraw/zinc/53/11/74/556531174.db2.gz	PRJSIHAJRKCVJK-YCPBAFNGSA-N	0	1	443.793	6.099	40	30		IKEBMN
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br	ZINC000408945941	556546443	/nfs/dbraw/zinc/54/64/43/556546443.db2.gz	XSLBOQDZPZXFRQ-JDTUQCDQSA-N	0	1	445.360	6.732	40	30		IKEBMN
Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccco1	ZINC000016282699	556596814	/nfs/dbraw/zinc/59/68/14/556596814.db2.gz	JDEHPFUTJPDYQZ-LSHDLFTRSA-N	0	1	433.689	5.712	40	30		IKEBMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1	ZINC000016384301	556604262	/nfs/dbraw/zinc/60/42/62/556604262.db2.gz	FSGZUFKEDFYESU-UFFVCSGVSA-N	0	1	430.129	5.049	40	30		IKEBMN
CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1	ZINC000017002754	556652631	/nfs/dbraw/zinc/65/26/31/556652631.db2.gz	PCAIZXFSAQUOMS-ASBHVJNYSA-N	0	1	427.269	5.841	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1NCc1ccccc1	ZINC000017125933	556668931	/nfs/dbraw/zinc/66/89/31/556668931.db2.gz	LJFCTAIRZSFJMR-NVJOKUIPSA-N	0	1	439.264	7.081	40	30		IKEBMN
Cc1ccc2oc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3O)nc2c1	ZINC000018097027	556683833	/nfs/dbraw/zinc/68/38/33/556683833.db2.gz	PQDNFSRPUPGFFE-RHANQZHGSA-N	0	1	434.495	6.838	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(F)c1	ZINC000135751682	556719829	/nfs/dbraw/zinc/71/98/29/556719829.db2.gz	FTPXLSCKJZDFHU-YEWWOHFJSA-N	0	1	440.521	5.288	40	30		IKEBMN
N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=C1c1nccs1	ZINC000137022426	556723069	/nfs/dbraw/zinc/72/30/69/556723069.db2.gz	NLLSUPGNVUWQJE-BBBSXOBRSA-N	0	1	437.502	5.048	40	30		IKEBMN
Oc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1	ZINC000000861849	556723103	/nfs/dbraw/zinc/72/31/03/556723103.db2.gz	CZAUDFNZIIGYPX-REZTVBANSA-N	0	1	436.474	5.163	40	30		IKEBMN
Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1	ZINC000409075737	556776701	/nfs/dbraw/zinc/77/67/01/556776701.db2.gz	ZXTDMHYTZNBKBT-KBKYJPHKSA-N	0	1	449.898	6.270	40	30		IKEBMN
O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)c([N+](=O)[O-])c1	ZINC000409107325	556798584	/nfs/dbraw/zinc/79/85/84/556798584.db2.gz	QXQHLCRULNBHGV-YSURURNPSA-N	0	1	447.329	5.155	40	30		IKEBMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000006239709	556830510	/nfs/dbraw/zinc/83/05/10/556830510.db2.gz	RSPYGRYDGWNACG-HSZRJFAPSA-N	0	1	447.918	5.170	40	30		IKEBMN
O=C(Nc1cccnc1)C(=NNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1	ZINC000008685332	556844828	/nfs/dbraw/zinc/84/48/28/556844828.db2.gz	MAQGGHLEDDUYAG-RDRPBHBLSA-N	0	1	446.816	5.043	40	30		IKEBMN
CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408915437	556890283	/nfs/dbraw/zinc/89/02/83/556890283.db2.gz	YKDMNUQNUAMBHR-NMSSZPRHSA-N	0	1	441.509	5.022	40	30		IKEBMN
Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccccc1Br	ZINC000408996041	556912233	/nfs/dbraw/zinc/91/22/33/556912233.db2.gz	GSPLWWLUBOVWIZ-UUYOSTAYSA-N	0	1	425.355	5.912	40	30		IKEBMN
Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccccc1Br	ZINC000408996041	556912238	/nfs/dbraw/zinc/91/22/38/556912238.db2.gz	GSPLWWLUBOVWIZ-UUYOSTAYSA-N	0	1	425.355	5.912	40	30		IKEBMN
CSc1ccccc1/N=C/c1cc(Br)cc(I)c1O	ZINC000409104274	556952871	/nfs/dbraw/zinc/95/28/71/556952871.db2.gz	HDDJSBJWCHCDJT-CAOOACKPSA-N	0	1	448.123	5.232	40	30		IKEBMN
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1O	ZINC000409090263	556951655	/nfs/dbraw/zinc/95/16/55/556951655.db2.gz	LUXDHQRXXABAAS-DKZNWEEVSA-N	0	1	447.398	5.998	40	30		IKEBMN
FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)nc1	ZINC000409098562	556954082	/nfs/dbraw/zinc/95/40/82/556954082.db2.gz	QKGBSPKXKDUESC-YPXUMCKCSA-N	0	1	440.252	6.432	40	30		IKEBMN
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1	ZINC000409105763	556958527	/nfs/dbraw/zinc/95/85/27/556958527.db2.gz	OKTIPRHQEITJRN-KVSWJAHQSA-N	0	1	449.860	6.178	40	30		IKEBMN
COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000013940973	556975055	/nfs/dbraw/zinc/97/50/55/556975055.db2.gz	UKHMSCAXIQKJQL-MYYYXRDXSA-N	0	1	446.532	5.086	40	30		IKEBMN
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21	ZINC000208247166	557080154	/nfs/dbraw/zinc/08/01/54/557080154.db2.gz	VWVLDCHQXCLOTH-VTGBELTLSA-N	0	1	431.880	5.324	40	30		IKEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2cccc3ccccc32)c2ccccc12	ZINC000408651577	557083520	/nfs/dbraw/zinc/08/35/20/557083520.db2.gz	GWEJJSYZQXGMEB-STBIYBPSSA-N	0	1	429.527	6.176	40	30		IKEBMN
Cn1c2ccccc2nc1NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1	ZINC000408669929	557095856	/nfs/dbraw/zinc/09/58/56/557095856.db2.gz	XPGOCFASVPFIKZ-DHRITJCHSA-N	0	1	425.319	5.905	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	ZINC000408692631	557103808	/nfs/dbraw/zinc/10/38/08/557103808.db2.gz	RFTQYNXITWOMIB-DHRITJCHSA-N	0	1	426.351	6.217	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000408692508	557103869	/nfs/dbraw/zinc/10/38/69/557103869.db2.gz	OBVVLJWKBVYQGS-VULFUBBASA-N	0	1	439.346	6.388	40	30		IKEBMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1	ZINC000408702516	557124433	/nfs/dbraw/zinc/12/44/33/557124433.db2.gz	GTQCREIGRBTDDK-OAQYLSRUSA-N	0	1	427.928	5.042	40	30		IKEBMN
O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Cl)cc(Cl)c1O	ZINC000408742919	557150685	/nfs/dbraw/zinc/15/06/85/557150685.db2.gz	UCSHEFULNOPKDU-ACAGNQJTSA-N	0	1	444.137	5.353	40	30		IKEBMN
COc1c2c(cc3c1[C@@H](CC(/C=C\[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2	ZINC000108234789	557168521	/nfs/dbraw/zinc/16/85/21/557168521.db2.gz	SVSPODGIYWQUSW-ROTSNUHVSA-N	0	1	426.557	5.112	40	30		IKEBMN
CCCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1	ZINC000100166341	557245542	/nfs/dbraw/zinc/24/55/42/557245542.db2.gz	GJFPSZBVNADEQP-XTCLZLMSSA-N	0	1	427.545	6.569	40	30		IKEBMN
O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43	ZINC000103693184	557318059	/nfs/dbraw/zinc/31/80/59/557318059.db2.gz	DKTMGOWAHFWZTD-VERVWZFWSA-N	0	1	428.702	5.998	40	30		IKEBMN
CCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC	ZINC000014357131	557335395	/nfs/dbraw/zinc/33/53/95/557335395.db2.gz	KWBBPTVVWSVTPF-ZTKZIYFRSA-N	0	1	441.575	5.206	40	30		IKEBMN
COc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1	ZINC000014163664	557424810	/nfs/dbraw/zinc/42/48/10/557424810.db2.gz	PMCSJVLUTVSTSD-SGANQWHYSA-N	0	1	429.520	5.144	40	30		IKEBMN
Brc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1	ZINC000014408423	557443999	/nfs/dbraw/zinc/44/39/99/557443999.db2.gz	UZIYNKIVXDCNLV-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
Brc1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1	ZINC000014408423	557444003	/nfs/dbraw/zinc/44/40/03/557444003.db2.gz	UZIYNKIVXDCNLV-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
Cc1c(Br)cc(C=NN=c2[nH]c3ccccc3s2)cc1Br	ZINC000014408403	557444067	/nfs/dbraw/zinc/44/40/67/557444067.db2.gz	BHTFTSWDQMGSPU-QGMBQPNBSA-N	0	1	425.149	5.576	40	30		IKEBMN
Brc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1	ZINC000014408430	557444108	/nfs/dbraw/zinc/44/41/08/557444108.db2.gz	OUWAGWDEDUGJFM-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000104099761	557450030	/nfs/dbraw/zinc/45/00/30/557450030.db2.gz	LAGMNEWJJIXYGR-FSJBWODESA-N	0	1	435.332	5.559	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1	ZINC000033535117	557808299	/nfs/dbraw/zinc/80/82/99/557808299.db2.gz	HMBJRYXRASHMAK-RMMZUQQZSA-N	0	1	436.606	5.543	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1Cl	ZINC000059034387	557813592	/nfs/dbraw/zinc/81/35/92/557813592.db2.gz	REXOCEMJDCCSSH-AFUMVMLFSA-N	0	1	437.952	6.373	40	30		IKEBMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1Cl	ZINC000059034387	557813594	/nfs/dbraw/zinc/81/35/94/557813594.db2.gz	REXOCEMJDCCSSH-AFUMVMLFSA-N	0	1	437.952	6.373	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1F	ZINC000059194429	557818227	/nfs/dbraw/zinc/81/82/27/557818227.db2.gz	SPWFUDRLHHVJCE-AFUMVMLFSA-N	0	1	435.480	5.499	40	30		IKEBMN
O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000059194441	557818233	/nfs/dbraw/zinc/81/82/33/557818233.db2.gz	ZJNZJUVYELLIQS-WYMPLXKRSA-N	0	1	442.327	6.268	40	30		IKEBMN
Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2[nH]1	ZINC000059417075	557822782	/nfs/dbraw/zinc/82/27/82/557822782.db2.gz	KHUZKZFEAOBHKS-JFLMPSFJSA-N	0	1	426.907	6.395	40	30		IKEBMN
O=C(Oc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl	ZINC000059417093	557822835	/nfs/dbraw/zinc/82/28/35/557822835.db2.gz	GDGYJVGDIYATGK-WYMPLXKRSA-N	0	1	425.275	5.535	40	30		IKEBMN
CCCCc1ccc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1	ZINC000585293767	568632374	/nfs/dbraw/zinc/63/23/74/568632374.db2.gz	LZBWPZJJALWKKF-DEOSSOPVSA-N	0	1	446.624	5.927	40	30		IKEBMN
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1	ZINC000585293556	568632975	/nfs/dbraw/zinc/63/29/75/568632975.db2.gz	ITSBQRVNKHGDOV-DEOSSOPVSA-N	0	1	446.624	5.783	40	30		IKEBMN
Cc1c2ccccc2[nH]c1CN1CCCC[C@H]1c1cc(Nc2ccc(C#N)nc2)nc(C)n1	ZINC000585295087	568633106	/nfs/dbraw/zinc/63/31/06/568633106.db2.gz	ZPNHYEPCIOGBQE-VWLOTQADSA-N	0	1	437.551	5.312	40	30		IKEBMN
Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21	ZINC000585294733	568633154	/nfs/dbraw/zinc/63/31/54/568633154.db2.gz	IOLVYNHEVUDIKJ-DEOSSOPVSA-N	0	1	426.499	5.060	40	30		IKEBMN
Cc1ccc([C@@H]2[C@H](Cc3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]2(C#N)C(N)=O)c(C)c1	ZINC000101874051	568860489	/nfs/dbraw/zinc/86/04/89/568860489.db2.gz	FVNDPQVCVJFAHY-NFWVVERESA-N	0	1	433.555	5.035	40	30		IKEBMN
Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c(C)c1	ZINC000033586437	569261764	/nfs/dbraw/zinc/26/17/64/569261764.db2.gz	WNIVOEVYZGIUOH-YFPORYOGSA-N	0	1	434.586	6.065	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=N)s1	ZINC000034894879	569262004	/nfs/dbraw/zinc/26/20/04/569262004.db2.gz	BQFQPHFRRGAEBR-IHPXMYKLSA-N	0	1	443.638	5.819	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O	ZINC000038179855	569262151	/nfs/dbraw/zinc/26/21/51/569262151.db2.gz	GVIKTYRRIOUFQX-ZMOGYAJESA-N	0	1	439.855	5.355	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1	ZINC000038180022	569262158	/nfs/dbraw/zinc/26/21/58/569262158.db2.gz	FFPZZKBAGURHEH-NXYZXBHKSA-N	0	1	445.475	6.381	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1	ZINC000108019481	569262391	/nfs/dbraw/zinc/26/23/91/569262391.db2.gz	JYDOMNITMMCAAR-PYXFXZIOSA-N	0	1	436.606	5.543	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000138020620	569262683	/nfs/dbraw/zinc/26/26/83/569262683.db2.gz	VEMWTKDRONDLNC-GZPWUMDQSA-N	0	1	435.618	6.266	40	30		IKEBMN
CCN1c2cc(C)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C	ZINC000208322734	569262751	/nfs/dbraw/zinc/26/27/51/569262751.db2.gz	BRPFAJXIVMIAOT-LJGKHRNASA-N	0	1	425.489	5.370	40	30		IKEBMN
CC(C)N1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C	ZINC000260569723	569281304	/nfs/dbraw/zinc/28/13/04/569281304.db2.gz	ROMDTCNGUVCSEB-LJGKHRNASA-N	0	1	425.489	5.450	40	30		IKEBMN
Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)c1	ZINC000003050033	569438964	/nfs/dbraw/zinc/43/89/64/569438964.db2.gz	INBUAJPSCZSKAK-BHGWPJFGSA-N	0	1	441.712	6.675	40	30		IKEBMN
Cc1c(Cl)c(C)c(/C=N/c2cc(-c3ccccc3)ccc2O)c(O)c1Br	ZINC000003068532	569439777	/nfs/dbraw/zinc/43/97/77/569439777.db2.gz	WLOHQRDRFSRNKE-BHGWPJFGSA-N	0	1	430.729	6.548	40	30		IKEBMN
COc1c2c(cc3c1[C@H](C/C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2	ZINC000036035052	521888360	/nfs/dbraw/zinc/88/83/60/521888360.db2.gz	DXIVGIUXGUGYMH-QRUUQNQBSA-N	0	1	428.573	5.502	40	30		IKEBMN
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1[O-])C[N@H+](Cc1ccccc1)CC2	ZINC000012364100	526532734	/nfs/dbraw/zinc/53/27/34/526532734.db2.gz	HOPHACXAULVFIX-KBKYJPHKSA-N	0	1	442.371	5.941	40	30		IKEBMN
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1[O-])C[N@@H+](Cc1ccccc1)CC2	ZINC000012364100	526532741	/nfs/dbraw/zinc/53/27/41/526532741.db2.gz	HOPHACXAULVFIX-KBKYJPHKSA-N	0	1	442.371	5.941	40	30		IKEBMN
O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1	ZINC000100404182	527144482	/nfs/dbraw/zinc/14/44/82/527144482.db2.gz	ZSWLOYHPSHLOFC-FXFSXJFASA-N	0	1	435.936	5.505	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccc(F)cc1	ZINC000035352493	556081035	/nfs/dbraw/zinc/08/10/35/556081035.db2.gz	QRJBCIDGWWQNKY-OKYLLYMWSA-N	0	1	440.521	5.288	40	30		IKEBMN
CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408913346	556498366	/nfs/dbraw/zinc/49/83/66/556498366.db2.gz	QBYXIXJLFCBHBY-AQQMAPHHSA-N	0	1	441.509	5.020	40	30		IKEBMN
Oc1ccccc1C=Nc1ccc(-c2nc3ccc(N=Cc4ccccc4O)cc3[nH]2)cc1	ZINC000016449079	556609017	/nfs/dbraw/zinc/60/90/17/556609017.db2.gz	AWUNALUYKQQNCJ-LPHFKDDMSA-N	0	1	432.483	6.142	40	30		IKEBMN
Oc1c(Cl)cc(Br)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1	ZINC000016545317	556614700	/nfs/dbraw/zinc/61/47/00/556614700.db2.gz	OZQVSUJOSJMMDH-KSEXSDGBSA-N	0	1	427.685	6.367	40	30		IKEBMN
CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1	ZINC000017002750	556652709	/nfs/dbraw/zinc/65/27/09/556652709.db2.gz	PCAIZXFSAQUOMS-CWYRIDLXSA-N	0	1	427.269	5.841	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cs1	ZINC000017060929	556654750	/nfs/dbraw/zinc/65/47/50/556654750.db2.gz	ZSQVWGNKELPHOV-UFWORHAWSA-N	0	1	438.144	5.791	40	30		IKEBMN
C=CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1	ZINC000226344861	556684888	/nfs/dbraw/zinc/68/48/88/556684888.db2.gz	TVKFBNPELPZUGW-UHFFFAOYSA-N	0	1	426.097	5.642	40	30		IKEBMN
CCCOc1c(Br)cc(C=NN=c2[nH]c3ccccc3s2)cc1OCC	ZINC000169890412	556690551	/nfs/dbraw/zinc/69/05/51/556690551.db2.gz	CQHCWECBVOKLFE-MTJSOVHGSA-N	0	1	434.359	5.692	40	30		IKEBMN
CCCOc1c(Br)cc(C=[NH+][N-]c2nc3ccccc3s2)cc1OCC	ZINC000169890412	556690553	/nfs/dbraw/zinc/69/05/53/556690553.db2.gz	CQHCWECBVOKLFE-MTJSOVHGSA-N	0	1	434.359	5.692	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1	ZINC000136336840	556722475	/nfs/dbraw/zinc/72/24/75/556722475.db2.gz	QQKAWCBLQQWTDL-AWQJBHPZSA-N	0	1	426.542	5.065	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1	ZINC000136765655	556722613	/nfs/dbraw/zinc/72/26/13/556722613.db2.gz	QZLRWJMYVFDXQI-AWQJBHPZSA-N	0	1	442.997	5.579	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(O)=C1c1nccs1	ZINC000137369549	556723549	/nfs/dbraw/zinc/72/35/49/556723549.db2.gz	PRUIOZILTKEDFV-JQHCICQGSA-N	0	1	442.565	6.293	40	30		IKEBMN
C#CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl	ZINC000409071425	556774611	/nfs/dbraw/zinc/77/46/11/556774611.db2.gz	OFUVHWKKBVVMFG-NUGSKGIGSA-N	0	1	432.185	5.378	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl	ZINC000409094987	556794297	/nfs/dbraw/zinc/79/42/97/556794297.db2.gz	GQWWWNHWBFGUKU-KVSWJAHQSA-N	0	1	449.860	6.178	40	30		IKEBMN
CCOc1cc(OCC)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br	ZINC000409103267	556796174	/nfs/dbraw/zinc/79/61/74/556796174.db2.gz	GGFVMYSKKNLYDA-NUGSKGIGSA-N	0	1	432.240	5.106	40	30		IKEBMN
COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1	ZINC000409104540	556797790	/nfs/dbraw/zinc/79/77/90/556797790.db2.gz	JPGGZQZTNFFNSE-IPBVOBEMSA-N	0	1	449.860	6.096	40	30		IKEBMN
O=[N+]([O-])c1ccc(Sc2ccccc2)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000409110055	556800289	/nfs/dbraw/zinc/80/02/89/556800289.db2.gz	QJRMEMCMJQYLSS-UDWIEESQSA-N	0	1	439.409	5.008	40	30		IKEBMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000008935002	556852798	/nfs/dbraw/zinc/85/27/98/556852798.db2.gz	XAILHJSBALYCLU-FOKLQQMPSA-N	0	1	427.685	6.367	40	30		IKEBMN
COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)ccc1OCc1ccccc1	ZINC000019860967	556933350	/nfs/dbraw/zinc/93/33/50/556933350.db2.gz	KPZGAVGMRRUEKF-MYYYXRDXSA-N	0	1	430.533	5.386	40	30		IKEBMN
COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1OCc1ccccc1	ZINC000019860969	556933434	/nfs/dbraw/zinc/93/34/34/556933434.db2.gz	MCLSZYHOJNIQLB-MYYYXRDXSA-N	0	1	430.533	5.386	40	30		IKEBMN
Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1	ZINC000409064286	556940942	/nfs/dbraw/zinc/94/09/42/556940942.db2.gz	OSOHQWOCRVXBGS-WSDLNYQXSA-N	0	1	425.355	5.912	40	30		IKEBMN
Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1	ZINC000409064286	556940946	/nfs/dbraw/zinc/94/09/46/556940946.db2.gz	OSOHQWOCRVXBGS-WSDLNYQXSA-N	0	1	425.355	5.912	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C	ZINC000409098610	556954114	/nfs/dbraw/zinc/95/41/14/556954114.db2.gz	QUZMDLXNPVQLAN-NUGSKGIGSA-N	0	1	431.798	5.509	40	30		IKEBMN
CCOc1ccc(/N=C2/SC(Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1	ZINC000409144434	556975997	/nfs/dbraw/zinc/97/59/97/556975997.db2.gz	YMCPOVCJAKYXIM-ZELUPATCSA-N	0	1	442.581	5.077	40	30		IKEBMN
CCOc1ccc(/N=C2/SC(Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1	ZINC000409144430	556976002	/nfs/dbraw/zinc/97/60/02/556976002.db2.gz	YMCPOVCJAKYXIM-GJQPQMNHSA-N	0	1	442.581	5.077	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409212830	557007292	/nfs/dbraw/zinc/00/72/92/557007292.db2.gz	QXZNQHUNCUBXET-FMCGGJTJSA-N	0	1	435.465	5.237	40	30		IKEBMN
COc1ccc(N=Cc2ccc(Sc3nc(-c4ccccc4)n[nH]3)c([N+](=O)[O-])c2)cc1	ZINC000409195477	557011119	/nfs/dbraw/zinc/01/11/19/557011119.db2.gz	VIFJLOAICRUZTJ-OEAKJJBVSA-N	0	1	431.477	5.290	40	30		IKEBMN
Cc1c(C=NN=c2[nH]c3ccccc3n2C)c2ccccc2n1Cc1ccccc1Cl	ZINC000408659687	557094868	/nfs/dbraw/zinc/09/48/68/557094868.db2.gz	PAMDGDFKJSTHJQ-JFLMPSFJSA-N	0	1	427.939	5.984	40	30		IKEBMN
Cn1c2ccccc2nc1NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000408659025	557095055	/nfs/dbraw/zinc/09/50/55/557095055.db2.gz	OQTNECMMUKGSEC-LQKURTRISA-N	0	1	440.934	6.405	40	30		IKEBMN
CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl	ZINC000408661529	557095555	/nfs/dbraw/zinc/09/55/55/557095555.db2.gz	QTNHNHBWLRUJQZ-CVKSISIWSA-N	0	1	434.927	5.650	40	30		IKEBMN
Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccc(C)c(Br)c1	ZINC000408671472	557096204	/nfs/dbraw/zinc/09/62/04/557096204.db2.gz	YTXSLLYOUYDGMF-ZMOGYAJESA-N	0	1	436.357	5.498	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000408692455	557103500	/nfs/dbraw/zinc/10/35/00/557103500.db2.gz	MVJLPJSOEBFZJT-VULFUBBASA-N	0	1	439.346	6.388	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000408692455	557103503	/nfs/dbraw/zinc/10/35/03/557103503.db2.gz	MVJLPJSOEBFZJT-VULFUBBASA-N	0	1	439.346	6.388	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12	ZINC000408692429	557103512	/nfs/dbraw/zinc/10/35/12/557103512.db2.gz	MGPZFPOODILGPY-JFLMPSFJSA-N	0	1	427.939	6.159	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1	ZINC000408692680	557103734	/nfs/dbraw/zinc/10/37/34/557103734.db2.gz	SAQMERHBVVPBIR-CVKSISIWSA-N	0	1	434.927	5.743	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C	ZINC000408692592	557103799	/nfs/dbraw/zinc/10/37/99/557103799.db2.gz	QEIXXWTYSQVCGT-ZVHZXABRSA-N	0	1	436.357	5.672	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C	ZINC000408692605	557103825	/nfs/dbraw/zinc/10/38/25/557103825.db2.gz	QNZKDVWFXMUPLT-DHRITJCHSA-N	0	1	426.351	6.217	40	30		IKEBMN
Cc1ccc(/N=C\c2cc(Br)cc(I)c2O)c(C)c1	ZINC000102648736	557130799	/nfs/dbraw/zinc/13/07/99/557130799.db2.gz	FCDVGNSNPXXYGR-LSCVHKIXSA-N	0	1	430.083	5.127	40	30		IKEBMN
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)cc1	ZINC000408759846	557178051	/nfs/dbraw/zinc/17/80/51/557178051.db2.gz	MTCOMCNYFAKUOV-NVNXTCNLSA-N	0	1	437.746	5.262	40	30		IKEBMN
CCOc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O	ZINC000038162407	557223182	/nfs/dbraw/zinc/22/31/82/557223182.db2.gz	AIDVLLPQRVBAGZ-FBCYGCLPSA-N	0	1	449.526	5.426	40	30		IKEBMN
COc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O	ZINC000038162402	557223213	/nfs/dbraw/zinc/22/32/13/557223213.db2.gz	DAOXQTZFEUBBGE-NGYBGAFCSA-N	0	1	435.499	5.035	40	30		IKEBMN
O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1	ZINC000100404186	557260080	/nfs/dbraw/zinc/26/00/80/557260080.db2.gz	ZSWLOYHPSHLOFC-UAPGPWSHSA-N	0	1	435.936	5.505	40	30		IKEBMN
O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43	ZINC000103693171	557318010	/nfs/dbraw/zinc/31/80/10/557318010.db2.gz	DKTMGOWAHFWZTD-YTEVENLXSA-N	0	1	428.702	5.998	40	30		IKEBMN
CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1	ZINC000104391351	557326417	/nfs/dbraw/zinc/32/64/17/557326417.db2.gz	SFKBCHSNVQZYJD-XLVZBRSZSA-N	0	1	438.616	5.927	40	30		IKEBMN
Cc1c(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	ZINC000014134279	557422444	/nfs/dbraw/zinc/42/24/44/557422444.db2.gz	KLTWPDOFYMBBDS-UVHMKAGCSA-N	0	1	448.357	6.627	40	30		IKEBMN
COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1	ZINC000014163668	557424665	/nfs/dbraw/zinc/42/46/65/557424665.db2.gz	PMCSJVLUTVSTSD-BZQUYTCOSA-N	0	1	429.520	5.144	40	30		IKEBMN
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(Cl)c2O)c1	ZINC000016637020	557474914	/nfs/dbraw/zinc/47/49/14/557474914.db2.gz	AGTQGOBQANRZKM-ZVBGSRNCSA-N	0	1	430.129	5.951	40	30		IKEBMN
Cc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=CC(C)(C)N2C(C)C	ZINC000223500984	557479681	/nfs/dbraw/zinc/47/96/81/557479681.db2.gz	BQGMLCBEZSUTCO-ZMOGYAJESA-N	0	1	437.500	5.668	40	30		IKEBMN
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000017101974	557490737	/nfs/dbraw/zinc/49/07/37/557490737.db2.gz	AMIUUJYTQBRGGW-ZLOXQWCVSA-N	0	1	438.358	6.433	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1	ZINC000019643260	557504214	/nfs/dbraw/zinc/50/42/14/557504214.db2.gz	DEXZBHXZJUAWPP-IXORVSQSSA-N	0	1	445.475	6.381	40	30		IKEBMN
CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1	ZINC000004506597	557536835	/nfs/dbraw/zinc/53/68/35/557536835.db2.gz	BIQMPKOUVFGZMK-QRQIAZFYSA-N	0	1	436.584	7.094	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(C)c1	ZINC000059194469	557818281	/nfs/dbraw/zinc/81/82/81/557818281.db2.gz	XJMAKCOIROEIAA-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1	ZINC000059194469	557818284	/nfs/dbraw/zinc/81/82/84/557818284.db2.gz	XJMAKCOIROEIAA-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Cl)cc1Cl	ZINC000059422060	557823450	/nfs/dbraw/zinc/82/34/50/557823450.db2.gz	UUZVVXUCOREXLX-WYMPLXKRSA-N	0	1	442.327	6.268	40	30		IKEBMN
CCCCc1ccc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)s1	ZINC000585293770	568633163	/nfs/dbraw/zinc/63/31/63/568633163.db2.gz	LZBWPZJJALWKKF-XMMPIXPASA-N	0	1	446.624	5.927	40	30		IKEBMN
N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1	ZINC000585292896	568633228	/nfs/dbraw/zinc/63/32/28/568633228.db2.gz	AZHGXZOSMNVQEK-VWLOTQADSA-N	0	1	439.563	5.750	40	30		IKEBMN
N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=C1c1nccs1	ZINC000033627049	569261689	/nfs/dbraw/zinc/26/16/89/569261689.db2.gz	NLLSUPGNVUWQJE-RBTJZALWSA-N	0	1	437.502	5.048	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)c3)nc2c1	ZINC000038180023	569262162	/nfs/dbraw/zinc/26/21/62/569262162.db2.gz	FFPZZKBAGURHEH-IXORVSQSSA-N	0	1	445.475	6.381	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=C1c1nccs1	ZINC000108043445	569262404	/nfs/dbraw/zinc/26/24/04/569262404.db2.gz	SSVHSOCGXZOHPM-RBTJZALWSA-N	0	1	437.502	5.048	40	30		IKEBMN
CCOC(=O)c1sc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C#N)c1C	ZINC000057313749	569284441	/nfs/dbraw/zinc/28/44/41/569284441.db2.gz	HEOXAODFNZWIMQ-UHFFFAOYSA-N	0	1	449.897	5.134	40	30		IKEBMN
Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3s2)c(O)c1	ZINC000003060154	569439516	/nfs/dbraw/zinc/43/95/16/569439516.db2.gz	BNCSVCOGKZIIOS-SSDVNMTOSA-N	0	1	425.307	5.888	40	30		IKEBMN
Brc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682399	518209983	/nfs/dbraw/zinc/20/99/83/518209983.db2.gz	JEYYRFVFUFXRQW-ONUIUJJFSA-N	0	1	432.365	5.171	40	30		IKEBMN
CC(C)(C)c1cc(C(=O)Nc2nnc(CCN3CCCCC3)s2)cc(C(C)(C)C)c1	ZINC000051145344	518990715	/nfs/dbraw/zinc/99/07/15/518990715.db2.gz	DQXFCJYKFYELSY-UHFFFAOYSA-N	0	1	428.646	5.798	40	30		IKEBMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3cccs3)[C@@H]2c2ccccc2)C1	ZINC000012652067	520261867	/nfs/dbraw/zinc/26/18/67/520261867.db2.gz	DNZMYUGACKGLFJ-XMMPIXPASA-N	0	1	428.557	6.205	40	30		IKEBMN
Cc1ccc(NC(=O)COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1C	ZINC000035415577	525070723	/nfs/dbraw/zinc/07/07/23/525070723.db2.gz	NHCPPJWOIKBRJX-QFEZKATASA-N	0	1	430.533	5.377	40	30		IKEBMN
Cc1ccc(NC(=O)COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1C	ZINC000035415577	525070732	/nfs/dbraw/zinc/07/07/32/525070732.db2.gz	NHCPPJWOIKBRJX-QFEZKATASA-N	0	1	430.533	5.377	40	30		IKEBMN
Cc1ccc(S(=O)(=O)ON=C2C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)cc1	ZINC000073336581	525623183	/nfs/dbraw/zinc/62/31/83/525623183.db2.gz	MTAKRODIHJFYMH-PLQXJYEYSA-N	0	1	434.561	5.265	40	30		IKEBMN
Clc1ccc(N=C(C=CNc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1	ZINC000101062805	526941117	/nfs/dbraw/zinc/94/11/17/526941117.db2.gz	LUPXJMMBJSUUAZ-HNCIKHADSA-N	0	1	446.175	7.503	40	30		IKEBMN
Oc1c(I)cc(Br)cc1/C=N\c1ccccc1Cl	ZINC000409096425	556953111	/nfs/dbraw/zinc/95/31/11/556953111.db2.gz	JSJDJGVLIOLNOP-IDUWFGFVSA-N	0	1	436.474	5.163	40	30		IKEBMN
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Cl)cc(Br)c1O	ZINC000001203654	555679673	/nfs/dbraw/zinc/67/96/73/555679673.db2.gz	DRYWKCKCWHVDNX-ZVBGSRNCSA-N	0	1	436.762	6.050	40	30		IKEBMN
CC(=N\N(Cc1ccccc1)c1ccccc1)/C(C)=N/N(Cc1ccccc1)c1ccccc1	ZINC000005004068	556027417	/nfs/dbraw/zinc/02/74/17/556027417.db2.gz	SOLCRAFWRRSRRT-YESHOFFLSA-N	0	1	446.598	7.152	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000408656959	556037195	/nfs/dbraw/zinc/03/71/95/556037195.db2.gz	MPLCSIGHORBVBU-DHRITJCHSA-N	0	1	425.319	5.905	40	30		IKEBMN
CCOC(=O)c1cccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)c1	ZINC000408692044	556094054	/nfs/dbraw/zinc/09/40/54/556094054.db2.gz	CBPKHYZTSXSOKL-WGOQTCKBSA-N	0	1	429.524	5.086	40	30		IKEBMN
Brc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1	ZINC000008767966	556212630	/nfs/dbraw/zinc/21/26/30/556212630.db2.gz	HMOHOKMTXDYJBL-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O	ZINC000032112056	556530881	/nfs/dbraw/zinc/53/08/81/556530881.db2.gz	CAXQQADHKDZHHV-DHRITJCHSA-N	0	1	429.432	5.666	40	30		IKEBMN
CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1OC	ZINC000032115164	556531554	/nfs/dbraw/zinc/53/15/54/556531554.db2.gz	DLXSZALWMONLTO-SSDVNMTOSA-N	0	1	439.737	5.696	40	30		IKEBMN
COCc1cc(C)nc(NN=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C#N	ZINC000032124632	556533496	/nfs/dbraw/zinc/53/34/96/556533496.db2.gz	HNIBBQGYTUMJTQ-MXAYSNPKSA-N	0	1	447.520	5.222	40	30		IKEBMN
Oc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br	ZINC000408980337	556652595	/nfs/dbraw/zinc/65/25/95/556652595.db2.gz	VNOFQONPEMVGGU-ZMOGYAJESA-N	0	1	441.394	7.077	40	30		IKEBMN
O=S(=O)(N/N=C\c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl	ZINC000017379842	556676851	/nfs/dbraw/zinc/67/68/51/556676851.db2.gz	DWTDAHZAAFLAKG-SWNXQHNESA-N	0	1	432.543	5.266	40	30		IKEBMN
C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000000752010	556692884	/nfs/dbraw/zinc/69/28/84/556692884.db2.gz	VMOSPCSOWBEFCJ-LGZXMISNSA-N	0	1	428.532	5.038	40	30		IKEBMN
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccc(F)cc1	ZINC000000805976	556696922	/nfs/dbraw/zinc/69/69/22/556696922.db2.gz	RNCALSJFLYVAHX-BHGWPJFGSA-N	0	1	447.691	5.950	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(C)c1	ZINC000136774457	556722524	/nfs/dbraw/zinc/72/25/24/556722524.db2.gz	XONUIYXPPCBQFA-XKSJYPCPSA-N	0	1	443.597	6.181	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(O)=C1c1nccs1	ZINC000137151738	556723061	/nfs/dbraw/zinc/72/30/61/556723061.db2.gz	SSVHSOCGXZOHPM-BBBSXOBRSA-N	0	1	437.502	5.048	40	30		IKEBMN
Fc1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cn2)cc1	ZINC000409067723	556771998	/nfs/dbraw/zinc/77/19/98/556771998.db2.gz	QYCFPEADTVDIKT-AMVVHIIESA-N	0	1	439.412	6.418	40	30		IKEBMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000006239690	556830600	/nfs/dbraw/zinc/83/06/00/556830600.db2.gz	RSPYGRYDGWNACG-QHCPKHFHSA-N	0	1	447.918	5.170	40	30		IKEBMN
CCCOc1ccc(C=NNc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1	ZINC000006500669	556834069	/nfs/dbraw/zinc/83/40/69/556834069.db2.gz	HZCRIIWZMQNDPD-YDZHTSKRSA-N	0	1	441.329	5.155	40	30		IKEBMN
O=C(Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc(Cl)cc1	ZINC000408910456	556887769	/nfs/dbraw/zinc/88/77/69/556887769.db2.gz	KIXYJRDQZCQHDI-MXAYSNPKSA-N	0	1	447.882	5.288	40	30		IKEBMN
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br	ZINC000408945938	556897389	/nfs/dbraw/zinc/89/73/89/556897389.db2.gz	XSLBOQDZPZXFRQ-CMSXCWRSSA-N	0	1	445.360	6.732	40	30		IKEBMN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000408992308	556911878	/nfs/dbraw/zinc/91/18/78/556911878.db2.gz	RPBBVAQRUNOVPQ-AFPJDJCSSA-N	0	1	438.702	5.804	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C	ZINC000409101417	556955741	/nfs/dbraw/zinc/95/57/41/556955741.db2.gz	TWXYYGYCMXKPGE-YSURURNPSA-N	0	1	445.825	5.899	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N	ZINC000409102580	556956240	/nfs/dbraw/zinc/95/62/40/556956240.db2.gz	BDSVTHQYGGIINA-VFLNYLIXSA-N	0	1	440.425	5.396	40	30		IKEBMN
O=[N+]([O-])c1cc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c(Cl)cc1Cl	ZINC000409108866	556959804	/nfs/dbraw/zinc/95/98/04/556959804.db2.gz	YMXNXVIMZPYDMB-KTZMUZOWSA-N	0	1	445.184	6.021	40	30		IKEBMN
CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1O	ZINC000409174930	556990043	/nfs/dbraw/zinc/99/00/43/556990043.db2.gz	VVRTUWZDWYPFJW-MUFRIFMGSA-N	0	1	442.902	6.994	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2Cl)c(OC)c1	ZINC000408692028	557102894	/nfs/dbraw/zinc/10/28/94/557102894.db2.gz	BSKIBSWTZXUFKR-CVKSISIWSA-N	0	1	434.927	5.743	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C	ZINC000408692083	557103066	/nfs/dbraw/zinc/10/30/66/557103066.db2.gz	DAAFISRESAGPGW-ZVHZXABRSA-N	0	1	436.357	5.672	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000408692698	557103703	/nfs/dbraw/zinc/10/37/03/557103703.db2.gz	SIXCUNOYNNQRHT-JFLMPSFJSA-N	0	1	427.939	6.159	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000408692658	557103782	/nfs/dbraw/zinc/10/37/82/557103782.db2.gz	RTHCZMCVOGYZPN-OEAKJJBVSA-N	0	1	446.423	5.111	40	30		IKEBMN
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1	ZINC000408702515	557124164	/nfs/dbraw/zinc/12/41/64/557124164.db2.gz	GTQCREIGRBTDDK-NRFANRHFSA-N	0	1	427.928	5.042	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000102273113	557300927	/nfs/dbraw/zinc/30/09/27/557300927.db2.gz	VMZNBUPNEJEWDT-KALUYTGESA-N	0	1	440.393	5.242	40	30		IKEBMN
CCCCOC(=O)C(=O)[C@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C	ZINC000102977263	557311300	/nfs/dbraw/zinc/31/13/00/557311300.db2.gz	ICLAEGNEUPSKPX-BJKOFHAPSA-N	0	1	448.559	5.036	40	30		IKEBMN
O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43	ZINC000103693179	557317943	/nfs/dbraw/zinc/31/79/43/557317943.db2.gz	DKTMGOWAHFWZTD-AMXDTQDGSA-N	0	1	428.702	5.998	40	30		IKEBMN
CCCCCCCCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21	ZINC000104249254	557323398	/nfs/dbraw/zinc/32/33/98/557323398.db2.gz	LZYYDZKWKYBVJG-UHFFFAOYSA-N	0	1	441.706	8.410	40	30		IKEBMN
O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1	ZINC000104283321	557324039	/nfs/dbraw/zinc/32/40/39/557324039.db2.gz	NWEHDIQJVKGIOJ-CIMIHRMLSA-N	0	1	447.510	5.234	40	30		IKEBMN
CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1	ZINC000104391349	557326340	/nfs/dbraw/zinc/32/63/40/557326340.db2.gz	SFKBCHSNVQZYJD-GNVQSUKOSA-N	0	1	438.616	5.927	40	30		IKEBMN
COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1	ZINC000014163676	557424657	/nfs/dbraw/zinc/42/46/57/557424657.db2.gz	PMCSJVLUTVSTSD-MQNRADLISA-N	0	1	429.520	5.144	40	30		IKEBMN
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Br)c2O)c1	ZINC000016637014	557474966	/nfs/dbraw/zinc/47/49/66/557474966.db2.gz	AQPNTTKSTOAMDL-ZVBGSRNCSA-N	0	1	430.129	5.951	40	30		IKEBMN
N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc21	ZINC000033490609	557808975	/nfs/dbraw/zinc/80/89/75/557808975.db2.gz	RCDCKKNRFMINJJ-UZSQBTMGSA-N	0	1	440.553	5.436	40	30		IKEBMN
Clc1cccc(Cl)c1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1	ZINC000059194439	557818275	/nfs/dbraw/zinc/81/82/75/557818275.db2.gz	VFQBJKDHFRHXLU-WYMPLXKRSA-N	0	1	428.344	6.628	40	30		IKEBMN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1O	ZINC000059387303	557822349	/nfs/dbraw/zinc/82/23/49/557822349.db2.gz	TXHQEGPGDODSBX-UHFFFAOYSA-N	0	1	434.363	5.672	40	30		IKEBMN
O=[N+]([O-])c1ccc(Oc2ccccc2C=NNc2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000059514323	557826934	/nfs/dbraw/zinc/82/69/34/557826934.db2.gz	QQMMJHDLHZUUFH-CIAFOILYSA-N	0	1	435.421	5.351	40	30		IKEBMN
Brc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1	ZINC000014407593	568622320	/nfs/dbraw/zinc/62/23/20/568622320.db2.gz	BSBOXZDQMDRFCE-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
Brc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1	ZINC000014407593	568622323	/nfs/dbraw/zinc/62/23/23/568622323.db2.gz	BSBOXZDQMDRFCE-YDZHTSKRSA-N	0	1	438.350	6.084	40	30		IKEBMN
N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1	ZINC000585292890	568632918	/nfs/dbraw/zinc/63/29/18/568632918.db2.gz	AZHGXZOSMNVQEK-RUZDIDTESA-N	0	1	439.563	5.750	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(O)=C1c1nccs1	ZINC000033629241	569261726	/nfs/dbraw/zinc/26/17/26/569261726.db2.gz	LCPNNUXGRMQEKF-KIMFWDJISA-N	0	1	426.950	5.793	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1	ZINC000038180037	569262112	/nfs/dbraw/zinc/26/21/12/569262112.db2.gz	BPQSEHOYMGGIIB-IXORVSQSSA-N	0	1	429.476	6.681	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1	ZINC000107658269	569262302	/nfs/dbraw/zinc/26/23/02/569262302.db2.gz	IMDSMROLARKMDM-PYXFXZIOSA-N	0	1	437.590	5.706	40	30		IKEBMN
N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc21	ZINC000137922426	569262586	/nfs/dbraw/zinc/26/25/86/569262586.db2.gz	RCDCKKNRFMINJJ-PWHRVSNJSA-N	0	1	440.553	5.436	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)SC2=N)s1	ZINC000137613018	569262591	/nfs/dbraw/zinc/26/25/91/569262591.db2.gz	WTAFIAOERBNUDQ-YMJAZQHQSA-N	0	1	442.997	5.579	40	30		IKEBMN
N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1	ZINC000585294702	569583073	/nfs/dbraw/zinc/58/30/73/569583073.db2.gz	UGBDLTHGKSERSU-QFIPXVFZSA-N	0	1	445.592	5.812	40	30		IKEBMN
Brc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000013590718	518209408	/nfs/dbraw/zinc/20/94/08/518209408.db2.gz	CGYDWJBWWXJJQS-LGUFXXKBSA-N	0	1	434.381	5.190	40	30		IKEBMN
COc1c2c(cc3c1[C@@H](CC(/C=C/[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2	ZINC000061992897	521884030	/nfs/dbraw/zinc/88/40/30/521884030.db2.gz	SVSPODGIYWQUSW-HVWNZGRTSA-N	0	1	426.557	5.112	40	30		IKEBMN
CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1	ZINC000032679277	522134381	/nfs/dbraw/zinc/13/43/81/522134381.db2.gz	CKFUKTAKBTZJTA-QQXSKIMKSA-N	0	1	441.560	5.574	40	30		IKEBMN
O=C(CC/C(C/C(=N\O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1	ZINC000104283317	526325175	/nfs/dbraw/zinc/32/51/75/526325175.db2.gz	NWEHDIQJVKGIOJ-JEUVFDQPSA-N	0	1	447.510	5.234	40	30		IKEBMN
COc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1OC	ZINC000000822263	555564146	/nfs/dbraw/zinc/56/41/46/555564146.db2.gz	BUEYLKHZRGSIHI-BRJLIKDPSA-N	0	1	426.303	6.305	40	30		IKEBMN
CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)C2=O)cc(Br)c1O	ZINC000408563170	555907174	/nfs/dbraw/zinc/90/71/74/555907174.db2.gz	JHHUJOCQRCDDTC-SFXQBQATSA-N	0	1	435.236	5.454	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000035242591	556037461	/nfs/dbraw/zinc/03/74/61/556037461.db2.gz	VEMWTKDRONDLNC-JDTRZHCYSA-N	0	1	435.618	6.266	40	30		IKEBMN
CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1	ZINC000408703012	556107433	/nfs/dbraw/zinc/10/74/33/556107433.db2.gz	ZXRZMHZERJDAKH-QFIPXVFZSA-N	0	1	441.955	5.296	40	30		IKEBMN
COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)cc1	ZINC000030823035	556507141	/nfs/dbraw/zinc/50/71/41/556507141.db2.gz	PDUJMKBDRQIUOU-XMMPIXPASA-N	0	1	430.529	5.577	40	30		IKEBMN
Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F	ZINC000016268489	556596028	/nfs/dbraw/zinc/59/60/28/556596028.db2.gz	OTZXKQCVSZMKLX-JJFYIABZSA-N	0	1	431.265	5.350	40	30		IKEBMN
CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl	ZINC000016637207	556618842	/nfs/dbraw/zinc/61/88/42/556618842.db2.gz	MYWSGKIWEUGBMN-ZVBGSRNCSA-N	0	1	430.129	5.951	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1C#N	ZINC000135824225	556720721	/nfs/dbraw/zinc/72/07/21/556720721.db2.gz	DRBZEPUQUANTNL-CRDFWNHQSA-N	0	1	447.541	5.020	40	30		IKEBMN
N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(O)=C1c1nccs1	ZINC000135941479	556721242	/nfs/dbraw/zinc/72/12/42/556721242.db2.gz	FJXLOMPOIPDVBT-JQHCICQGSA-N	0	1	442.565	6.293	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=N)s1	ZINC000136249939	556722246	/nfs/dbraw/zinc/72/22/46/556722246.db2.gz	BQFQPHFRRGAEBR-XCBKRSKDSA-N	0	1	443.638	5.819	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1	ZINC000137045227	556723022	/nfs/dbraw/zinc/72/30/22/556723022.db2.gz	JYDOMNITMMCAAR-IXPXTECGSA-N	0	1	436.606	5.543	40	30		IKEBMN
COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C	ZINC000409067067	556770297	/nfs/dbraw/zinc/77/02/97/556770297.db2.gz	OYWNNKJIVKCQRR-LIMNOBDPSA-N	0	1	432.240	5.105	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl	ZINC000409070336	556774532	/nfs/dbraw/zinc/77/45/32/556774532.db2.gz	FMGWGUQYCJIWDX-LUOAPIJWSA-N	0	1	435.833	5.787	40	30		IKEBMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000008935003	556852650	/nfs/dbraw/zinc/85/26/50/556852650.db2.gz	MEULEEHJVMPQMI-YSURURNPSA-N	0	1	445.675	6.506	40	30		IKEBMN
CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccc(F)cc1	ZINC000408856251	556872277	/nfs/dbraw/zinc/87/22/77/556872277.db2.gz	JNESUBBQWOPIIB-MXAYSNPKSA-N	0	1	444.304	5.407	40	30		IKEBMN
O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1	ZINC000408911604	556888244	/nfs/dbraw/zinc/88/82/44/556888244.db2.gz	ODTDZIRUJIPQOZ-ROTLSHHCSA-N	0	1	439.302	6.351	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F	ZINC000409076012	556943770	/nfs/dbraw/zinc/94/37/70/556943770.db2.gz	WMIHPPNDBHHARS-KVSWJAHQSA-N	0	1	433.405	5.663	40	30		IKEBMN
O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl)Nc1ccccc1	ZINC000409070279	556944570	/nfs/dbraw/zinc/94/45/70/556944570.db2.gz	FHHICGGIPAWTMM-LUOAPIJWSA-N	0	1	448.832	5.217	40	30		IKEBMN
N#Cc1ccccc1COc1ccc2ccccc2c1C=NNc1ccc(C(F)(F)F)cn1	ZINC000409107249	556959133	/nfs/dbraw/zinc/95/91/33/556959133.db2.gz	RKOMWKPXDQYOOO-IBBHUPRXSA-N	0	1	446.432	6.150	40	30		IKEBMN
FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)nc1	ZINC000409114069	556962467	/nfs/dbraw/zinc/96/24/67/556962467.db2.gz	IMLDSPOTGGRWOM-YPXUMCKCSA-N	0	1	440.252	6.432	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1	ZINC000409213159	557007591	/nfs/dbraw/zinc/00/75/91/557007591.db2.gz	OVGYMDYHNVEGKC-WSDLNYQXSA-N	0	1	447.126	6.460	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)c1C	ZINC000408692046	557102818	/nfs/dbraw/zinc/10/28/18/557102818.db2.gz	CDYOZGAYLLTYSD-JVWAILMASA-N	0	1	443.551	5.475	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2Br)c1C	ZINC000408692319	557103051	/nfs/dbraw/zinc/10/30/51/557103051.db2.gz	JRDLLWIBBPMMHF-ZVHZXABRSA-N	0	1	436.357	5.672	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Br)cc2)c1	ZINC000408692289	557103199	/nfs/dbraw/zinc/10/31/99/557103199.db2.gz	JDDONWSRGGDXET-MFKUBSTISA-N	0	1	449.352	5.844	40	30		IKEBMN
CCOC(=O)c1cc(-c2ccc(C=N[N-]c3[nH+]c4ccccc4n3CC)o2)ccc1Cl	ZINC000408692750	557103712	/nfs/dbraw/zinc/10/37/12/557103712.db2.gz	UINDHJUOTHSEAV-AFUMVMLFSA-N	0	1	436.899	5.592	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(C(=O)OC(C)C)c2)c1C	ZINC000408692524	557103814	/nfs/dbraw/zinc/10/38/14/557103814.db2.gz	OKAGDHPOGBZHRE-JVWAILMASA-N	0	1	443.551	5.475	40	30		IKEBMN
CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100249851	557111962	/nfs/dbraw/zinc/11/19/62/557111962.db2.gz	KRWOECHNXKCWSI-UHFFFAOYSA-N	0	1	432.590	5.137	40	30		IKEBMN
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1O	ZINC000100507158	557115758	/nfs/dbraw/zinc/11/57/58/557115758.db2.gz	HGEKBKOYBBFYHE-BRJLIKDPSA-N	0	1	431.448	5.793	40	30		IKEBMN
Brc1cc(CN=Nc2ccc3ccccc3n2)ccc1OCc1ccccc1	ZINC000408737942	557145792	/nfs/dbraw/zinc/14/57/92/557145792.db2.gz	KXZPUZJDDKYEFC-MFKUBSTISA-N	0	1	432.321	6.022	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1	ZINC000038180007	557203172	/nfs/dbraw/zinc/20/31/72/557203172.db2.gz	MHYBWYHRROVXPX-ZKJHFGPLSA-N	0	1	439.342	7.771	40	30		IKEBMN
O=C(C1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100115648	557240984	/nfs/dbraw/zinc/24/09/84/557240984.db2.gz	ZSCSEYRTJFTOQR-YFKPBYRVSA-N	0	1	444.187	5.054	40	30		IKEBMN
CCCCCCCCCCCCCCCCCc1cc2nc3ccc(Cl)cc3n2[nH]1	ZINC000100988561	557280759	/nfs/dbraw/zinc/28/07/59/557280759.db2.gz	MEABPWRIKSZWCX-UHFFFAOYSA-N	0	1	430.080	8.883	40	30		IKEBMN
O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1	ZINC000101573475	557294199	/nfs/dbraw/zinc/29/41/99/557294199.db2.gz	RTQUVIKQMWQVQF-HZYJKNPPSA-N	0	1	435.936	5.505	40	30		IKEBMN
CCCCOC(=O)C(=O)[C@@H](C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C	ZINC000102977262	557311214	/nfs/dbraw/zinc/31/12/14/557311214.db2.gz	ICLAEGNEUPSKPX-ZEQRLZLVSA-N	0	1	448.559	5.036	40	30		IKEBMN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1	ZINC000014152522	557423311	/nfs/dbraw/zinc/42/33/11/557423311.db2.gz	NUHFMIGIZHYMER-UHFFFAOYSA-N	0	1	438.727	5.034	40	30		IKEBMN
Clc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4[nH]3)c3ccccc32)c(Cl)c1	ZINC000014407429	557443895	/nfs/dbraw/zinc/44/38/95/557443895.db2.gz	OZHFOHBDTUTWHG-RPPGKUMJSA-N	0	1	434.330	6.319	40	30		IKEBMN
Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Br)c1	ZINC000014408415	557444009	/nfs/dbraw/zinc/44/40/09/557444009.db2.gz	SGICJVNBUFWSRI-FSJBWODESA-N	0	1	439.382	6.221	40	30		IKEBMN
Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Br)c1	ZINC000014408415	557444013	/nfs/dbraw/zinc/44/40/13/557444013.db2.gz	SGICJVNBUFWSRI-FSJBWODESA-N	0	1	439.382	6.221	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1Cl	ZINC000059194417	557818192	/nfs/dbraw/zinc/81/81/92/557818192.db2.gz	QSODRYIAYSHPQY-ZMOGYAJESA-N	0	1	437.908	5.624	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1	ZINC000059194465	557818218	/nfs/dbraw/zinc/81/82/18/557818218.db2.gz	MEBBRXWTMYKWCG-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1	ZINC000059194465	557818219	/nfs/dbraw/zinc/81/82/19/557818219.db2.gz	MEBBRXWTMYKWCG-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)c1	ZINC000059426824	557823647	/nfs/dbraw/zinc/82/36/47/557823647.db2.gz	CRUKEQQRJFKTJH-VIZOYTHASA-N	0	1	437.746	5.317	40	30		IKEBMN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc(Cl)c1O	ZINC000059566768	557824028	/nfs/dbraw/zinc/82/40/28/557824028.db2.gz	DBBAOGXYIBKIBI-XGICHPGQSA-N	0	1	434.131	5.897	40	30		IKEBMN
CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1	ZINC000059475138	557824695	/nfs/dbraw/zinc/82/46/95/557824695.db2.gz	XIPVNGIAEZMVFR-WGOQTCKBSA-N	0	1	432.980	6.643	40	30		IKEBMN
Clc1cc(Cl)c(N=NCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1	ZINC000008989951	568793596	/nfs/dbraw/zinc/79/35/96/568793596.db2.gz	FGACDBQRUPESHX-LSFURLLWSA-N	0	1	444.543	7.115	40	30		IKEBMN
C=C(CCCC)[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)[O-])C(C)C	ZINC000584578851	568866055	/nfs/dbraw/zinc/86/60/55/568866055.db2.gz	ACDVQHBMHPGDII-QHCPKHFHSA-N	0	1	433.556	5.149	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1OC	ZINC000010002143	569261644	/nfs/dbraw/zinc/26/16/44/569261644.db2.gz	GNTPFCOUEHWZBW-MFKUBSTISA-N	0	1	447.516	5.369	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccc(F)cc1	ZINC000034888167	569261977	/nfs/dbraw/zinc/26/19/77/569261977.db2.gz	YJSFJYWCIIBBIS-ILEYUIQDSA-N	0	1	447.560	6.011	40	30		IKEBMN
N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(O)=C1c1nccs1	ZINC000107885216	569262422	/nfs/dbraw/zinc/26/24/22/569262422.db2.gz	HDAMQXPQWBSUKO-HTIFSWEISA-N	0	1	433.533	5.703	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccccc1	ZINC000108168919	569262484	/nfs/dbraw/zinc/26/24/84/569262484.db2.gz	MEKVIHQEISFVFX-FTHAZTDQSA-N	0	1	429.570	5.872	40	30		IKEBMN
N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(O)=C1c1nccs1	ZINC000108206611	569262503	/nfs/dbraw/zinc/26/25/03/569262503.db2.gz	FJXLOMPOIPDVBT-PLXYEHFVSA-N	0	1	442.565	6.293	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1	ZINC000137562355	569262604	/nfs/dbraw/zinc/26/26/04/569262604.db2.gz	FQQPVXOSDRGSML-IXPXTECGSA-N	0	1	436.606	5.543	40	30		IKEBMN
Oc1cc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1nc2ccccc2s1	ZINC000003035854	569437947	/nfs/dbraw/zinc/43/79/47/569437947.db2.gz	WNNQHRRSLJXDGJ-VULFUBBASA-N	0	1	430.916	7.333	40	30		IKEBMN
Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)oc2c1	ZINC000003050050	569438976	/nfs/dbraw/zinc/43/89/76/569438976.db2.gz	QNISAFDGXDMWNB-BHGWPJFGSA-N	0	1	441.712	6.675	40	30		IKEBMN
CC(C)N1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C	ZINC000223541921	519699738	/nfs/dbraw/zinc/69/97/38/519699738.db2.gz	ROMDTCNGUVCSEB-LUILSVGHSA-N	0	1	425.489	5.450	40	30		IKEBMN
COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccc(C(C)(C)C)cc1	ZINC000012464320	523492909	/nfs/dbraw/zinc/49/29/09/523492909.db2.gz	CGUCMZYRDIPULM-UUYOSTAYSA-N	0	1	445.386	5.558	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000013302162	526323538	/nfs/dbraw/zinc/32/35/38/526323538.db2.gz	SXRCRAMXUYPBSX-VULFUBBASA-N	0	1	435.314	6.269	40	30		IKEBMN
Oc1ccccc1-c1nc2ccccc2c(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1	ZINC000013548695	526368096	/nfs/dbraw/zinc/36/80/96/526368096.db2.gz	NZJBGEBULXMVSU-OXUBWTJQSA-N	0	1	430.336	5.144	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(Br)cc2)cc1	ZINC000000753246	555553625	/nfs/dbraw/zinc/55/36/25/555553625.db2.gz	XWCSFRGVLNKEAW-HMAPJEAMSA-N	0	1	429.339	5.309	40	30		IKEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	ZINC000408650564	556026852	/nfs/dbraw/zinc/02/68/52/556026852.db2.gz	FVTCHFPPKBPXAK-UVHMKAGCSA-N	0	1	448.357	6.329	40	30		IKEBMN
COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264191	556270487	/nfs/dbraw/zinc/27/04/87/556270487.db2.gz	IMPPQCOCGDBYKU-SANMLTNESA-N	0	1	439.515	5.908	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O	ZINC000016688218	556626078	/nfs/dbraw/zinc/62/60/78/556626078.db2.gz	XLIHKWBUALQKDQ-MSXFZWOLSA-N	0	1	437.839	5.911	40	30		IKEBMN
COc1ccc(N=C(NC(=NC(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1	ZINC000018007875	556681147	/nfs/dbraw/zinc/68/11/47/556681147.db2.gz	QNWKNRVCSHLFQA-UHFFFAOYSA-N	0	1	433.511	5.841	40	30		IKEBMN
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1	ZINC000136030415	556721529	/nfs/dbraw/zinc/72/15/29/556721529.db2.gz	DVFRERMNILFVNZ-DZDFLSMNSA-N	0	1	436.558	5.539	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(O)=C1c1nccs1	ZINC000136255310	556722232	/nfs/dbraw/zinc/72/22/32/556722232.db2.gz	LCPNNUXGRMQEKF-VGQPPMBJSA-N	0	1	426.950	5.793	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1	ZINC000136454975	556722670	/nfs/dbraw/zinc/72/26/70/556722670.db2.gz	ITBAVBBDPGOBRV-TULHVXHQSA-N	0	1	444.585	5.521	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(Cl)c1	ZINC000136855936	556722959	/nfs/dbraw/zinc/72/29/59/556722959.db2.gz	PJEDWEMBGXMQMM-PPYVRHORSA-N	0	1	427.982	5.930	40	30		IKEBMN
C=CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC	ZINC000409073658	556776103	/nfs/dbraw/zinc/77/61/03/556776103.db2.gz	HOEIYIOKOZNDIC-YSURURNPSA-N	0	1	444.251	5.272	40	30		IKEBMN
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCC	ZINC000409075492	556776708	/nfs/dbraw/zinc/77/67/08/556776708.db2.gz	WHLORNTXAGBFIB-NUGSKGIGSA-N	0	1	432.240	5.106	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1	ZINC000409086839	556790935	/nfs/dbraw/zinc/79/09/35/556790935.db2.gz	HGGSBGICKKUYJC-XODNFHPESA-N	0	1	429.442	5.833	40	30		IKEBMN
CC[C@@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	ZINC000409096545	556794812	/nfs/dbraw/zinc/79/48/12/556794812.db2.gz	KLYACAHTXUJZEJ-BPDROILWSA-N	0	1	445.825	5.899	40	30		IKEBMN
Cc1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cn2)cc1	ZINC000409098576	556795527	/nfs/dbraw/zinc/79/55/27/556795527.db2.gz	QSCACOFTNGSSSL-FJEPWZHXSA-N	0	1	435.449	6.587	40	30		IKEBMN
CCCc1sc(N=NCc2ccc(N(C)C)cc2)nc1-c1ccc(Br)cc1	ZINC000006078139	556828430	/nfs/dbraw/zinc/82/84/30/556828430.db2.gz	PKRGGYVRUTYMFD-OEAKJJBVSA-N	0	1	443.414	6.037	40	30		IKEBMN
Brc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000019808972	556918564	/nfs/dbraw/zinc/91/85/64/556918564.db2.gz	OODAPYZVOYIJIK-ONUIUJJFSA-N	0	1	432.365	5.171	40	30		IKEBMN
CCc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1	ZINC000409101890	556956057	/nfs/dbraw/zinc/95/60/57/556956057.db2.gz	ZKOCSCBTCBNQKN-GIJQJNRQSA-N	0	1	430.083	5.072	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCC	ZINC000409071021	556945304	/nfs/dbraw/zinc/94/53/04/556945304.db2.gz	PSXNBQPHVZPQIJ-AUEPDCJTSA-N	0	1	431.798	5.510	40	30		IKEBMN
C=CCOc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC	ZINC000409092421	556949241	/nfs/dbraw/zinc/94/92/41/556949241.db2.gz	XXYPZLKZJZEDHN-YSURURNPSA-N	0	1	444.251	5.272	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1	ZINC000409099127	556954361	/nfs/dbraw/zinc/95/43/61/556954361.db2.gz	QNMWNSXQMXAREC-KVSWJAHQSA-N	0	1	433.405	5.663	40	30		IKEBMN
Cc1ccc(C)c(/N=C\c2cc(Br)cc(I)c2O)c1	ZINC000409105334	556958606	/nfs/dbraw/zinc/95/86/06/556958606.db2.gz	MUNODCCYNVPFSC-LSCVHKIXSA-N	0	1	430.083	5.127	40	30		IKEBMN
C(=NNc1nc2ccccc2s1)c1cn(Cc2ccc3ccccc3c2)c2ccccc12	ZINC000409211023	557023272	/nfs/dbraw/zinc/02/32/72/557023272.db2.gz	KFRQOEHOPJJBET-NTFVMDSBSA-N	0	1	432.552	6.899	40	30		IKEBMN
C(=[NH+][N-]c1nc2ccccc2s1)c1cn(Cc2ccc3ccccc3c2)c2ccccc12	ZINC000409211023	557023276	/nfs/dbraw/zinc/02/32/76/557023276.db2.gz	KFRQOEHOPJJBET-NTFVMDSBSA-N	0	1	432.552	6.899	40	30		IKEBMN
COc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1cccc2ccccc21	ZINC000408651638	557083530	/nfs/dbraw/zinc/08/35/30/557083530.db2.gz	GZOCKECHEBCNDD-OGLMXYFKSA-N	0	1	436.515	5.760	40	30		IKEBMN
CC1=CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21	ZINC000208460237	557088993	/nfs/dbraw/zinc/08/89/93/557088993.db2.gz	HBSNGWQDCRMBTK-SSDVNMTOSA-N	0	1	429.864	5.234	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408692373	557103365	/nfs/dbraw/zinc/10/33/65/557103365.db2.gz	LCLDAALBRJZQJS-MFKUBSTISA-N	0	1	449.352	5.844	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1c(C)n(Cc2ccc(F)cc2)c2ccccc12	ZINC000408692972	557104147	/nfs/dbraw/zinc/10/41/47/557104147.db2.gz	ZTJFWMIFZRYTFW-LQKURTRISA-N	0	1	425.511	5.953	40	30		IKEBMN
CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1	ZINC000408703011	557120996	/nfs/dbraw/zinc/12/09/96/557120996.db2.gz	ZXRZMHZERJDAKH-JOCHJYFZSA-N	0	1	441.955	5.296	40	30		IKEBMN
CCc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)cc1	ZINC000408763691	557181112	/nfs/dbraw/zinc/18/11/12/557181112.db2.gz	UHSCKOWVCXQIJZ-OVCLIPMQSA-N	0	1	437.746	5.262	40	30		IKEBMN
CCCCCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1O	ZINC000100934004	557279179	/nfs/dbraw/zinc/27/91/79/557279179.db2.gz	YLUKOOAOKITTJJ-PNHLSOANSA-N	0	1	425.573	7.346	40	30		IKEBMN
Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1	ZINC000102896294	557309578	/nfs/dbraw/zinc/30/95/78/557309578.db2.gz	ORXNONNFHLAHLN-YBOYZMIGSA-N	0	1	439.471	5.583	40	30		IKEBMN
CCCCOC(=O)C(=O)[C@@H](C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C	ZINC000102977265	557311230	/nfs/dbraw/zinc/31/12/30/557311230.db2.gz	ICLAEGNEUPSKPX-RPWUZVMVSA-N	0	1	448.559	5.036	40	30		IKEBMN
O=C(CC/C(C/C(=N/O)c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1	ZINC000102985395	557311571	/nfs/dbraw/zinc/31/15/71/557311571.db2.gz	NWEHDIQJVKGIOJ-OYUJONNZSA-N	0	1	447.510	5.234	40	30		IKEBMN
COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1	ZINC000014163672	557424713	/nfs/dbraw/zinc/42/47/13/557424713.db2.gz	PMCSJVLUTVSTSD-ODCWNRFASA-N	0	1	429.520	5.144	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1	ZINC000017096463	557476632	/nfs/dbraw/zinc/47/66/32/557476632.db2.gz	HGFJBZOXMMGFNC-NXYZXBHKSA-N	0	1	429.476	6.681	40	30		IKEBMN
Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C	ZINC000223587887	557489317	/nfs/dbraw/zinc/48/93/17/557489317.db2.gz	QMYSJUKUUDYKQP-ANDSAHIGSA-N	0	1	439.516	5.758	40	30		IKEBMN
Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223587823	557489404	/nfs/dbraw/zinc/48/94/04/557489404.db2.gz	QMYSJUKUUDYKQP-CBFMJHRQSA-N	0	1	439.516	5.758	40	30		IKEBMN
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000017101968	557490734	/nfs/dbraw/zinc/49/07/34/557490734.db2.gz	AMIUUJYTQBRGGW-ZAMGYDSWSA-N	0	1	438.358	6.433	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)cc3)nc2c1	ZINC000019643257	557504202	/nfs/dbraw/zinc/50/42/02/557504202.db2.gz	DEXZBHXZJUAWPP-NXYZXBHKSA-N	0	1	445.475	6.381	40	30		IKEBMN
O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1	ZINC000020060652	557515046	/nfs/dbraw/zinc/51/50/46/557515046.db2.gz	SGAJHBRWDRSGRB-MTDXEUNCSA-N	0	1	437.524	5.939	40	30		IKEBMN
CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1	ZINC000027529294	557557747	/nfs/dbraw/zinc/55/77/47/557557747.db2.gz	KSRLKOSWUQHTNA-ZXVVBBHZSA-N	0	1	426.589	6.769	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1cccc2ccccc21	ZINC000059034415	557813608	/nfs/dbraw/zinc/81/36/08/557813608.db2.gz	ARLMYCKPDMCXJD-JVWAILMASA-N	0	1	439.540	6.483	40	30		IKEBMN
COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1cccc2ccccc21	ZINC000059034415	557813610	/nfs/dbraw/zinc/81/36/10/557813610.db2.gz	ARLMYCKPDMCXJD-JVWAILMASA-N	0	1	439.540	6.483	40	30		IKEBMN
CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000059484264	557825285	/nfs/dbraw/zinc/82/52/85/557825285.db2.gz	KQYMIWGHKXTVLL-PCLIKHOPSA-N	0	1	443.532	5.897	40	30		IKEBMN
O=[N+]([O-])c1ccc(Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)c([N+](=O)[O-])c1	ZINC000059514296	557826879	/nfs/dbraw/zinc/82/68/79/557826879.db2.gz	OCUJMQUIRNMCCW-CIAFOILYSA-N	0	1	435.421	5.351	40	30		IKEBMN
Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2cc(F)ccc21	ZINC000585294734	568632508	/nfs/dbraw/zinc/63/25/08/568632508.db2.gz	IOLVYNHEVUDIKJ-XMMPIXPASA-N	0	1	426.499	5.060	40	30		IKEBMN
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(CC(C)C)s2)n1	ZINC000585293561	568632931	/nfs/dbraw/zinc/63/29/31/568632931.db2.gz	ITSBQRVNKHGDOV-XMMPIXPASA-N	0	1	446.624	5.783	40	30		IKEBMN
COc1ccc(/N=C2\c3cc(F)cc4c3N(C2=O)C(C)(C)C=C4CN2CCC(C)CC2)cc1	ZINC000575473282	568873160	/nfs/dbraw/zinc/87/31/60/568873160.db2.gz	QVTAVNVXMAAQSB-RMLRFSFXSA-N	0	1	447.554	5.209	40	30		IKEBMN
Cc1ccc(NC(=O)COc2cccc(C=NNc3ccc(C(F)(F)F)cn3)c2)cc1C	ZINC000033709451	569261876	/nfs/dbraw/zinc/26/18/76/569261876.db2.gz	WVPRBWAXUIWJPR-NVJOKUIPSA-N	0	1	442.441	5.181	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1	ZINC000034690050	569262032	/nfs/dbraw/zinc/26/20/32/569262032.db2.gz	QZLRWJMYVFDXQI-JGOBEUKDSA-N	0	1	442.997	5.579	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1	ZINC000038180036	569262107	/nfs/dbraw/zinc/26/21/07/569262107.db2.gz	BPQSEHOYMGGIIB-NXYZXBHKSA-N	0	1	429.476	6.681	40	30		IKEBMN
Oc1cc(Br)c(/N=C/c2cc(Br)ccc2O)c(Br)c1	ZINC000038179879	569262183	/nfs/dbraw/zinc/26/21/83/569262183.db2.gz	HESJXPKXYVTDGH-UBKPWBPPSA-N	0	1	449.924	5.136	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(F)c1	ZINC000107701918	569262280	/nfs/dbraw/zinc/26/22/80/569262280.db2.gz	LSDHAKXKUKKTDU-ILEYUIQDSA-N	0	1	447.560	6.011	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1C#N	ZINC000110219944	569262499	/nfs/dbraw/zinc/26/24/99/569262499.db2.gz	DRBZEPUQUANTNL-HTIFSWEISA-N	0	1	447.541	5.020	40	30		IKEBMN
Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c(C)c1	ZINC000138024806	569262655	/nfs/dbraw/zinc/26/26/55/569262655.db2.gz	WNIVOEVYZGIUOH-XOBHVICXSA-N	0	1	434.586	6.065	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(F)c1	ZINC000138396044	569262686	/nfs/dbraw/zinc/26/26/86/569262686.db2.gz	LSDHAKXKUKKTDU-ZDYYVWHCSA-N	0	1	447.560	6.011	40	30		IKEBMN
CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12	ZINC000138168799	569262700	/nfs/dbraw/zinc/26/27/00/569262700.db2.gz	GVTYRXPFNWUZFB-PTORLYRRSA-N	0	1	437.590	5.850	40	30		IKEBMN
Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1	ZINC000003050044	569438918	/nfs/dbraw/zinc/43/89/18/569438918.db2.gz	YDAPZQJKXIVOJF-BHGWPJFGSA-N	0	1	441.712	6.675	40	30		IKEBMN
Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)oc2c1	ZINC000003050039	569438946	/nfs/dbraw/zinc/43/89/46/569438946.db2.gz	UGEGBPMPBARUDQ-BHGWPJFGSA-N	0	1	441.712	6.675	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O	ZINC000003068529	569439772	/nfs/dbraw/zinc/43/97/72/569439772.db2.gz	RTWXNTYBSSWHLF-WYMPLXKRSA-N	0	1	437.839	5.911	40	30		IKEBMN
Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2s1	ZINC000003084361	569439935	/nfs/dbraw/zinc/43/99/35/569439935.db2.gz	VLORKKPPTZPXJW-OGLMXYFKSA-N	0	1	436.536	6.999	40	30		IKEBMN
CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1	ZINC000012468092	519009396	/nfs/dbraw/zinc/00/93/96/519009396.db2.gz	WJDXEUVLCKVSDU-PKAZHMFMSA-N	0	1	442.588	6.366	40	30		IKEBMN
CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3cccs3)[C@H]2c2ccccc2)C1	ZINC000012652072	520261779	/nfs/dbraw/zinc/26/17/79/520261779.db2.gz	DNZMYUGACKGLFJ-DEOSSOPVSA-N	0	1	428.557	6.205	40	30		IKEBMN
CCN(CC)c1ccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1	ZINC000057527918	520882603	/nfs/dbraw/zinc/88/26/03/520882603.db2.gz	VHORGBOCHKIKPA-QUPMIFSKSA-N	0	1	426.608	5.606	40	30		IKEBMN
Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	ZINC000003145412	555891750	/nfs/dbraw/zinc/89/17/50/555891750.db2.gz	LYPHGUZTPGCWFX-UHFFFAOYSA-N	0	1	428.620	7.794	40	30		IKEBMN
CCOc1ccc(/N=C(/CNc2ccc(OCC)cc2)Nc2ccc(OCC)cc2)cc1	ZINC000004235300	555977852	/nfs/dbraw/zinc/97/78/52/555977852.db2.gz	UKRIPEKAGQYKIX-UHFFFAOYSA-N	0	1	433.552	6.137	40	30		IKEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000408662255	556043227	/nfs/dbraw/zinc/04/32/27/556043227.db2.gz	RDLPRWNYVDMSKH-UVHMKAGCSA-N	0	1	448.357	6.329	40	30		IKEBMN
Clc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c(Cl)c1	ZINC000008935104	556235399	/nfs/dbraw/zinc/23/53/99/556235399.db2.gz	BPHVSZDEIYXGOZ-KIBLKLHPSA-N	0	1	435.141	7.594	40	30		IKEBMN
COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Nc1ccccc1	ZINC000009264190	556270386	/nfs/dbraw/zinc/27/03/86/556270386.db2.gz	IMPPQCOCGDBYKU-AREMUKBSSA-N	0	1	439.515	5.908	40	30		IKEBMN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000039921290	556438138	/nfs/dbraw/zinc/43/81/38/556438138.db2.gz	GSQAAKAOMJBFDI-DEOSSOPVSA-N	0	1	446.528	6.757	40	30		IKEBMN
CC(=N/N(Cc1ccccc1)c1ccccc1)/C(C)=N\N(Cc1ccccc1)c1ccccc1	ZINC000031671940	556525518	/nfs/dbraw/zinc/52/55/18/556525518.db2.gz	SOLCRAFWRRSRRT-WVMMTVHUSA-N	0	1	446.598	7.152	40	30		IKEBMN
Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(F)cccc1Br	ZINC000032109733	556530429	/nfs/dbraw/zinc/53/04/29/556530429.db2.gz	UQURUUMTWQMPPF-SSDVNMTOSA-N	0	1	431.265	5.350	40	30		IKEBMN
CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1OC	ZINC000032115348	556531578	/nfs/dbraw/zinc/53/15/78/556531578.db2.gz	VESKJCRMSJDCDT-SSDVNMTOSA-N	0	1	439.737	5.696	40	30		IKEBMN
COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000016195077	556589877	/nfs/dbraw/zinc/58/98/77/556589877.db2.gz	CECVDZCKHKDGTD-ZSICUCBDSA-N	0	1	447.472	5.118	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000016923191	556649318	/nfs/dbraw/zinc/64/93/18/556649318.db2.gz	VMZNBUPNEJEWDT-NSKAYECMSA-N	0	1	440.393	5.242	40	30		IKEBMN
Cc1ccc2c(c1)N[C@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2	ZINC000017126009	556668858	/nfs/dbraw/zinc/66/88/58/556668858.db2.gz	ZXGVFQHHLQGPAQ-PBSMGWKUSA-N	0	1	448.353	7.064	40	30		IKEBMN
Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2	ZINC000017126005	556668905	/nfs/dbraw/zinc/66/89/05/556668905.db2.gz	ZXGVFQHHLQGPAQ-NBUDSHOTSA-N	0	1	448.353	7.064	40	30		IKEBMN
C=CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Br)c1	ZINC000226344708	556684892	/nfs/dbraw/zinc/68/48/92/556684892.db2.gz	SNWSCWNJGFDEAI-UHFFFAOYSA-N	0	1	426.097	5.642	40	30		IKEBMN
CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000170414907	556692579	/nfs/dbraw/zinc/69/25/79/556692579.db2.gz	FHJJNUQUONLMAD-HSZRJFAPSA-N	0	1	435.564	5.378	40	30		IKEBMN
Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3O)c3ccccc32)c1	ZINC000136040967	556721616	/nfs/dbraw/zinc/72/16/16/556721616.db2.gz	UKVDJUXDOGAWBA-XOBHVICXSA-N	0	1	429.570	5.872	40	30		IKEBMN
N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(O)=C1c1nccs1	ZINC000136407938	556722483	/nfs/dbraw/zinc/72/24/83/556722483.db2.gz	HDAMQXPQWBSUKO-CRDFWNHQSA-N	0	1	433.533	5.703	40	30		IKEBMN
COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1	ZINC000409091403	556792561	/nfs/dbraw/zinc/79/25/61/556792561.db2.gz	TZQKPAFMRMPPNK-LUOAPIJWSA-N	0	1	435.833	5.787	40	30		IKEBMN
C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccccc1	ZINC000409092460	556792839	/nfs/dbraw/zinc/79/28/39/556792839.db2.gz	YQAPZTRKYGVOQM-IPPBACCNSA-N	0	1	441.453	5.863	40	30		IKEBMN
FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1	ZINC000409107234	556798198	/nfs/dbraw/zinc/79/81/98/556798198.db2.gz	RGCJCCDVLFMOCI-YPXUMCKCSA-N	0	1	440.252	6.432	40	30		IKEBMN
C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000002464543	556801739	/nfs/dbraw/zinc/80/17/39/556801739.db2.gz	VMOSPCSOWBEFCJ-YCULYRLHSA-N	0	1	428.532	5.038	40	30		IKEBMN
O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2	ZINC000408852794	556870202	/nfs/dbraw/zinc/87/02/02/556870202.db2.gz	IICMPNWGCQTDEI-ROTLSHHCSA-N	0	1	445.371	6.642	40	30		IKEBMN
COCCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N\c1ccccc1	ZINC000408937370	556896941	/nfs/dbraw/zinc/89/69/41/556896941.db2.gz	QLQLDSSSHJXCAH-NKHYKUCGSA-N	0	1	437.348	5.340	40	30		IKEBMN
CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CC(C)(C)CC2=O	ZINC000409034182	556927565	/nfs/dbraw/zinc/92/75/65/556927565.db2.gz	MRJLLMDHHONXAB-UHFFFAOYSA-N	0	1	448.390	6.014	40	30		IKEBMN
COc1cccc(C=NNc2nc3ccccc3s2)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409081412	556947420	/nfs/dbraw/zinc/94/74/20/556947420.db2.gz	OBVXUIWCVWOSJN-QRVIBDJDSA-N	0	1	434.477	5.238	40	30		IKEBMN
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1O	ZINC000409090262	556951643	/nfs/dbraw/zinc/95/16/43/556951643.db2.gz	LUXDHQRXXABAAS-DDFZXGMKSA-N	0	1	447.398	5.998	40	30		IKEBMN
CC[C@H](C)Oc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC	ZINC000409097673	556953577	/nfs/dbraw/zinc/95/35/77/556953577.db2.gz	NTTNQMHDNOGXFK-OLLYESQCSA-N	0	1	446.267	5.495	40	30		IKEBMN
CCOc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC	ZINC000409098377	556954137	/nfs/dbraw/zinc/95/41/37/556954137.db2.gz	LDZUDKJZXWOKGE-NUGSKGIGSA-N	0	1	432.240	5.106	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N	ZINC000409099850	556954923	/nfs/dbraw/zinc/95/49/23/556954923.db2.gz	LYYWBRPBODMYNY-KVSWJAHQSA-N	0	1	426.398	5.006	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409106718	556959093	/nfs/dbraw/zinc/95/90/93/556959093.db2.gz	TVTYFUXWHFDAHQ-KBKYJPHKSA-N	0	1	446.385	5.042	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000409175206	556985520	/nfs/dbraw/zinc/98/55/20/556985520.db2.gz	XOQMAABEWBBGCY-BRJLIKDPSA-N	0	1	441.318	5.903	40	30		IKEBMN
O=[N+]([O-])c1cc(C=Nc2cccc(Cl)c2)ccc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000409193383	557010105	/nfs/dbraw/zinc/01/01/05/557010105.db2.gz	JQVXHJWBAHENIV-YDZHTSKRSA-N	0	1	435.896	5.935	40	30		IKEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Br)cc1	ZINC000408666434	557093544	/nfs/dbraw/zinc/09/35/44/557093544.db2.gz	USYZEPGTXGWYQX-ZVHZXABRSA-N	0	1	435.325	5.361	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Br)cc1	ZINC000408666434	557093546	/nfs/dbraw/zinc/09/35/46/557093546.db2.gz	USYZEPGTXGWYQX-ZVHZXABRSA-N	0	1	435.325	5.361	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000408662394	557095531	/nfs/dbraw/zinc/09/55/31/557095531.db2.gz	RLMLVMWVGVEBNB-DHRITJCHSA-N	0	1	425.319	5.905	40	30		IKEBMN
CCOC(=O)Cc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)cc1	ZINC000408692006	557102793	/nfs/dbraw/zinc/10/27/93/557102793.db2.gz	BDVIEBZCFIZDBN-WPWMEQJKSA-N	0	1	443.551	5.015	40	30		IKEBMN
CCOC(=O)Cc1ccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4n3CC)c2C)cc1	ZINC000408692006	557102798	/nfs/dbraw/zinc/10/27/98/557102798.db2.gz	BDVIEBZCFIZDBN-WPWMEQJKSA-N	0	1	443.551	5.015	40	30		IKEBMN
CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1	ZINC000408692186	557103098	/nfs/dbraw/zinc/10/30/98/557103098.db2.gz	GRVVEMHOSHGCIL-JVWAILMASA-N	0	1	448.954	6.133	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	ZINC000408692865	557103833	/nfs/dbraw/zinc/10/38/33/557103833.db2.gz	XFNJMWJEBNRRDV-DHRITJCHSA-N	0	1	426.351	6.217	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1	ZINC000408692771	557103894	/nfs/dbraw/zinc/10/38/94/557103894.db2.gz	UZUNZUZVGJMVGZ-VULFUBBASA-N	0	1	439.346	6.388	40	30		IKEBMN
Cc1ccc2c(c1)N[C@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2	ZINC000104214034	557322266	/nfs/dbraw/zinc/32/22/66/557322266.db2.gz	ZXGVFQHHLQGPAQ-WIGBRQBFSA-N	0	1	448.353	7.064	40	30		IKEBMN
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000017101972	557490760	/nfs/dbraw/zinc/49/07/60/557490760.db2.gz	AMIUUJYTQBRGGW-NPMABZOXSA-N	0	1	438.358	6.433	40	30		IKEBMN
Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c(Cl)c1	ZINC000033396490	557808099	/nfs/dbraw/zinc/80/80/99/557808099.db2.gz	HTVOUBMYUBSZKI-MSXFZWOLSA-N	0	1	428.344	6.628	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1C	ZINC000059194501	557818196	/nfs/dbraw/zinc/81/81/96/557818196.db2.gz	JASZAWDKPVWDSQ-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C	ZINC000059194501	557818198	/nfs/dbraw/zinc/81/81/98/557818198.db2.gz	JASZAWDKPVWDSQ-MFKUBSTISA-N	0	1	431.517	5.669	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(Cl)c1	ZINC000059194450	557818247	/nfs/dbraw/zinc/81/82/47/557818247.db2.gz	LQWRUBGRZJBDFS-ZMOGYAJESA-N	0	1	437.908	5.624	40	30		IKEBMN
Clc1ccccc1COc1ccc2ccccc2c1C=NNc1nc2ccccc2s1	ZINC000059386988	557822379	/nfs/dbraw/zinc/82/23/79/557822379.db2.gz	VRRUYNYBJLIOEO-JFLMPSFJSA-N	0	1	443.959	7.128	40	30		IKEBMN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Cl)c1O	ZINC000096640213	557838469	/nfs/dbraw/zinc/83/84/69/557838469.db2.gz	BQKVPNODWHEEJH-IOXNKQMXSA-N	0	1	438.587	5.181	40	30		IKEBMN
BrC(=NNc1ccc(Br)cc1Br)c1ccccc1	ZINC000255004042	569274011	/nfs/dbraw/zinc/27/40/11/569274011.db2.gz	LCAVXBLQYLZLDG-UHFFFAOYSA-N	0	1	432.941	5.380	40	30		IKEBMN
COc1ccc2[nH]c(CN3CCC(c4csc(Nc5cc(C#N)ccn5)n4)CC3)cc2c1	ZINC000585295336	568632190	/nfs/dbraw/zinc/63/21/90/568632190.db2.gz	VSHTUYGJXHFQAS-UHFFFAOYSA-N	0	1	444.564	5.023	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1	ZINC000033533462	569261777	/nfs/dbraw/zinc/26/17/77/569261777.db2.gz	QQKAWCBLQQWTDL-JGOBEUKDSA-N	0	1	426.542	5.065	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1	ZINC000038180006	569262102	/nfs/dbraw/zinc/26/21/02/569262102.db2.gz	MHYBWYHRROVXPX-HWDKICEFSA-N	0	1	439.342	7.771	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1C	ZINC000107607202	569262243	/nfs/dbraw/zinc/26/22/43/569262243.db2.gz	WHDRFNUQYCELMY-LOLYAUBJSA-N	0	1	427.982	5.930	40	30		IKEBMN
COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O	ZINC000003140570	569440870	/nfs/dbraw/zinc/44/08/70/569440870.db2.gz	YXDGRDFYLGMKFA-FOKLQQMPSA-N	0	1	439.265	5.428	40	30		IKEBMN
N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)s1	ZINC000585294701	569583042	/nfs/dbraw/zinc/58/30/42/569583042.db2.gz	UGBDLTHGKSERSU-JOCHJYFZSA-N	0	1	445.592	5.812	40	30		IKEBMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)Oc1ccccc1)c1ccnc2ccc(OC)cc21	ZINC000095871229	123396411	/nfs/dbraw/zinc/39/64/11/123396411.db2.gz	QYPJZCMPIALCAQ-KBFVSZBXSA-N	0	1	444.531	5.397	40	30		IKEBMN
Brc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000012464513	518217732	/nfs/dbraw/zinc/21/77/32/518217732.db2.gz	WCKHDOFNDAMKOH-ONUIUJJFSA-N	0	1	432.365	5.171	40	30		IKEBMN
C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(Oc2ccccc2)c1	ZINC000012464644	518381207	/nfs/dbraw/zinc/38/12/07/518381207.db2.gz	ULCLEKMRWRWIDI-VAMRJTSQSA-N	0	1	445.566	6.200	40	30		IKEBMN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1	ZINC000020462752	519300874	/nfs/dbraw/zinc/30/08/74/519300874.db2.gz	OTZLGHULPFHRHI-AWRGLXIESA-N	0	1	426.560	6.078	40	30	biogenic,in-vitro	IKEBMN
Cc1ccc(S(=O)(=O)ON=C2C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C2)cc1	ZINC000073336585	525623934	/nfs/dbraw/zinc/62/39/34/525623934.db2.gz	MTAKRODIHJFYMH-DQEYMECFSA-N	0	1	434.561	5.265	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1/C=N\c1ccc(Br)cc1	ZINC000012428965	526323725	/nfs/dbraw/zinc/32/37/25/526323725.db2.gz	CVXMCWODKNBQFO-IDUWFGFVSA-N	0	1	433.925	5.430	40	30		IKEBMN
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1	ZINC000003059692	526325050	/nfs/dbraw/zinc/32/50/50/526325050.db2.gz	FHGVWDMNDIAYQP-FOKLQQMPSA-N	0	1	427.685	6.367	40	30		IKEBMN
Cn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Br)cc2)c1	ZINC000408658429	556035771	/nfs/dbraw/zinc/03/57/71/556035771.db2.gz	OCEGAFFFCDIJFR-ZVHZXABRSA-N	0	1	435.325	5.361	40	30		IKEBMN
CC(C)(C)C(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C(=O)CC(=O)C(C)(C)C	ZINC000005544622	556058365	/nfs/dbraw/zinc/05/83/65/556058365.db2.gz	NFTNSKMJKCHGQV-SVJWQLCWSA-N	0	1	432.564	5.585	40	30		IKEBMN
CC(C)(C)C(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C(=O)C=C(O)C(C)(C)C	ZINC000005544622	556058367	/nfs/dbraw/zinc/05/83/67/556058367.db2.gz	NFTNSKMJKCHGQV-SVJWQLCWSA-N	0	1	432.564	5.585	40	30		IKEBMN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000039921291	556438036	/nfs/dbraw/zinc/43/80/36/556438036.db2.gz	GSQAAKAOMJBFDI-XMMPIXPASA-N	0	1	446.528	6.757	40	30		IKEBMN
CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccccc1	ZINC000408859470	556452774	/nfs/dbraw/zinc/45/27/74/556452774.db2.gz	XVIDUEJYRQFNFV-OYKKKHCWSA-N	0	1	426.314	5.268	40	30		IKEBMN
Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)c(C)c1	ZINC000408909610	556496601	/nfs/dbraw/zinc/49/66/01/556496601.db2.gz	HLUGMEUCCGRBHJ-UUYOSTAYSA-N	0	1	427.302	5.519	40	30		IKEBMN
CCOCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccccc1	ZINC000408929469	556523245	/nfs/dbraw/zinc/52/32/45/556523245.db2.gz	JWSMEPBLLXPHOT-RVIYGNEXSA-N	0	1	437.348	5.340	40	30		IKEBMN
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1	ZINC000031854271	556527242	/nfs/dbraw/zinc/52/72/42/556527242.db2.gz	MYPIDUAGIKJSKG-AWQFTUOYSA-N	0	1	440.135	5.262	40	30		IKEBMN
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br	ZINC000408945943	556546239	/nfs/dbraw/zinc/54/62/39/556546239.db2.gz	XSLBOQDZPZXFRQ-SKKTVYBZSA-N	0	1	445.360	6.732	40	30		IKEBMN
COC(=O)c1ccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1	ZINC000016194225	556589601	/nfs/dbraw/zinc/58/96/01/556589601.db2.gz	ZLTJOFHBQOAPIS-DICXZTSXSA-N	0	1	438.439	5.998	40	30		IKEBMN
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O	ZINC000016269549	556596352	/nfs/dbraw/zinc/59/63/52/556596352.db2.gz	MSCKFXVKMYTNCZ-YSURURNPSA-N	0	1	425.803	5.960	40	30		IKEBMN
Oc1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1	ZINC000016525146	556614073	/nfs/dbraw/zinc/61/40/73/556614073.db2.gz	ARYPXBNQBZDURK-FOKLQQMPSA-N	0	1	426.701	6.102	40	30		IKEBMN
Clc1ccc(Cc2[nH]c3ccccc3c2C=NN=c2[nH]c3ccccc3[nH]2)c(Cl)c1	ZINC000408974640	556615656	/nfs/dbraw/zinc/61/56/56/556615656.db2.gz	FUIUNXSLLIRCDI-LGJNPRDNSA-N	0	1	434.330	6.388	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O	ZINC000016688206	556626032	/nfs/dbraw/zinc/62/60/32/556626032.db2.gz	HNQIUOQPDDNNDU-WYMPLXKRSA-N	0	1	436.855	5.646	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000409007717	556713893	/nfs/dbraw/zinc/71/38/93/556713893.db2.gz	QMRUAKLBAMXTRB-AFUMVMLFSA-N	0	1	446.532	5.077	40	30		IKEBMN
COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000409007717	556713896	/nfs/dbraw/zinc/71/38/96/556713896.db2.gz	QMRUAKLBAMXTRB-AFUMVMLFSA-N	0	1	446.532	5.077	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C	ZINC000409008578	556714120	/nfs/dbraw/zinc/71/41/20/556714120.db2.gz	YDVLLMBEAPXBHO-QFEZKATASA-N	0	1	446.532	5.077	40	30		IKEBMN
COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C	ZINC000409008578	556714123	/nfs/dbraw/zinc/71/41/23/556714123.db2.gz	YDVLLMBEAPXBHO-QFEZKATASA-N	0	1	446.532	5.077	40	30		IKEBMN
CCOc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	ZINC000409066762	556769801	/nfs/dbraw/zinc/76/98/01/556769801.db2.gz	PLIHUZVVFHTSHM-AUEPDCJTSA-N	0	1	431.798	5.510	40	30		IKEBMN
CC[C@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	ZINC000409096555	556794832	/nfs/dbraw/zinc/79/48/32/556794832.db2.gz	KLYACAHTXUJZEJ-QPDIMOPTSA-N	0	1	445.825	5.899	40	30		IKEBMN
CC[C@@H](C)Oc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC	ZINC000409097674	556795128	/nfs/dbraw/zinc/79/51/28/556795128.db2.gz	NTTNQMHDNOGXFK-PTGPUUDJSA-N	0	1	446.267	5.495	40	30		IKEBMN
COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1	ZINC000409098579	556795641	/nfs/dbraw/zinc/79/56/41/556795641.db2.gz	QSMKOMCXTCRHBN-IPBVOBEMSA-N	0	1	449.860	6.096	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1	ZINC000409102762	556796179	/nfs/dbraw/zinc/79/61/79/556796179.db2.gz	UAQBRZAGVZUQCD-KVSWJAHQSA-N	0	1	449.860	6.178	40	30		IKEBMN
C#CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC	ZINC000409106087	556797332	/nfs/dbraw/zinc/79/73/32/556797332.db2.gz	LZDIHJBDYXRSJG-BHGWPJFGSA-N	0	1	441.793	5.124	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409105055	556798061	/nfs/dbraw/zinc/79/80/61/556798061.db2.gz	IFWCMLRTWBIPFY-KBKYJPHKSA-N	0	1	446.385	5.042	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O	ZINC000008935080	556852780	/nfs/dbraw/zinc/85/27/80/556852780.db2.gz	MSVZVFYBFZUNLH-DHRITJCHSA-N	0	1	431.448	5.875	40	30		IKEBMN
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br	ZINC000408945934	556897443	/nfs/dbraw/zinc/89/74/43/556897443.db2.gz	XSLBOQDZPZXFRQ-BGXAXVOZSA-N	0	1	445.360	6.732	40	30		IKEBMN
Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)S2)cc1	ZINC000408963292	556901746	/nfs/dbraw/zinc/90/17/46/556901746.db2.gz	BIDPIOHJSOAQND-XDHOZWIPSA-N	0	1	446.557	5.816	40	30		IKEBMN
CC(C)c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1	ZINC000409096721	556953236	/nfs/dbraw/zinc/95/32/36/556953236.db2.gz	KKFQXXINAQBPIG-DJKKODMXSA-N	0	1	444.110	5.633	40	30		IKEBMN
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C	ZINC000409096851	556953228	/nfs/dbraw/zinc/95/32/28/556953228.db2.gz	KVBWXUMFRNAENU-PGGKNCGUSA-N	0	1	446.267	5.495	40	30		IKEBMN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000409101738	556956065	/nfs/dbraw/zinc/95/60/65/556956065.db2.gz	QXPTYLJKFWISGL-AUEPDCJTSA-N	0	1	447.398	5.680	40	30		IKEBMN
O=[N+]([O-])c1cc(C=Nc2ccc(Cl)cc2)ccc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000409194987	556993627	/nfs/dbraw/zinc/99/36/27/556993627.db2.gz	RUJILCFIKDYCRT-YDZHTSKRSA-N	0	1	435.896	5.935	40	30		IKEBMN
CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1	ZINC000408659100	557095061	/nfs/dbraw/zinc/09/50/61/557095061.db2.gz	OTCTZUOILBUQLZ-CVKSISIWSA-N	0	1	434.927	5.650	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000408692250	557103165	/nfs/dbraw/zinc/10/31/65/557103165.db2.gz	ILLHXHGJNPXAOU-VULFUBBASA-N	0	1	439.346	6.388	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2cccc3ccccc32)c2ccccc12	ZINC000408692874	557103722	/nfs/dbraw/zinc/10/37/22/557103722.db2.gz	XIUJTHUBAHBLOD-UXHLAJHPSA-N	0	1	443.554	6.658	40	30		IKEBMN
CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Br)cc1	ZINC000408692873	557103884	/nfs/dbraw/zinc/10/38/84/557103884.db2.gz	XHVMBHVXMZTHAF-MFKUBSTISA-N	0	1	449.352	5.844	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Br)cc1	ZINC000408692873	557103888	/nfs/dbraw/zinc/10/38/88/557103888.db2.gz	XHVMBHVXMZTHAF-MFKUBSTISA-N	0	1	449.352	5.844	40	30		IKEBMN
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1	ZINC000003139415	557115772	/nfs/dbraw/zinc/11/57/72/557115772.db2.gz	ZZUDPWAVPADLNF-DHRITJCHSA-N	0	1	441.468	6.187	40	30		IKEBMN
O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\c2ccccc2)N1C1CCCCC1	ZINC000408726427	557137324	/nfs/dbraw/zinc/13/73/24/557137324.db2.gz	NQTDPDHNUJGPRZ-TVNBHEQGSA-N	0	1	447.387	6.636	40	30		IKEBMN
COc1ccc(N=C(Nc2ccc(I)cc2)c2ccccc2)cc1	ZINC000016216891	557153715	/nfs/dbraw/zinc/15/37/15/557153715.db2.gz	HJQZDVJAVFNKDN-UHFFFAOYSA-N	0	1	428.273	5.490	40	30		IKEBMN
O=C(C1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100115646	557240940	/nfs/dbraw/zinc/24/09/40/557240940.db2.gz	ZSCSEYRTJFTOQR-RXMQYKEDSA-N	0	1	444.187	5.054	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Br)cc1	ZINC000100442310	557261378	/nfs/dbraw/zinc/26/13/78/557261378.db2.gz	CVXMCWODKNBQFO-REZTVBANSA-N	0	1	433.925	5.430	40	30		IKEBMN
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1	ZINC000101573468	557294128	/nfs/dbraw/zinc/29/41/28/557294128.db2.gz	RTQUVIKQMWQVQF-UOODYVSWSA-N	0	1	435.936	5.505	40	30		IKEBMN
Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1	ZINC000102896297	557309403	/nfs/dbraw/zinc/30/94/03/557309403.db2.gz	ORXNONNFHLAHLN-KZSQTELISA-N	0	1	439.471	5.583	40	30		IKEBMN
C=C([NH+]=C1C=CC(=NNc2ccccc2)C(C)=C1C)c1c([O-])c2ccccc2n(CC)c1=O	ZINC000103462022	557315714	/nfs/dbraw/zinc/31/57/14/557315714.db2.gz	GEZLFVYKPYVREM-DOJSKZQGSA-N	0	1	438.531	6.900	40	30		IKEBMN
O=C1C=C(Cl)C2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43	ZINC000103693174	557318031	/nfs/dbraw/zinc/31/80/31/557318031.db2.gz	DKTMGOWAHFWZTD-IPQOISQHSA-N	0	1	428.702	5.998	40	30		IKEBMN
Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c1)c1cccn1-2	ZINC000104214039	557322204	/nfs/dbraw/zinc/32/22/04/557322204.db2.gz	ZXGVFQHHLQGPAQ-VLQKAMOESA-N	0	1	448.353	7.064	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1NCc1ccccc1	ZINC000104213856	557322240	/nfs/dbraw/zinc/32/22/40/557322240.db2.gz	LJFCTAIRZSFJMR-KVSWJAHQSA-N	0	1	439.264	7.081	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)cc3)nc2c1	ZINC000017096464	557476650	/nfs/dbraw/zinc/47/66/50/557476650.db2.gz	HGFJBZOXMMGFNC-IXORVSQSSA-N	0	1	429.476	6.681	40	30		IKEBMN
CCN1c2cc(C)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C	ZINC000223572400	557487767	/nfs/dbraw/zinc/48/77/67/557487767.db2.gz	BRPFAJXIVMIAOT-LUILSVGHSA-N	0	1	425.489	5.370	40	30		IKEBMN
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1	ZINC000017103136	557491962	/nfs/dbraw/zinc/49/19/62/557491962.db2.gz	KHHZDOALFTVXOL-ZKJHFGPLSA-N	0	1	439.342	7.771	40	30		IKEBMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000020228642	557518199	/nfs/dbraw/zinc/51/81/99/557518199.db2.gz	MAFIBKQOCLKYDH-YDZHTSKRSA-N	0	1	434.477	5.238	40	30		IKEBMN
COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000020228642	557518201	/nfs/dbraw/zinc/51/82/01/557518201.db2.gz	MAFIBKQOCLKYDH-YDZHTSKRSA-N	0	1	434.477	5.238	40	30		IKEBMN
CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1	ZINC000059194455	557818290	/nfs/dbraw/zinc/81/82/90/557818290.db2.gz	AYDOEDYCJWLNIF-WGOQTCKBSA-N	0	1	429.545	6.259	40	30		IKEBMN
CC(C)(C)c1ccc(C(=O)Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1	ZINC000059194455	557818293	/nfs/dbraw/zinc/81/82/93/557818293.db2.gz	AYDOEDYCJWLNIF-WGOQTCKBSA-N	0	1	429.545	6.259	40	30		IKEBMN
Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1Cl	ZINC000059194507	557818297	/nfs/dbraw/zinc/81/82/97/557818297.db2.gz	RFVDXASQPCUYEK-WYMPLXKRSA-N	0	1	428.344	6.628	40	30		IKEBMN
Clc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1Cl	ZINC000059194507	557818300	/nfs/dbraw/zinc/81/83/00/557818300.db2.gz	RFVDXASQPCUYEK-WYMPLXKRSA-N	0	1	428.344	6.628	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1	ZINC000059459250	557821132	/nfs/dbraw/zinc/82/11/32/557821132.db2.gz	CSJZAHFCBSKOJE-LUOAPIJWSA-N	0	1	440.248	7.047	40	30		IKEBMN
Clc1ccc(COc2ccc3ccccc3c2C=NNc2nc3ccccc3[nH]2)cc1	ZINC000059417076	557822745	/nfs/dbraw/zinc/82/27/45/557822745.db2.gz	FWTDAAQQISERSB-JFLMPSFJSA-N	0	1	426.907	6.395	40	30		IKEBMN
Oc1c(Cl)cccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1	ZINC000059475473	557824853	/nfs/dbraw/zinc/82/48/53/557824853.db2.gz	ZLZZVSPDBXVBGH-IOXBOXJCSA-N	0	1	429.719	6.094	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000059483116	557825092	/nfs/dbraw/zinc/82/50/92/557825092.db2.gz	AKCBLWWUFCPPPD-RPPGKUMJSA-N	0	1	442.733	6.956	40	30		IKEBMN
O=[N+]([O-])c1ccc(Oc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c([N+](=O)[O-])c1	ZINC000059514294	557826837	/nfs/dbraw/zinc/82/68/37/557826837.db2.gz	HDCJWEHABPPKOL-CIAFOILYSA-N	0	1	435.421	5.351	40	30		IKEBMN
Cc1c2ccccc2[nH]c1CN1CCCC[C@@H]1c1cc(Nc2ccc(C#N)nc2)nc(C)n1	ZINC000585295086	568633011	/nfs/dbraw/zinc/63/30/11/568633011.db2.gz	ZPNHYEPCIOGBQE-RUZDIDTESA-N	0	1	437.551	5.312	40	30		IKEBMN
CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12	ZINC000033712143	569261851	/nfs/dbraw/zinc/26/18/51/569261851.db2.gz	GVTYRXPFNWUZFB-OBDXBSDPSA-N	0	1	437.590	5.850	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1cccc(C)c1	ZINC000035132548	569262009	/nfs/dbraw/zinc/26/20/09/569262009.db2.gz	XONUIYXPPCBQFA-FJNOFKGGSA-N	0	1	443.597	6.181	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)SC2=N)s1	ZINC000034878054	569262012	/nfs/dbraw/zinc/26/20/12/569262012.db2.gz	WTAFIAOERBNUDQ-VKGFHSIMSA-N	0	1	442.997	5.579	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(C)c1	ZINC000034718168	569262021	/nfs/dbraw/zinc/26/20/21/569262021.db2.gz	RPSVBMORLRTSLT-XYJKTABCSA-N	0	1	436.558	5.457	40	30		IKEBMN
O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1	ZINC000038162569	569262135	/nfs/dbraw/zinc/26/21/35/569262135.db2.gz	KJSNIGFXBLTMMU-KIBLKLHPSA-N	0	1	445.689	5.904	40	30		IKEBMN
COc1cc(COc2ccc(Br)cc2/C=N\O)ccc1OCc1ccccc1	ZINC000107842128	569262366	/nfs/dbraw/zinc/26/23/66/569262366.db2.gz	JQACGPSHFLNPGY-CFRMEGHHSA-N	0	1	442.309	5.424	40	30		IKEBMN
N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(O)=C1c1nccs1	ZINC000108087397	569262388	/nfs/dbraw/zinc/26/23/88/569262388.db2.gz	PRUIOZILTKEDFV-PLXYEHFVSA-N	0	1	442.565	6.293	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(F)c1	ZINC000107735066	569262396	/nfs/dbraw/zinc/26/23/96/569262396.db2.gz	FTPXLSCKJZDFHU-OKYLLYMWSA-N	0	1	440.521	5.288	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1	ZINC000107895083	569262409	/nfs/dbraw/zinc/26/24/09/569262409.db2.gz	ITBAVBBDPGOBRV-JXMVDPOESA-N	0	1	444.585	5.521	40	30		IKEBMN
Oc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1Br	ZINC000109502492	569262540	/nfs/dbraw/zinc/26/25/40/569262540.db2.gz	BFHGJTOLMYNKJX-AUEPDCJTSA-N	0	1	443.684	6.073	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1	ZINC000138162137	569262588	/nfs/dbraw/zinc/26/25/88/569262588.db2.gz	IMDSMROLARKMDM-IXPXTECGSA-N	0	1	437.590	5.706	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cs1	ZINC000104188975	518203610	/nfs/dbraw/zinc/20/36/10/518203610.db2.gz	ZSQVWGNKELPHOV-UWVJOHFNSA-N	0	1	438.144	5.791	40	30		IKEBMN
COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1	ZINC000012466371	523176084	/nfs/dbraw/zinc/17/60/84/523176084.db2.gz	PXBFEAZUEIFSCE-MYYYXRDXSA-N	0	1	446.532	5.086	40	30		IKEBMN
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1Sc1ccc(Cl)cc1	ZINC000032116859	527326506	/nfs/dbraw/zinc/32/65/06/527326506.db2.gz	PFOIQZHRODKDDQ-UUYOSTAYSA-N	0	1	440.937	6.455	40	30		IKEBMN
O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1	ZINC000016385806	527364437	/nfs/dbraw/zinc/36/44/37/527364437.db2.gz	IANUQNUGASGKDB-AWQFTUOYSA-N	0	1	447.116	5.291	40	30		IKEBMN
CC1=CC([NH2+]Nc2ccccc2)=C(C([O-])(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1	ZINC000005065304	556030914	/nfs/dbraw/zinc/03/09/14/556030914.db2.gz	PCAIZXFSAQUOMS-JUCPORTRSA-N	0	1	427.269	5.841	40	30		IKEBMN
Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3O)c3ccccc32)c1	ZINC000035352352	556081004	/nfs/dbraw/zinc/08/10/04/556081004.db2.gz	UKVDJUXDOGAWBA-YFPORYOGSA-N	0	1	429.570	5.872	40	30		IKEBMN
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1	ZINC000035352135	556081022	/nfs/dbraw/zinc/08/10/22/556081022.db2.gz	DVFRERMNILFVNZ-MUNQKHPHSA-N	0	1	436.558	5.539	40	30		IKEBMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O	ZINC000016194960	556589488	/nfs/dbraw/zinc/58/94/88/556589488.db2.gz	DFONAAYJLBXDIR-FOKLQQMPSA-N	0	1	439.880	5.990	40	30		IKEBMN
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1O	ZINC000016269533	556596251	/nfs/dbraw/zinc/59/62/51/556596251.db2.gz	MQGLXKZONDACEC-RPPGKUMJSA-N	0	1	443.381	5.631	40	30		IKEBMN
Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1ccccc1	ZINC000016282662	556596737	/nfs/dbraw/zinc/59/67/37/556596737.db2.gz	YNBRIQFDURCBGP-WYMPLXKRSA-N	0	1	443.728	6.119	40	30		IKEBMN
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1cc(F)ccc1O)c1ccccc1	ZINC000018207012	556686858	/nfs/dbraw/zinc/68/68/58/556686858.db2.gz	BRTBFLOXOZZEKE-FOKLQQMPSA-N	0	1	439.295	5.390	40	30		IKEBMN
CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000170414906	556692590	/nfs/dbraw/zinc/69/25/90/556692590.db2.gz	FHJJNUQUONLMAD-QHCPKHFHSA-N	0	1	435.564	5.378	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccc(F)cc1	ZINC000136048286	556721972	/nfs/dbraw/zinc/72/19/72/556721972.db2.gz	QRJBCIDGWWQNKY-YEWWOHFJSA-N	0	1	440.521	5.288	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1	ZINC000136444800	556722659	/nfs/dbraw/zinc/72/26/59/556722659.db2.gz	HMBJRYXRASHMAK-ZQJMEWMBSA-N	0	1	436.606	5.543	40	30		IKEBMN
COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1cccc(C)c1	ZINC000137472247	556724014	/nfs/dbraw/zinc/72/40/14/556724014.db2.gz	RPSVBMORLRTSLT-GQNWJCCQSA-N	0	1	436.558	5.457	40	30		IKEBMN
Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1Cl	ZINC000409074260	556776122	/nfs/dbraw/zinc/77/61/22/556776122.db2.gz	SREAWXVQWPQCSY-WYMPLXKRSA-N	0	1	428.344	6.628	40	30		IKEBMN
FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1	ZINC000409076073	556776914	/nfs/dbraw/zinc/77/69/14/556776914.db2.gz	XKSAINONQQVRMD-YPXUMCKCSA-N	0	1	440.252	6.432	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1	ZINC000409095237	556794286	/nfs/dbraw/zinc/79/42/86/556794286.db2.gz	HCKDSZGWFVMLHV-KVSWJAHQSA-N	0	1	433.405	5.663	40	30		IKEBMN
FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1	ZINC000409096501	556794726	/nfs/dbraw/zinc/79/47/26/556794726.db2.gz	KIXHJYCIOJMATM-YPXUMCKCSA-N	0	1	440.252	6.432	40	30		IKEBMN
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1	ZINC000409105189	556798067	/nfs/dbraw/zinc/79/80/67/556798067.db2.gz	JPXBNAVYSDPBNT-XODNFHPESA-N	0	1	429.442	5.833	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O	ZINC000008935278	556852749	/nfs/dbraw/zinc/85/27/49/556852749.db2.gz	KCEXIVWNDDRQJQ-AFUMVMLFSA-N	0	1	446.463	5.324	40	30		IKEBMN
Oc1c(Br)cc(Br)cc1C=NNc1ccc(C(F)(F)F)cc1	ZINC000408931313	556894767	/nfs/dbraw/zinc/89/47/67/556894767.db2.gz	JWRYBWQKZQKUDY-SCDVKCJHSA-N	0	1	438.041	5.382	40	30		IKEBMN
Cc1nn(-c2cccc3ccccc32)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000408994770	556913291	/nfs/dbraw/zinc/91/32/91/556913291.db2.gz	IXSGSLGMYPNCGW-ZRGSRPPYSA-N	0	1	443.765	7.049	40	30		IKEBMN
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1	ZINC000409094950	556950276	/nfs/dbraw/zinc/95/02/76/556950276.db2.gz	GPQLBSQFJUDSDO-LUOAPIJWSA-N	0	1	435.833	5.787	40	30		IKEBMN
Oc1c(I)cc(Br)cc1/C=N/c1cccc(Cl)c1	ZINC000409101440	556955829	/nfs/dbraw/zinc/95/58/29/556955829.db2.gz	UABFXKYFAQRLTI-REZTVBANSA-N	0	1	436.474	5.163	40	30		IKEBMN
FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1	ZINC000409101880	556956009	/nfs/dbraw/zinc/95/60/09/556956009.db2.gz	ZIMYLYQAAFAREZ-PGGKNCGUSA-N	0	1	444.638	6.222	40	30		IKEBMN
Cc1ccc(/N=C2/SC(Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1	ZINC000409149343	556974375	/nfs/dbraw/zinc/97/43/75/556974375.db2.gz	CAZWPTZKOPMNOL-KXYXFYQNSA-N	0	1	441.556	5.250	40	30		IKEBMN
Cc1ccc(/N=C2/SC(Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1	ZINC000409149342	556974432	/nfs/dbraw/zinc/97/44/32/556974432.db2.gz	CAZWPTZKOPMNOL-HZNCDDNJSA-N	0	1	441.556	5.250	40	30		IKEBMN
C=C1C(C)=C(O)C(=Nc2cccc(C(F)(F)F)c2)C=C1Nc1cccc(C(F)(F)F)c1	ZINC000096835762	556980766	/nfs/dbraw/zinc/98/07/66/556980766.db2.gz	LFZJSFASMKAPFA-MIXAMLLLSA-N	0	1	438.371	6.712	40	30		IKEBMN
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21	ZINC000208247208	557080124	/nfs/dbraw/zinc/08/01/24/557080124.db2.gz	VWVLDCHQXCLOTH-JHAVZTMOSA-N	0	1	431.880	5.324	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000408692022	557102771	/nfs/dbraw/zinc/10/27/71/557102771.db2.gz	BOAZAKFSNKRQGE-LQKURTRISA-N	0	1	441.966	6.467	40	30		IKEBMN
CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccccc1Cl	ZINC000408692278	557103206	/nfs/dbraw/zinc/10/32/06/557103206.db2.gz	JABDSFNNSZORFJ-JVWAILMASA-N	0	1	448.954	6.133	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2C(=O)OC(C)C)c1C	ZINC000408692550	557103841	/nfs/dbraw/zinc/10/38/41/557103841.db2.gz	PAFLZRRAUHCJKH-JVWAILMASA-N	0	1	443.551	5.475	40	30		IKEBMN
CCOC(=O)c1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)cc1	ZINC000408692542	557103860	/nfs/dbraw/zinc/10/38/60/557103860.db2.gz	OWNKFWCVIVXYQM-WGOQTCKBSA-N	0	1	429.524	5.086	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000408692682	557103876	/nfs/dbraw/zinc/10/38/76/557103876.db2.gz	SCRZTOLWQCKRQJ-DHRITJCHSA-N	0	1	426.351	6.217	40	30		IKEBMN
CCOC(=O)c1ccccc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3n2CC)c1C	ZINC000408692815	557103902	/nfs/dbraw/zinc/10/39/02/557103902.db2.gz	WBPRQLOJRFMYDE-WGOQTCKBSA-N	0	1	429.524	5.086	40	30		IKEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C	ZINC000408692963	557104063	/nfs/dbraw/zinc/10/40/63/557104063.db2.gz	ZLBXDNVWJLFZQW-ZMOGYAJESA-N	0	1	436.903	5.471	40	30		IKEBMN
CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000408702968	557120664	/nfs/dbraw/zinc/12/06/64/557120664.db2.gz	WYUVBLOTASZFOR-FQEVSTJZSA-N	0	1	448.346	5.387	40	30		IKEBMN
CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000408702969	557121003	/nfs/dbraw/zinc/12/10/03/557121003.db2.gz	WYUVBLOTASZFOR-HXUWFJFHSA-N	0	1	448.346	5.387	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(Br)cc2)cc1	ZINC000100389851	557259424	/nfs/dbraw/zinc/25/94/24/557259424.db2.gz	XWCSFRGVLNKEAW-HYARGMPZSA-N	0	1	429.339	5.309	40	30		IKEBMN
Cc1ccc(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2CC(=O)c2ccc(C)cc2)cc1	ZINC000102896292	557309413	/nfs/dbraw/zinc/30/94/13/557309413.db2.gz	ORXNONNFHLAHLN-OZEVPFDHSA-N	0	1	439.471	5.583	40	30		IKEBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc(Br)ccc2O)cc1	ZINC000104099748	557320406	/nfs/dbraw/zinc/32/04/06/557320406.db2.gz	ONAQJBBIODTJEW-XKZIYDEJSA-N	0	1	445.338	5.015	40	30		IKEBMN
O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1cc(F)ccc1O)c1ccccc1	ZINC000104116016	557320630	/nfs/dbraw/zinc/32/06/30/557320630.db2.gz	BRTBFLOXOZZEKE-KSEXSDGBSA-N	0	1	439.295	5.390	40	30		IKEBMN
N#Cc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1C#N	ZINC000000844116	557402340	/nfs/dbraw/zinc/40/23/40/557402340.db2.gz	WSPWEOHQQSZEMX-UHFFFAOYSA-N	0	1	425.289	5.917	40	30		IKEBMN
Cc1c(C=NNc2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1Cl	ZINC000014408462	557444026	/nfs/dbraw/zinc/44/40/26/557444026.db2.gz	WQFHOQRDZAPCKI-VULFUBBASA-N	0	1	430.964	6.707	40	30		IKEBMN
Clc1cccc(COc2ccc(Cl)cc2C=NNc2nc3ccccc3s2)c1	ZINC000014408406	557444150	/nfs/dbraw/zinc/44/41/50/557444150.db2.gz	QDKIBTLKTFCUNR-WYMPLXKRSA-N	0	1	428.344	6.628	40	30		IKEBMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Cl)cc1	ZINC000015931473	557466955	/nfs/dbraw/zinc/46/69/55/557466955.db2.gz	IUHIZDWNXGMFNF-AFUMVMLFSA-N	0	1	437.952	6.373	40	30		IKEBMN
CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1	ZINC000015931473	557466959	/nfs/dbraw/zinc/46/69/59/557466959.db2.gz	IUHIZDWNXGMFNF-AFUMVMLFSA-N	0	1	437.952	6.373	40	30		IKEBMN
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000017101970	557490731	/nfs/dbraw/zinc/49/07/31/557490731.db2.gz	AMIUUJYTQBRGGW-JCQPUDPBSA-N	0	1	438.358	6.433	40	30		IKEBMN
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)nc2c1	ZINC000017103134	557492034	/nfs/dbraw/zinc/49/20/34/557492034.db2.gz	KHHZDOALFTVXOL-HWDKICEFSA-N	0	1	439.342	7.771	40	30		IKEBMN
Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1	ZINC000059484239	557825293	/nfs/dbraw/zinc/82/52/93/557825293.db2.gz	AEWCZIQRHXWGLF-DHRITJCHSA-N	0	1	440.355	6.936	40	30		IKEBMN
Oc1c(Br)cc(I)cc1/C=N/c1ccc(Cl)cc1	ZINC000032121267	568866223	/nfs/dbraw/zinc/86/62/23/568866223.db2.gz	LQVFCGXDCNZIAQ-REZTVBANSA-N	0	1	436.474	5.163	40	30		IKEBMN
CCCCCCCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000097980696	568899788	/nfs/dbraw/zinc/89/97/88/568899788.db2.gz	WWKIKNAEGWPEJA-MFKUBSTISA-N	0	1	427.803	7.832	40	30		IKEBMN
CCOc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1	ZINC000057622567	569249530	/nfs/dbraw/zinc/24/95/30/569249530.db2.gz	SBXVKUKNWLNMAT-PCLIKHOPSA-N	0	1	430.533	5.468	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(Cl)c1	ZINC000033768303	569261847	/nfs/dbraw/zinc/26/18/47/569261847.db2.gz	PJEDWEMBGXMQMM-XTFHTREESA-N	0	1	427.982	5.930	40	30		IKEBMN
CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000105606098	569262250	/nfs/dbraw/zinc/26/22/50/569262250.db2.gz	PHQZRCYWTBDRKQ-PYCFMQQDSA-N	0	1	436.577	5.257	40	30		IKEBMN
CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1	ZINC000107543392	569262261	/nfs/dbraw/zinc/26/22/61/569262261.db2.gz	FQQPVXOSDRGSML-PYXFXZIOSA-N	0	1	436.606	5.543	40	30		IKEBMN
O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)cc(Cl)c1O)CCCC2	ZINC000106775942	569262285	/nfs/dbraw/zinc/26/22/85/569262285.db2.gz	UDXGDKWDIJDQJR-MRUKODCESA-N	0	1	449.359	5.913	40	30		IKEBMN
COc1cccc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O	ZINC000109502584	569262551	/nfs/dbraw/zinc/26/25/51/569262551.db2.gz	QZPAZLBFBUDUMA-FOKLQQMPSA-N	0	1	439.265	5.428	40	30		IKEBMN
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1C	ZINC000137888762	569262600	/nfs/dbraw/zinc/26/26/00/569262600.db2.gz	WHDRFNUQYCELMY-HOMFIKRPSA-N	0	1	427.982	5.930	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccccc1	ZINC000137831598	569262613	/nfs/dbraw/zinc/26/26/13/569262613.db2.gz	MEKVIHQEISFVFX-ZVSSNCFVSA-N	0	1	429.570	5.872	40	30		IKEBMN
Cc1c(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc2n1Cc1ccc(F)cc1	ZINC000137811265	569262626	/nfs/dbraw/zinc/26/26/26/569262626.db2.gz	YJSFJYWCIIBBIS-ZDYYVWHCSA-N	0	1	447.560	6.011	40	30		IKEBMN
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O	ZINC000003035785	569437941	/nfs/dbraw/zinc/43/79/41/569437941.db2.gz	VQXHLYXACXISBL-ZMOGYAJESA-N	0	1	433.489	6.035	40	30		IKEBMN