smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000000852800	551549841	/nfs/dbraw/zinc/54/98/41/551549841.db2.gz	VVOCDBYOECBYEN-XKZIYDEJSA-N	-1	0	502.324	4.566	40	30		KJEBRM
COC(=O)[C@H](C(=O)C(=O)[N-]c1n[nH]c(=S)[nH]1)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1	ZINC000001629329	551686785	/nfs/dbraw/zinc/68/67/85/551686785.db2.gz	VEKOERAWPIQDHH-IBGZPJMESA-N	-1	0	545.606	4.557	40	30		KJEBRM
Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000001650964	551687806	/nfs/dbraw/zinc/68/78/06/551687806.db2.gz	YIDCWFZNWLFIML-UHFFFAOYSA-N	-1	0	500.967	4.820	40	30		KJEBRM
Cn1cnnc1Sc1ccc(C=Nn2c(Cc3cccc4ccccc43)n[n-]c2=S)cc1[N+](=O)[O-]	ZINC000002630387	552139663	/nfs/dbraw/zinc/13/96/63/552139663.db2.gz	KKWOMSPGTVCMPG-DHRITJCHSA-N	-1	0	502.585	4.755	40	30		KJEBRM
O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S/C1=C\c1cc(Br)c([O-])c(Br)c1O	ZINC000003085101	552286132	/nfs/dbraw/zinc/28/61/32/552286132.db2.gz	OCMLWNPXOPVKHE-ALUZDZMUSA-N	-1	0	531.613	4.870	40	30		KJEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)N=C2c3ccccc3CN2c2ccc(I)cc2)cc1	ZINC000003189600	552301875	/nfs/dbraw/zinc/30/18/75/552301875.db2.gz	VFPHVEQFLUPEFN-DARPEHSRSA-N	-1	0	531.375	4.669	40	30		KJEBRM
C/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000003229220	552314822	/nfs/dbraw/zinc/31/48/22/552314822.db2.gz	PGWJSAHYGASUTR-SBZODFPESA-N	-1	0	527.238	4.877	40	30		KJEBRM
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000003840835	1067207565	/nfs/dbraw/zinc/20/75/65/1067207565.db2.gz	SZJVBPRPFPMLOG-BTBORRGXSA-N	-1	0	531.744	4.586	40	30	biogenic,in-vitro	KJEBRM
C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000003840837	1067207508	/nfs/dbraw/zinc/20/75/08/1067207508.db2.gz	SZJVBPRPFPMLOG-UTGMFCSKSA-N	-1	0	531.744	4.586	40	30	biogenic,in-vitro	KJEBRM
C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc([N-]S(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000004150001	291857665	/nfs/dbraw/zinc/85/76/65/291857665.db2.gz	GLUTZSRWCGDBCD-DIQCSEBBSA-N	-1	0	552.162	4.931	40	30	biogenic,in-vitro	KJEBRM
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc([N-]S(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000004150003	291857669	/nfs/dbraw/zinc/85/76/69/291857669.db2.gz	GLUTZSRWCGDBCD-QXLMHGPXSA-N	-1	0	552.162	4.931	40	30	biogenic,in-vitro	KJEBRM
CCNc1ccc(/C(c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])=C2/C=C/C(=[NH+]\CC)C(C)=C2)cc1C	ZINC000004523204	552462876	/nfs/dbraw/zinc/46/28/76/552462876.db2.gz	UZZRJWHLVOAXAU-JJTIXYPQSA-N	-1	0	516.641	4.699	40	30		KJEBRM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccccc4)N(c4ccccc4)C3=O)cc2)cc1	ZINC000005385081	552500373	/nfs/dbraw/zinc/50/03/73/552500373.db2.gz	UKRCIQFKHJLGIT-QNKGDIEWSA-N	-1	0	596.665	4.906	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2c3ccccc3N(CCC(C)C)C2=O)cc1	ZINC000005940127	552513418	/nfs/dbraw/zinc/51/34/18/552513418.db2.gz	GZUMQAYUOYXOLO-AZPGRJICSA-N	-1	0	537.598	4.613	40	30		KJEBRM
O=S(=O)([N-]c1ncccn1)c1ccc(-c2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)o2)cc1	ZINC000006093385	552533809	/nfs/dbraw/zinc/53/38/09/552533809.db2.gz	XGTSYFYOMLFFLT-VULFUBBASA-N	-1	0	513.004	4.511	40	30		KJEBRM
O=S(=O)([N-]c1ncccn1)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3C(F)(F)F)o2)cc1	ZINC000006142011	552543316	/nfs/dbraw/zinc/54/33/16/552543316.db2.gz	GGPVZJRZYFBOKM-IPPBACCNSA-N	-1	0	546.556	4.877	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)/N=C2/N=C3C=CC(Cl)=CN3Cc3ccccc32)c1	ZINC000006250856	552575500	/nfs/dbraw/zinc/57/55/00/552575500.db2.gz	VRJTWAQLABGQQW-URGPHPNLSA-N	-1	0	533.009	4.947	40	30		KJEBRM
COCOc1ccc(/C=C/C(=O)c2c([O-])c(CC=C(C)C)c(OCOC)cc2OCOC)cc1OCOC	ZINC000008382403	291867936	/nfs/dbraw/zinc/86/79/36/291867936.db2.gz	HLKSAHAYZQZOGS-DHZHZOJOSA-N	-1	0	532.586	4.728	40	30	biogenic,in-vitro	KJEBRM
Cc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3O)nc(N3CCOCC3)n2)c(Br)c1	ZINC000008386416	552992054	/nfs/dbraw/zinc/99/20/54/552992054.db2.gz	MJPPSSMPCDHQOQ-KIBLKLHPSA-N	-1	0	658.149	4.905	40	30		KJEBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc5c4C(=O)c4ccccc4C5=O)c3=O)n2)cc1	ZINC000008425661	553016235	/nfs/dbraw/zinc/01/62/35/553016235.db2.gz	JKBHPOPHOYSHAL-QFMPWRQOSA-N	-1	0	521.558	4.785	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000008452000	553062684	/nfs/dbraw/zinc/06/26/84/553062684.db2.gz	ILZAURQAKJXNEM-XNJQSHTLSA-N	-1	0	552.390	4.777	40	30		KJEBRM
COc1ccc(CN(C(=O)/C=C/C(=O)c2ccc(OC)cc2[O-])[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1	ZINC000008685426	553114237	/nfs/dbraw/zinc/11/42/37/553114237.db2.gz	RTNHQCCUAKNUEN-ZZIBJAJQSA-N	-1	0	557.647	4.762	40	30		KJEBRM
COc1ccc(CN(C(=O)/C=C/C(=O)c2ccc(OC)cc2[O-])[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1	ZINC000008685427	553114249	/nfs/dbraw/zinc/11/42/49/553114249.db2.gz	RTNHQCCUAKNUEN-BKYDLOHYSA-N	-1	0	557.647	4.762	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685429	553114199	/nfs/dbraw/zinc/11/41/99/553114199.db2.gz	RMTUZPCGMLLXJI-QGEMAQJBSA-N	-1	0	545.611	4.893	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685431	553114228	/nfs/dbraw/zinc/11/42/28/553114228.db2.gz	RMTUZPCGMLLXJI-KRTVLASXSA-N	-1	0	545.611	4.893	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccccc2OC)[C@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685432	553114232	/nfs/dbraw/zinc/11/42/32/553114232.db2.gz	CFOQKHUSIQUQIT-ZZIBJAJQSA-N	-1	0	557.647	4.762	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccccc2OC)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685433	553114180	/nfs/dbraw/zinc/11/41/80/553114180.db2.gz	CFOQKHUSIQUQIT-BKYDLOHYSA-N	-1	0	557.647	4.762	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685435	553114194	/nfs/dbraw/zinc/11/41/94/553114194.db2.gz	JKAGSVJDSVXETN-GLKAZLEZSA-N	-1	0	527.621	4.754	40	30		KJEBRM
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c([O-])c1	ZINC000008685437	553114172	/nfs/dbraw/zinc/11/41/72/553114172.db2.gz	JKAGSVJDSVXETN-AJJDXVGUSA-N	-1	0	527.621	4.754	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000008686773	553115870	/nfs/dbraw/zinc/11/58/70/553115870.db2.gz	LIWXNSHQIJJJEM-MTDXEUNCSA-N	-1	0	594.675	4.810	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc([N-][NH+]=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)c([N+](=O)[O-])c1	ZINC000008686804	553115804	/nfs/dbraw/zinc/11/58/04/553115804.db2.gz	ODHSVNRBECEHHV-VUTHCHCSSA-N	-1	0	575.651	4.945	40	30		KJEBRM
C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C(=O)OCC)cc4)C3=O)o2)ccc1Cl	ZINC000008780877	553144207	/nfs/dbraw/zinc/14/42/07/553144207.db2.gz	YOTDFAXSEVNWMO-QNGOZBTKSA-N	-1	0	520.925	4.581	40	30		KJEBRM
CSCC[C@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000009033618	553201717	/nfs/dbraw/zinc/20/17/17/553201717.db2.gz	HDTPISZMYXBJDM-KBIYVQMNSA-N	-1	0	519.704	4.533	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000009056462	553204428	/nfs/dbraw/zinc/20/44/28/553204428.db2.gz	ZDNSNBQVMFJRPB-WSDLNYQXSA-N	-1	0	502.324	4.566	40	30		KJEBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000009259604	553227959	/nfs/dbraw/zinc/22/79/59/553227959.db2.gz	AXEIJLZNTAOBKG-MTJSOVHGSA-N	-1	0	507.974	4.984	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1Br	ZINC000009259606	553227980	/nfs/dbraw/zinc/22/79/80/553227980.db2.gz	PINMLCRWBOOMLB-NDENLUEZSA-N	-1	0	508.372	4.694	40	30		KJEBRM
CC(=O)N(C)c1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1	ZINC000012275725	553356182	/nfs/dbraw/zinc/35/61/82/553356182.db2.gz	RDTGNXAAOKZIJL-QOMWVZHYSA-N	-1	0	511.405	4.746	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2OC(F)F)cc1	ZINC000012311573	553357544	/nfs/dbraw/zinc/35/75/44/553357544.db2.gz	KZRJIBNRODGBMK-AFUMVMLFSA-N	-1	0	506.487	4.842	40	30		KJEBRM
CCCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(C)cc2C)C1=O	ZINC000012311871	553357873	/nfs/dbraw/zinc/35/78/73/553357873.db2.gz	GRKSGSYRPWNURD-FVDSYPCUSA-N	-1	0	521.599	4.975	40	30		KJEBRM
COc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])cc(OC)c1OC	ZINC000012529147	553385216	/nfs/dbraw/zinc/38/52/16/553385216.db2.gz	DRZGTDQJJBERDW-ZMOGYAJESA-N	-1	0	520.951	4.521	40	30		KJEBRM
CCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1OC	ZINC000012529333	553385653	/nfs/dbraw/zinc/38/56/53/553385653.db2.gz	SQRQUIAZSYSKQY-ZVHZXABRSA-N	-1	0	504.952	4.902	40	30		KJEBRM
COc1cc(OC)c(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1	ZINC000012532708	553386829	/nfs/dbraw/zinc/38/68/29/553386829.db2.gz	OXCIVJGRJCIMHI-ZMOGYAJESA-N	-1	0	520.951	4.521	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(C)n(Cc3ccco3)c2C)cc1	ZINC000012546616	553391598	/nfs/dbraw/zinc/39/15/98/553391598.db2.gz	QJECETTZYIZYJW-CVKSISIWSA-N	-1	0	523.571	4.910	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cccc(Br)c1	ZINC000012555409	553393313	/nfs/dbraw/zinc/39/33/13/553393313.db2.gz	CFASWLPJBYEDFD-LPYMAVHISA-N	-1	0	505.350	4.613	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000012562592	553394945	/nfs/dbraw/zinc/39/49/45/553394945.db2.gz	RKEJCZOKBWSADP-LPYMAVHISA-N	-1	0	505.350	4.613	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Br)cc1	ZINC000012562703	553395105	/nfs/dbraw/zinc/39/51/05/553395105.db2.gz	OVNGQWSKBPQJEE-LPYMAVHISA-N	-1	0	505.350	4.613	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1Br	ZINC000012584788	553399661	/nfs/dbraw/zinc/39/96/61/553399661.db2.gz	KJFYSSAHWJVZRZ-LPYMAVHISA-N	-1	0	505.350	4.613	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)cc1	ZINC000012586856	553399893	/nfs/dbraw/zinc/39/98/93/553399893.db2.gz	PFUKHRGAMLATAD-AFUMVMLFSA-N	-1	0	506.487	4.842	40	30		KJEBRM
CCOC(=O)c1sc([N-]N=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C(=O)OCC)c1C	ZINC000012625487	553404992	/nfs/dbraw/zinc/40/49/92/553404992.db2.gz	JLXSQAGIJWIXHR-SZXQPVLSSA-N	-1	0	504.568	4.629	40	30		KJEBRM
COc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1OC	ZINC000012649640	553409345	/nfs/dbraw/zinc/40/93/45/553409345.db2.gz	JEIFJHOORYIHAQ-ZMOGYAJESA-N	-1	0	520.951	4.521	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000012872923	553424186	/nfs/dbraw/zinc/42/41/86/553424186.db2.gz	NQULEZXQTWSSRY-OWWBLTMNSA-N	-1	0	500.680	4.690	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(N/N=C2/SC(=N)N=C2c2ccc(F)cc2)c1	ZINC000013145799	553454870	/nfs/dbraw/zinc/45/48/70/553454870.db2.gz	YTEUTUPUTRXMTL-KCGLNWASSA-N	-1	0	513.576	4.540	40	30		KJEBRM
Cn1ccnc1Sc1ccc(C=NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)cc1[N+](=O)[O-]	ZINC000014360096	553513827	/nfs/dbraw/zinc/51/38/27/553513827.db2.gz	WKRGJTVPBQTBKC-QPJQQBGISA-N	-1	0	501.739	4.979	40	30		KJEBRM
C[C@@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000014768568	553520793	/nfs/dbraw/zinc/52/07/93/553520793.db2.gz	ATALOFNDEOCMKK-BYYRLHKVSA-N	-1	0	534.432	4.952	40	30	world	KJEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=C1c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O	ZINC000016249040	553557692	/nfs/dbraw/zinc/55/76/92/553557692.db2.gz	FOBJYPNUXHRHMA-UUDCSCGESA-N	-1	0	505.622	4.854	40	30		KJEBRM
C[C@@H](N1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OCC#N)c3)o2)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000016576075	553568472	/nfs/dbraw/zinc/56/84/72/553568472.db2.gz	RXRZPUSQFLSAHI-NYFSIGSOSA-N	-1	0	527.577	4.694	40	30		KJEBRM
C[C@H](N1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OCC#N)c3)o2)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000016576076	553568461	/nfs/dbraw/zinc/56/84/61/553568461.db2.gz	RXRZPUSQFLSAHI-BBVGXWNRSA-N	-1	0	527.577	4.694	40	30		KJEBRM
CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccccc1	ZINC000017167455	553589824	/nfs/dbraw/zinc/58/98/24/553589824.db2.gz	YZCZBHSNCHWDAB-PUCVJYRNSA-N	-1	0	505.390	4.935	40	30		KJEBRM
COc1ccccc1[C@H](C#N)N1CCCN([C@H](C#N)c2ccccc2OC)C1c1cccc([N+](=O)[O-])c1[O-]	ZINC000019326032	553613426	/nfs/dbraw/zinc/61/34/26/553613426.db2.gz	FCVLVLMWXQCZFQ-XUEDKKMFSA-N	-1	0	513.554	4.854	40	30		KJEBRM
COc1ccccc1[C@H](C#N)N1CCCN([C@@H](C#N)c2ccccc2OC)C1c1cccc([N+](=O)[O-])c1[O-]	ZINC000019326035	553613468	/nfs/dbraw/zinc/61/34/68/553613468.db2.gz	FCVLVLMWXQCZFQ-ZEQRLZLVSA-N	-1	0	513.554	4.854	40	30		KJEBRM
CCOCOc1cc([O-])c(C(=O)/C=C/c2ccc(OCOCC)c(OCOCC)c2)c(OCOCC)c1	ZINC000022052255	553723587	/nfs/dbraw/zinc/72/35/87/553723587.db2.gz	LEAKBASVFDDUNJ-PKNBQFBNSA-N	-1	0	520.575	4.780	40	30	in-vitro	KJEBRM
[O-]c1c(I)cc(I)cc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000022831125	553755188	/nfs/dbraw/zinc/75/51/88/553755188.db2.gz	XPRFAFNJSFZSFT-AWQFTUOYSA-N	-1	0	507.153	4.989	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccccc2Br)cc1	ZINC000025388531	553806790	/nfs/dbraw/zinc/80/67/90/553806790.db2.gz	JBTDFIRTYXBQSM-LPYMAVHISA-N	-1	0	505.350	4.613	40	30		KJEBRM
CC(C)(C)c1nnc(NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)[n-]c1=O	ZINC000027525679	1067208646	/nfs/dbraw/zinc/20/86/46/1067208646.db2.gz	AKZYVCVZSJEHGH-BHGWPJFGSA-N	-1	0	504.772	4.544	40	30		KJEBRM
Cc1cc(C(=O)C(C#N)=NNc2cccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000029503261	553846794	/nfs/dbraw/zinc/84/67/94/553846794.db2.gz	ZJAGFIYRWNHTHG-ZONNCAFXSA-N	-1	0	651.705	4.565	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1OC(F)F	ZINC000033850448	553974898	/nfs/dbraw/zinc/97/48/98/553974898.db2.gz	CEXGGBWHLMHYEB-QFEZKATASA-N	-1	0	506.487	4.842	40	30		KJEBRM
COC(=O)CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C)c1cccs1	ZINC000034697264	553991087	/nfs/dbraw/zinc/99/10/87/553991087.db2.gz	ALLFRMQQLWSTAI-CLCOLTQESA-N	-1	0	516.601	4.843	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2OC(F)F)cc1	ZINC000034846558	554021011	/nfs/dbraw/zinc/02/10/11/554021011.db2.gz	KZRJIBNRODGBMK-QFEZKATASA-N	-1	0	506.487	4.842	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000035361525	554044340	/nfs/dbraw/zinc/04/43/40/554044340.db2.gz	RSSUHIZNGFAGKJ-CAZJTBESSA-N	-1	0	520.670	4.661	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC5CCC(C(=O)[O-])CC5)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000035361907	554044600	/nfs/dbraw/zinc/04/46/00/554044600.db2.gz	NTTXCEDJMLRTGI-CKRIPGBISA-N	-1	0	512.691	4.856	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCc5ccc(C(=O)[O-])cc5)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000035361933	554044615	/nfs/dbraw/zinc/04/46/15/554044615.db2.gz	BFCOXYSQFYFQOO-LDIQRAJCSA-N	-1	0	506.643	4.863	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC	ZINC000035656409	554062071	/nfs/dbraw/zinc/06/20/71/554062071.db2.gz	YQUGLWOGAPXXHK-NVHABHRXSA-N	-1	0	515.385	4.792	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC	ZINC000035657108	554062248	/nfs/dbraw/zinc/06/22/48/554062248.db2.gz	DADZMHPNJRUUTH-MKMXVRELSA-N	-1	0	515.385	4.792	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC	ZINC000035657118	554062413	/nfs/dbraw/zinc/06/24/13/554062413.db2.gz	BDNLJDRTMZQKPU-DLIIZKKJSA-N	-1	0	503.374	4.955	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000035657193	554062236	/nfs/dbraw/zinc/06/22/36/554062236.db2.gz	PTMDKFGZVKOINO-JEPJVFCJSA-N	-1	0	515.385	4.792	40	30		KJEBRM
Cc1ccc(Nc2nc(N=NCc3ccc([O-])c([N+](=O)[O-])c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000036020499	554139338	/nfs/dbraw/zinc/13/93/38/554139338.db2.gz	MUPHZTLCHIVJJG-DHRITJCHSA-N	-1	0	515.490	4.944	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000038555473	554275175	/nfs/dbraw/zinc/27/51/75/554275175.db2.gz	NPOPXVKWJITPDM-ADURWNCDSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C[C@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000043770784	554299925	/nfs/dbraw/zinc/29/99/25/554299925.db2.gz	ATALOFNDEOCMKK-OUWQEXSBSA-N	-1	0	534.432	4.952	40	30		KJEBRM
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000052245742	554329300	/nfs/dbraw/zinc/32/93/00/554329300.db2.gz	ATALOFNDEOCMKK-TVNIXMEMSA-N	-1	0	534.432	4.952	40	30	in-vitro	KJEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O	ZINC000053275966	554330682	/nfs/dbraw/zinc/33/06/82/554330682.db2.gz	OSMBYEYPUVLOPW-RIYZIHGNSA-N	-1	0	538.167	4.578	40	30		KJEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCC#N	ZINC000059105224	554380422	/nfs/dbraw/zinc/38/04/22/554380422.db2.gz	OFSIMDUTNAYYHJ-XSFVSMFZSA-N	-1	0	505.527	4.630	40	30		KJEBRM
C[C@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000059125344	554381203	/nfs/dbraw/zinc/38/12/03/554381203.db2.gz	ATALOFNDEOCMKK-KNMUDHKVSA-N	-1	0	534.432	4.952	40	30	in-vitro	KJEBRM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I	ZINC000059136073	554382037	/nfs/dbraw/zinc/38/20/37/554382037.db2.gz	BHSCRSNXEIVQSE-JLHYYAGUSA-N	-1	0	508.312	4.667	40	30		KJEBRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC#N	ZINC000059136307	554382312	/nfs/dbraw/zinc/38/23/12/554382312.db2.gz	ZGJZSUGRTPVZTO-UKTHLTGXSA-N	-1	0	504.337	4.561	40	30		KJEBRM
C#CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC	ZINC000059136309	554382236	/nfs/dbraw/zinc/38/22/36/554382236.db2.gz	SWZPCYXRSRVZDH-GXDHUFHOSA-N	-1	0	503.349	4.671	40	30		KJEBRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCC#N	ZINC000059136315	554382293	/nfs/dbraw/zinc/38/22/93/554382293.db2.gz	BNWMXBKPUHONFZ-UKTHLTGXSA-N	-1	0	504.337	4.561	40	30		KJEBRM
C#CCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OCC	ZINC000059136320	554382287	/nfs/dbraw/zinc/38/22/87/554382287.db2.gz	ZQHQDKPNKYIUMU-GXDHUFHOSA-N	-1	0	503.349	4.671	40	30		KJEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC#N	ZINC000059136371	554382680	/nfs/dbraw/zinc/38/26/80/554382680.db2.gz	JXBBXSLJLRKPBR-RVDMUPIBSA-N	-1	0	500.349	4.891	40	30		KJEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCC(=O)OCC	ZINC000059136406	554382619	/nfs/dbraw/zinc/38/26/19/554382619.db2.gz	PWNRGZBXZGEGTG-QGOAFFKASA-N	-1	0	512.559	4.566	40	30		KJEBRM
N#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000059198197	193890619	/nfs/dbraw/zinc/89/06/19/193890619.db2.gz	RSAKFKHALPLKGR-NTEUORMPSA-N	-1	0	505.122	4.621	40	30		KJEBRM
C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000059198198	554384769	/nfs/dbraw/zinc/38/47/69/554384769.db2.gz	QNIBPMOTSAGHGO-XNTDXEJSSA-N	-1	0	504.134	4.730	40	30		KJEBRM
C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	ZINC000059198250	554384629	/nfs/dbraw/zinc/38/46/29/554384629.db2.gz	DYUKPTXJBFDXRU-MHWRWJLKSA-N	-1	0	505.752	4.937	40	30		KJEBRM
N#CCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000059198286	554384782	/nfs/dbraw/zinc/38/47/82/554384782.db2.gz	NCXRNPAJSBASKK-XNTDXEJSSA-N	-1	0	505.122	4.621	40	30		KJEBRM
C=CCc1cc(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059247921	193893070	/nfs/dbraw/zinc/89/30/70/193893070.db2.gz	NJDYOOMCPXOFFO-ODLFYWEKSA-N	-1	0	517.401	4.850	40	30		KJEBRM
C=CCc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059249458	554387148	/nfs/dbraw/zinc/38/71/48/554387148.db2.gz	RRJWBRFMVCZOLS-WQRHYEAKSA-N	-1	0	503.374	4.541	40	30		KJEBRM
O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCC3)n2)c1[O-]	ZINC000059417918	554393830	/nfs/dbraw/zinc/39/38/30/554393830.db2.gz	ZUHJBMBODMEROI-MTDXEUNCSA-N	-1	0	510.558	4.866	40	30		KJEBRM
O=C1c2ccc3c4c(ccc(c42)C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-])CC3	ZINC000059474914	554397084	/nfs/dbraw/zinc/39/70/84/554397084.db2.gz	ZPGMTLPUFMXSCS-PGGKNCGUSA-N	-1	0	500.146	4.799	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000059478077	554397109	/nfs/dbraw/zinc/39/71/09/554397109.db2.gz	NQULEZXQTWSSRY-LUKSPQMBSA-N	-1	0	500.680	4.690	40	30		KJEBRM
O=C1c2ccccc2S/C1=C\c1cc(I)c([O-])c(I)c1	ZINC000059503504	554399527	/nfs/dbraw/zinc/39/95/27/554399527.db2.gz	QLRNWJOVEPVKNT-QPEQYQDCSA-N	-1	0	506.102	4.931	40	30		KJEBRM
CCN(C(C)=O)c1nc(/C=N/c2ccc(C(=O)[O-])cc2/N=C/c2csc(N(CC)C(C)=O)n2)cs1	ZINC000062587511	554507169	/nfs/dbraw/zinc/50/71/69/554507169.db2.gz	WIKCKLYSHGJOKV-JTZQCBLNSA-N	-1	0	512.617	4.545	40	30		KJEBRM
COc1ccc(NC(=O)C(N=Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C(C)=O)cc1	ZINC000064460203	554511447	/nfs/dbraw/zinc/51/14/47/554511447.db2.gz	XOKPGGOFPBSHOE-XAYXJRQQSA-N	-1	0	535.409	4.798	40	30		KJEBRM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000070672043	553601420	/nfs/dbraw/zinc/60/14/20/553601420.db2.gz	ZIMARCRHCBMDKZ-KPSVHEFUSA-N	-1	0	610.704	4.725	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070691931	553608766	/nfs/dbraw/zinc/60/87/66/553608766.db2.gz	SYHYUYXIFUNFHB-RWMZZEHSSA-N	-1	0	518.654	4.701	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692150	553609817	/nfs/dbraw/zinc/60/98/17/553609817.db2.gz	QDBYXULVNKQPIL-KZEMZETPSA-N	-1	0	536.669	4.584	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692151	553609840	/nfs/dbraw/zinc/60/98/40/553609840.db2.gz	QDBYXULVNKQPIL-ZDCIWJJOSA-N	-1	0	536.669	4.584	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692233	553610337	/nfs/dbraw/zinc/61/03/37/553610337.db2.gz	QHTLRHOFUALKRJ-DQPSNHHTSA-N	-1	0	536.669	4.657	40	30		KJEBRM
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000070692295	553610885	/nfs/dbraw/zinc/61/08/85/553610885.db2.gz	QUDYJUDXMKCRBJ-VZXHDDCNSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000070692296	553610878	/nfs/dbraw/zinc/61/08/78/553610878.db2.gz	QUDYJUDXMKCRBJ-OCLKPHSNSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CCCC[C@H](NC(=O)[C@H](C)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000070692297	553610862	/nfs/dbraw/zinc/61/08/62/553610862.db2.gz	QUDYJUDXMKCRBJ-KBYAXYTMSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000070692298	553610895	/nfs/dbraw/zinc/61/08/95/553610895.db2.gz	QUDYJUDXMKCRBJ-JWPOPTPKSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070696932	553611992	/nfs/dbraw/zinc/61/19/92/553611992.db2.gz	VWSZLHHWCXFMLO-YDSALUOCSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070696934	553611955	/nfs/dbraw/zinc/61/19/55/553611955.db2.gz	VWSZLHHWCXFMLO-OIKDKZCFSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070696937	553611968	/nfs/dbraw/zinc/61/19/68/553611968.db2.gz	VWSZLHHWCXFMLO-KIDJFJDSSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070696941	553611989	/nfs/dbraw/zinc/61/19/89/553611989.db2.gz	VWSZLHHWCXFMLO-KPNUYNASSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=C\C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C	ZINC000072399615	553651486	/nfs/dbraw/zinc/65/14/86/553651486.db2.gz	SOVMUUCAZOFIQP-UHFFFAOYSA-O	-1	0	728.866	4.982	40	30	in-vitro	KJEBRM
CCCCCCCCCCCCCCCCCC1=[NH+]CCN1CCN(CS(=O)(=O)[O-])CS(=O)(=O)[O-]	ZINC000073198514	553651979	/nfs/dbraw/zinc/65/19/79/553651979.db2.gz	QGJRYFLZEOBYTP-UHFFFAOYSA-N	-1	0	539.805	4.955	40	30		KJEBRM
COC(=O)[C@@H](C(=O)C(=O)[N-]c1n[nH]c(=S)[nH]1)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1	ZINC000073352194	553653590	/nfs/dbraw/zinc/65/35/90/553653590.db2.gz	VEKOERAWPIQDHH-LJQANCHMSA-N	-1	0	545.606	4.557	40	30		KJEBRM
COC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)[N-]S(=O)(=O)c3ccccc3C)cc1OC)cn2C	ZINC000077286502	553658487	/nfs/dbraw/zinc/65/84/87/553658487.db2.gz	URZMDHMOLIPBIX-UHFFFAOYSA-N	-1	0	521.595	4.958	40	30	in-vitro	KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000079221507	553671921	/nfs/dbraw/zinc/67/19/21/553671921.db2.gz	IDSULYHNJGZXKY-DUMHIHIASA-N	-1	0	706.877	4.631	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902315	553691376	/nfs/dbraw/zinc/69/13/76/553691376.db2.gz	SYHYUYXIFUNFHB-FLDIAEDPSA-N	-1	0	518.654	4.701	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902352	553691410	/nfs/dbraw/zinc/69/14/10/553691410.db2.gz	QDBYXULVNKQPIL-CTVFKMBTSA-N	-1	0	536.669	4.584	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902355	553691388	/nfs/dbraw/zinc/69/13/88/553691388.db2.gz	QDBYXULVNKQPIL-KUKYTWTLSA-N	-1	0	536.669	4.584	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902404	553691385	/nfs/dbraw/zinc/69/13/85/553691385.db2.gz	QHTLRHOFUALKRJ-UAPHAOOTSA-N	-1	0	536.669	4.657	40	30		KJEBRM
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000085902449	553691355	/nfs/dbraw/zinc/69/13/55/553691355.db2.gz	QUDYJUDXMKCRBJ-CKVFFRBASA-N	-1	0	571.759	4.791	40	30		KJEBRM
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000085902451	553691397	/nfs/dbraw/zinc/69/13/97/553691397.db2.gz	QUDYJUDXMKCRBJ-FBYNQZOYSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902525	553691758	/nfs/dbraw/zinc/69/17/58/553691758.db2.gz	VWSZLHHWCXFMLO-HBEUKVHXSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000085902530	553691683	/nfs/dbraw/zinc/69/16/83/553691683.db2.gz	VWSZLHHWCXFMLO-DNBKPKDXSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000095627836	1067210539	/nfs/dbraw/zinc/21/05/39/1067210539.db2.gz	KUQWGLQLLVFLSM-ONAXAZCASA-N	-1	0	757.951	4.735	40	30	investigational	KJEBRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000095910675	291875810	/nfs/dbraw/zinc/87/58/10/291875810.db2.gz	BHHKBYFDFSIXJN-WQMBMQKBSA-N	-1	0	500.676	4.562	40	30	biogenic,in-vitro	KJEBRM
COC(=O)COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000096006178	553716346	/nfs/dbraw/zinc/71/63/46/553716346.db2.gz	XZBZNQIVOCPDSS-MTJRWTQQSA-N	-1	0	502.548	4.741	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC	ZINC000096193394	1067210493	/nfs/dbraw/zinc/21/04/93/1067210493.db2.gz	WVDFCBLOMDCCHU-NVNXTCNLSA-N	-1	0	503.736	4.627	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)cc1	ZINC000096398889	553753378	/nfs/dbraw/zinc/75/33/78/553753378.db2.gz	PFUKHRGAMLATAD-QFEZKATASA-N	-1	0	506.487	4.842	40	30		KJEBRM
CCOc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-]	ZINC000097939737	553760838	/nfs/dbraw/zinc/76/08/38/553760838.db2.gz	VWSCDOWIYZDYOF-YLNNLZOCSA-N	-1	0	554.621	4.844	40	30		KJEBRM
CCOc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-]	ZINC000097939739	553760815	/nfs/dbraw/zinc/76/08/15/553760815.db2.gz	VWSCDOWIYZDYOF-QDKQFYOWSA-N	-1	0	554.621	4.844	40	30		KJEBRM
CCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccccc1	ZINC000097944924	553770362	/nfs/dbraw/zinc/77/03/62/553770362.db2.gz	NCBGVDNIIHQXHH-PUCVJYRNSA-N	-1	0	552.390	4.777	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000097959516	553864246	/nfs/dbraw/zinc/86/42/46/553864246.db2.gz	XYXFBBXTWJWQEY-KPKCGWESSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000097971828	553963140	/nfs/dbraw/zinc/96/31/40/553963140.db2.gz	VWSZLHHWCXFMLO-NTMQOQLESA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000097971829	553963115	/nfs/dbraw/zinc/96/31/15/553963115.db2.gz	VWSZLHHWCXFMLO-OUCNNWNUSA-N	-1	0	586.770	4.807	40	30		KJEBRM
C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000097974568	553968422	/nfs/dbraw/zinc/96/84/22/553968422.db2.gz	ATALOFNDEOCMKK-NXXCRTJYSA-N	-1	0	534.432	4.952	40	30		KJEBRM
CCCCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)C1=O	ZINC000097980708	553990702	/nfs/dbraw/zinc/99/07/02/553990702.db2.gz	VWIPBJAIGHDQEI-AZPGRJICSA-N	-1	0	537.598	4.757	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000097980718	553990547	/nfs/dbraw/zinc/99/05/47/553990547.db2.gz	KPZAAOCSVFXFHF-QRVIBDJDSA-N	-1	0	519.923	4.802	40	30		KJEBRM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NN=C(C#N)C(=O)Nc2ccccn2)cc1	ZINC000097982645	554004355	/nfs/dbraw/zinc/00/43/55/554004355.db2.gz	NMNKQIUFGMFEDE-MTDXEUNCSA-N	-1	0	543.403	4.623	40	30		KJEBRM
COc1ccc(NN=C(C(C)=O)C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000097982651	554004370	/nfs/dbraw/zinc/00/43/70/554004370.db2.gz	KCENLTNNGULHGL-XAYXJRQQSA-N	-1	0	579.860	4.908	40	30		KJEBRM
CCOc1ccc([N-]S(=O)(=O)c2cc(NN=C(C(=O)OC)c3nc4ccccc4[nH]3)ccc2OC)cc1Br	ZINC000097982652	554004306	/nfs/dbraw/zinc/00/43/06/554004306.db2.gz	YURHZKKKRPNBFN-WMMMYUQOSA-N	-1	0	602.467	4.523	40	30		KJEBRM
CC(N[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O	ZINC000098044036	554128911	/nfs/dbraw/zinc/12/89/11/554128911.db2.gz	CNDRLQTWKWIHEP-RUZDIDTESA-N	-1	0	532.637	4.970	40	30		KJEBRM
CC(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000100011956	554181051	/nfs/dbraw/zinc/18/10/51/554181051.db2.gz	AIXQFQDHFKYTJG-QTPRHWQCSA-N	-1	0	583.597	5.000	40	30		KJEBRM
O=C1N/C(=N\N=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=C/c1cc(Br)c([O-])c(Br)c1O	ZINC000100046682	554193847	/nfs/dbraw/zinc/19/38/47/554193847.db2.gz	VUOOWTCSHRQZRN-LFFBBLNUSA-N	-1	0	576.610	4.778	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000100055424	554196206	/nfs/dbraw/zinc/19/62/06/554196206.db2.gz	PGQMHOXWIJMJON-XNTDXEJSSA-N	-1	0	522.218	4.608	40	30		KJEBRM
CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(I)c1OCC(=O)[O-]	ZINC000100061571	554198745	/nfs/dbraw/zinc/19/87/45/554198745.db2.gz	KBVGLNKTICOUGI-GZIVZEMBSA-N	-1	0	523.154	4.584	40	30		KJEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cc3c(cc2Br)OCO3)cc1[N+](=O)[O-]	ZINC000100102767	554219934	/nfs/dbraw/zinc/21/99/34/554219934.db2.gz	RVBNHMUFPGJSSZ-FOKLQQMPSA-N	-1	0	518.345	4.946	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1Br	ZINC000100103575	554220284	/nfs/dbraw/zinc/22/02/84/554220284.db2.gz	YKMCUCNNRGKIDY-XNTDXEJSSA-N	-1	0	536.245	4.916	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Br	ZINC000100137192	554226947	/nfs/dbraw/zinc/22/69/47/554226947.db2.gz	ZEEGIIJJRSXJTE-DHDCSXOGSA-N	-1	0	520.177	4.751	40	30		KJEBRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@H]5C(=O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000100145115	554230329	/nfs/dbraw/zinc/23/03/29/554230329.db2.gz	BHHKBYFDFSIXJN-RFPUQFRNSA-N	-1	0	500.676	4.562	40	30		KJEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cc(I)cc(I)c2[O-])c1	ZINC000100299785	554290312	/nfs/dbraw/zinc/29/03/12/554290312.db2.gz	GJSDEPLITYZKDF-AWQFTUOYSA-N	-1	0	534.135	4.947	40	30		KJEBRM
CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C2=C1CCCC2=O	ZINC000100314167	554302081	/nfs/dbraw/zinc/30/20/81/554302081.db2.gz	IEYFDXLONNORMQ-UHFFFAOYSA-N	-1	0	539.220	4.718	40	30		KJEBRM
[O-]c1c(I)cc(I)cc1/C=N/c1ccccc1N1CCCC1	ZINC000100314346	554302411	/nfs/dbraw/zinc/30/24/11/554302411.db2.gz	NNIUBTSVKYWTEL-RGVLZGJSSA-N	-1	0	518.136	4.952	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000100320957	554305224	/nfs/dbraw/zinc/30/52/24/554305224.db2.gz	RZVXDQNSRZGZLD-OQLLNIDSSA-N	-1	0	552.244	4.616	40	30		KJEBRM
CCOC[N-]C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100347315	554330623	/nfs/dbraw/zinc/33/06/23/554330623.db2.gz	FLKRFUOBDIGGOU-UHFFFAOYSA-N	-1	0	500.202	4.654	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br	ZINC000100409770	554374644	/nfs/dbraw/zinc/37/46/44/554374644.db2.gz	XUZNPAVKHZWBRN-WQLSENKSSA-N	-1	0	540.208	4.747	40	30		KJEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O	ZINC000100415100	554380529	/nfs/dbraw/zinc/38/05/29/554380529.db2.gz	DAZILBYSIHBXTE-NVNXTCNLSA-N	-1	0	538.167	4.578	40	30		KJEBRM
O=C([N-]CCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	ZINC000100494963	554403866	/nfs/dbraw/zinc/40/38/66/554403866.db2.gz	VIZTZBBMNDIDGX-UHFFFAOYSA-N	-1	0	537.622	4.764	40	30		KJEBRM
O=C([N-]CCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100495043	554403963	/nfs/dbraw/zinc/40/39/63/554403963.db2.gz	JEAPCHNJVHGWCS-UHFFFAOYSA-N	-1	0	517.204	4.587	40	30		KJEBRM
O=C(c1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1)N1CCOCC1	ZINC000100530650	554410417	/nfs/dbraw/zinc/41/04/17/554410417.db2.gz	OHMZUNILOMCAPI-HMZBKAONSA-N	-1	0	536.617	4.502	40	30		KJEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1OC	ZINC000100608893	554432276	/nfs/dbraw/zinc/43/22/76/554432276.db2.gz	IMFBVKVBVWDPJO-JOCHJYFZSA-N	-1	0	532.387	4.690	40	30		KJEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(Br)cc2)cc1OC	ZINC000100608895	554432265	/nfs/dbraw/zinc/43/22/65/554432265.db2.gz	IMFBVKVBVWDPJO-QFIPXVFZSA-N	-1	0	532.387	4.690	40	30		KJEBRM
COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(O)c(C(=O)[O-])c4)o3)nc(NCc3ccco3)[nH]2)cc1	ZINC000100924025	554523149	/nfs/dbraw/zinc/52/31/49/554523149.db2.gz	FUKRENPCDOOAOB-WKULSOCRSA-N	-1	0	541.524	4.939	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OC	ZINC000100931357	554527497	/nfs/dbraw/zinc/52/74/97/554527497.db2.gz	AICKPALVAMFRMZ-QIHNDPBESA-N	-1	0	538.363	4.631	40	30		KJEBRM
[O-]c1c(Br)cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(Br)cc2)c(O)c1Br	ZINC000100932364	554527819	/nfs/dbraw/zinc/52/78/19/554527819.db2.gz	OJIKOWOSJIOTJR-AERZKKPOSA-N	-1	0	600.025	4.901	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000100938201	554531372	/nfs/dbraw/zinc/53/13/72/554531372.db2.gz	QGMYKUVOICKBHE-JEPJVFCJSA-N	-1	0	562.385	4.634	40	30		KJEBRM
CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC	ZINC000100938941	554531658	/nfs/dbraw/zinc/53/16/58/554531658.db2.gz	LAMUMNDRHODCST-QIHNDPBESA-N	-1	0	538.363	4.631	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC	ZINC000100939836	554531964	/nfs/dbraw/zinc/53/19/64/554531964.db2.gz	SYPJMMDMJOWVJM-FRYIGISESA-N	-1	0	550.374	4.797	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC	ZINC000100940120	554532282	/nfs/dbraw/zinc/53/22/82/554532282.db2.gz	PUSYSAGYYFZTPP-FRYIGISESA-N	-1	0	503.374	4.955	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC	ZINC000100952760	554537690	/nfs/dbraw/zinc/53/76/90/554537690.db2.gz	JIPXQYZRDHQNPS-QPEQYQDCSA-N	-1	0	557.706	4.808	40	30		KJEBRM
COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Cl)cc1OCC(=O)[O-]	ZINC000100985901	554548455	/nfs/dbraw/zinc/54/84/55/554548455.db2.gz	GFRPJUJXPBJPPB-XMMPIXPASA-N	-1	0	508.983	4.625	40	30		KJEBRM
COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Cl)cc1OCC(=O)[O-]	ZINC000100985903	554548432	/nfs/dbraw/zinc/54/84/32/554548432.db2.gz	GFRPJUJXPBJPPB-DEOSSOPVSA-N	-1	0	508.983	4.625	40	30		KJEBRM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101014776	554559020	/nfs/dbraw/zinc/55/90/20/554559020.db2.gz	KJEJRLFMIDLNMK-SAGAUJLNSA-N	-1	0	522.689	4.745	40	30		KJEBRM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101014779	554559064	/nfs/dbraw/zinc/55/90/64/554559064.db2.gz	KJEJRLFMIDLNMK-WKSXIXGESA-N	-1	0	522.689	4.745	40	30		KJEBRM
CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000101015089	554559534	/nfs/dbraw/zinc/55/95/34/554559534.db2.gz	NFPCTQPNOUCCRK-QFYPPQICSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000101015093	554559459	/nfs/dbraw/zinc/55/94/59/554559459.db2.gz	NFPCTQPNOUCCRK-MHVBHLRWSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000101015097	554559485	/nfs/dbraw/zinc/55/94/85/554559485.db2.gz	NFPCTQPNOUCCRK-JEBFFPNQSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C2=O)cc1OC	ZINC000101015099	554559506	/nfs/dbraw/zinc/55/95/06/554559506.db2.gz	NFPCTQPNOUCCRK-LKNIZVOHSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101015279	554560065	/nfs/dbraw/zinc/56/00/65/554560065.db2.gz	OQJDDWYUSIFTEO-RUAFXOIQSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@@H](CC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101015281	554560057	/nfs/dbraw/zinc/56/00/57/554560057.db2.gz	OQJDDWYUSIFTEO-JYMAMDRGSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101015283	554560046	/nfs/dbraw/zinc/56/00/46/554560046.db2.gz	OQJDDWYUSIFTEO-RYYGCXQOSA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCCCCCC[C@H](C)Oc1ccc(/C=C2/SC(=S)N([C@H](CC(N)=O)C(=O)[O-])C2=O)cc1OCC	ZINC000101015284	554560043	/nfs/dbraw/zinc/56/00/43/554560043.db2.gz	OQJDDWYUSIFTEO-ROWYINTESA-N	-1	0	522.689	4.743	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1C#N	ZINC000101375921	554746418	/nfs/dbraw/zinc/74/64/18/554746418.db2.gz	SAZJHINSIPUKNU-LPYMAVHISA-N	-1	0	546.377	4.965	40	30		KJEBRM
COc1ccc(OC)c(N=Nc2c(=O)n(-c3nc(C(C)(C)C)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000101401970	554760138	/nfs/dbraw/zinc/76/01/38/554760138.db2.gz	OOZYLTHSIAXAOZ-MEFGMAGPSA-N	-1	0	508.560	4.585	40	30		KJEBRM
COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(OC)cc4[N+](=O)[O-])c3=O)n2)cc1	ZINC000101404632	554761319	/nfs/dbraw/zinc/76/13/19/554761319.db2.gz	SIFXTODWBWISEW-OLFWJLLRSA-N	-1	0	528.550	4.955	40	30		KJEBRM
O=C(NCc1ccccc1)c1ccccc1N=Nc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000101407516	554762158	/nfs/dbraw/zinc/76/21/58/554762158.db2.gz	JSBZAMSUHRSUQU-MXNGAVTRSA-N	-1	0	518.533	4.744	40	30		KJEBRM
COc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000101476012	554782273	/nfs/dbraw/zinc/78/22/73/554782273.db2.gz	OCXNOPSSOHAPAJ-WEMUOSSPSA-N	-1	0	543.521	4.854	40	30		KJEBRM
O=c1c(N=Nc2ccccc2[N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1	ZINC000101483736	554785063	/nfs/dbraw/zinc/78/50/63/554785063.db2.gz	SLVLFSLBCKQGAV-HPNDGRJYSA-N	-1	0	513.495	4.846	40	30		KJEBRM
[O-]c1c(Br)cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Br	ZINC000101952767	554853099	/nfs/dbraw/zinc/85/30/99/554853099.db2.gz	FDOIGRLTMIVKCR-QRVIBDJDSA-N	-1	0	539.276	4.529	40	30		KJEBRM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000102051299	1067212044	/nfs/dbraw/zinc/21/20/44/1067212044.db2.gz	JQJHGRIMAFUKRH-FNZWTVRRSA-N	-1	0	537.572	4.839	40	30		KJEBRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C=O)[C@H]5C(=O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000102227532	554899713	/nfs/dbraw/zinc/89/97/13/554899713.db2.gz	BHHKBYFDFSIXJN-WQEJOJPUSA-N	-1	0	500.676	4.562	40	30		KJEBRM
O=C([O-])c1ccc(NC2=CC(=NS(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1	ZINC000102629396	554989110	/nfs/dbraw/zinc/98/91/10/554989110.db2.gz	AHPZPBLPJONCAN-QOMWVZHYSA-N	-1	0	511.353	4.518	40	30		KJEBRM
O=C([O-])c1cc(-c2ccc(C=NN=c3nc4[nH]onc-4nc3Nc3ccc(Br)cc3)o2)ccc1O	ZINC000102779086	555065158	/nfs/dbraw/zinc/06/51/58/555065158.db2.gz	UQADKMXSTHQOPG-VROXFSQNSA-N	-1	0	536.302	4.629	40	30		KJEBRM
C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000102927177	555151861	/nfs/dbraw/zinc/15/18/61/555151861.db2.gz	XVLYNKASPHQQDG-ALHGGCCFSA-N	-1	0	512.183	4.768	40	30		KJEBRM
O=C(C(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccccn1)c1ccccn1	ZINC000102934104	555161358	/nfs/dbraw/zinc/16/13/58/555161358.db2.gz	ZGXASIRCGNASCU-BYNJWEBRSA-N	-1	0	536.957	4.538	40	30		KJEBRM
CCOC(=O)c1ccc(N=c2sc(-c3ccccc3)c([O-])n2S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000102934832	555161956	/nfs/dbraw/zinc/16/19/56/555161956.db2.gz	YJSCIVYQJQOWDK-WOLPYFHWSA-N	-1	0	524.620	4.955	40	30		KJEBRM
CCOC(=O)c1ccc(N=c2sc(-c3ccccc3)c([O-])n2S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000102934838	555162009	/nfs/dbraw/zinc/16/20/09/555162009.db2.gz	YJSCIVYQJQOWDK-SKWYYERQSA-N	-1	0	524.620	4.955	40	30		KJEBRM
O=C(C=C([O-])c1ccccc1NC1=CC(=O)C(=O)c2ccccc21)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000102938844	555167503	/nfs/dbraw/zinc/16/75/03/555167503.db2.gz	ZLIKMIMZJKADTK-UHFFFAOYSA-N	-1	0	507.329	4.992	40	30		KJEBRM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OCc2ccccc21	ZINC000102941372	555170035	/nfs/dbraw/zinc/17/00/35/555170035.db2.gz	FEFWCRHVTQHVQE-NAKRPHOHSA-N	-1	0	505.486	4.898	40	30		KJEBRM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OCc2ccccc21	ZINC000102941374	555170080	/nfs/dbraw/zinc/17/00/80/555170080.db2.gz	FEFWCRHVTQHVQE-LSYYVWMOSA-N	-1	0	505.486	4.898	40	30		KJEBRM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OCc2ccccc21	ZINC000102941377	555170105	/nfs/dbraw/zinc/17/01/05/555170105.db2.gz	FEFWCRHVTQHVQE-LEAFIULHSA-N	-1	0	505.486	4.898	40	30		KJEBRM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OCc2ccccc21	ZINC000102941380	555170131	/nfs/dbraw/zinc/17/01/31/555170131.db2.gz	FEFWCRHVTQHVQE-LBNVMWSVSA-N	-1	0	505.486	4.898	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)/N=C2\N=C3C=CC(Cl)=CN3Cc3ccccc32)c1	ZINC000102944346	555171215	/nfs/dbraw/zinc/17/12/15/555171215.db2.gz	VRJTWAQLABGQQW-BXVZCJGGSA-N	-1	0	533.009	4.947	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(N/N=C2\SC(=N)N=C2c2ccc(F)cc2)c1	ZINC000102949445	555172385	/nfs/dbraw/zinc/17/23/85/555172385.db2.gz	YTEUTUPUTRXMTL-YTZIEHQFSA-N	-1	0	513.576	4.540	40	30		KJEBRM
CCCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(C)cc2C)C1=O	ZINC000102980352	555187372	/nfs/dbraw/zinc/18/73/72/555187372.db2.gz	GRKSGSYRPWNURD-AZPGRJICSA-N	-1	0	521.599	4.975	40	30		KJEBRM
Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000102982033	555188447	/nfs/dbraw/zinc/18/84/47/555188447.db2.gz	QMHWCWBUUQVGPH-FOKLQQMPSA-N	-1	0	519.923	4.726	40	30		KJEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000102982748	555188872	/nfs/dbraw/zinc/18/88/72/555188872.db2.gz	NCIRVJCIYYCTTC-LSHDLFTRSA-N	-1	0	526.314	4.762	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1	ZINC000102983308	555189265	/nfs/dbraw/zinc/18/92/65/555189265.db2.gz	MXRDPINKQKESNK-MTDXEUNCSA-N	-1	0	594.675	4.810	40	30		KJEBRM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000102983348	555189256	/nfs/dbraw/zinc/18/92/56/555189256.db2.gz	KPZAAOCSVFXFHF-YDZHTSKRSA-N	-1	0	519.923	4.802	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000102983843	555189725	/nfs/dbraw/zinc/18/97/25/555189725.db2.gz	LYUJFKBSIXHINL-CVKSISIWSA-N	-1	0	583.608	4.643	40	30		KJEBRM
CCCCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)C1=O	ZINC000102984072	555189901	/nfs/dbraw/zinc/18/99/01/555189901.db2.gz	VWIPBJAIGHDQEI-FVDSYPCUSA-N	-1	0	537.598	4.757	40	30		KJEBRM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(F)c(F)c(F)c(F)c1F	ZINC000102984153	555190022	/nfs/dbraw/zinc/19/00/22/555190022.db2.gz	FPIPJYRXRIFZPI-JQAMDZJQSA-N	-1	0	516.404	4.546	40	30		KJEBRM
CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(OCC)c(OCC(=O)[O-])cc3Br)S2)cc1	ZINC000103600164	555454096	/nfs/dbraw/zinc/45/40/96/555454096.db2.gz	RFYXYRFJTJCDMH-VXLYETTFSA-N	-1	0	521.389	4.602	40	30		KJEBRM
C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103630542	555459851	/nfs/dbraw/zinc/45/98/51/555459851.db2.gz	SRMWNTGHXHOWBT-UHFFFAOYSA-N	-1	0	513.169	4.503	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	ZINC000103815053	555482392	/nfs/dbraw/zinc/48/23/92/555482392.db2.gz	CIGZFHDFDISANH-OQLLNIDSSA-N	-1	0	550.203	4.760	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000103842131	571362387	/nfs/dbraw/zinc/36/23/87/571362387.db2.gz	HJNOJYZZROECEP-YDZHTSKRSA-N	-1	0	571.542	4.696	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000103842419	571362536	/nfs/dbraw/zinc/36/25/36/571362536.db2.gz	KHOJJYJKCRCWGS-YDZHTSKRSA-N	-1	0	526.545	4.706	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1Br	ZINC000103843446	571362693	/nfs/dbraw/zinc/36/26/93/571362693.db2.gz	YQPOATSQIUYOQA-MHWRWJLKSA-N	-1	0	547.789	4.578	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000103844053	571362766	/nfs/dbraw/zinc/36/27/66/571362766.db2.gz	VJDNTAGHFQPHKC-AWQFTUOYSA-N	-1	0	590.386	4.694	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1OCC	ZINC000103844873	571362932	/nfs/dbraw/zinc/36/29/32/571362932.db2.gz	SLIZEFCDAZSZRM-LDADJPATSA-N	-1	0	559.413	4.876	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(Br)c1OCC(=O)OCC	ZINC000103845103	571363138	/nfs/dbraw/zinc/36/31/38/571363138.db2.gz	DFNCNUYPVWYNDD-DEDYPNTBSA-N	-1	0	601.450	4.583	40	30		KJEBRM
CC/N=C1\S/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C(=O)N1CC	ZINC000103846188	571363198	/nfs/dbraw/zinc/36/31/98/571363198.db2.gz	YQNTVAVOVIBSKC-XYFUTXSQSA-N	-1	0	566.417	4.889	40	30		KJEBRM
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(I)c([O-])c(I)c1	ZINC000103846787	571363555	/nfs/dbraw/zinc/36/35/55/571363555.db2.gz	NVCUZPXJNOTKLV-NTUHNPAUSA-N	-1	0	566.133	4.632	40	30		KJEBRM
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Br)c([O-])c(I)c1	ZINC000103846900	571363542	/nfs/dbraw/zinc/36/35/42/571363542.db2.gz	CSGDALBEHNWLOB-NTUHNPAUSA-N	-1	0	519.133	4.790	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br	ZINC000103847396	571363566	/nfs/dbraw/zinc/36/35/66/571363566.db2.gz	QYZCOMUDVSNBNK-VGOFMYFVSA-N	-1	0	530.169	4.706	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I	ZINC000103847496	571363700	/nfs/dbraw/zinc/36/37/00/571363700.db2.gz	LUVRKMOFRYSGSV-VGOFMYFVSA-N	-1	0	577.169	4.548	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000103848924	571364015	/nfs/dbraw/zinc/36/40/15/571364015.db2.gz	SLRUQNKQLIBKJD-RGVLZGJSSA-N	-1	0	520.314	4.705	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000103849037	571364042	/nfs/dbraw/zinc/36/40/42/571364042.db2.gz	PGWHXOQLXYNPLX-ZSOIEALJSA-N	-1	0	524.140	4.582	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1I	ZINC000103849703	571364184	/nfs/dbraw/zinc/36/41/84/571364184.db2.gz	XXZSEUHBWIPOGL-RGVLZGJSSA-N	-1	0	567.314	4.547	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000103849873	571364362	/nfs/dbraw/zinc/36/43/62/571364362.db2.gz	BIBDNQBRHRFAFP-KEBDBYFISA-N	-1	0	550.340	4.714	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000103849937	571364314	/nfs/dbraw/zinc/36/43/14/571364314.db2.gz	NDICHYHNZDSAEM-KEBDBYFISA-N	-1	0	597.340	4.556	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000103850012	571364331	/nfs/dbraw/zinc/36/43/31/571364331.db2.gz	SGKJENVQDFLPAE-KEBDBYFISA-N	-1	0	550.340	4.714	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000103850280	571364528	/nfs/dbraw/zinc/36/45/28/571364528.db2.gz	UTKWAMGZGQUYGM-SRZZPIQSSA-N	-1	0	519.916	4.995	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000103850438	571364416	/nfs/dbraw/zinc/36/44/16/571364416.db2.gz	WWTYJFVTMWPNAZ-SRZZPIQSSA-N	-1	0	611.367	4.946	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000103850718	571364666	/nfs/dbraw/zinc/36/46/66/571364666.db2.gz	UUCAJYOXSUPGNX-OEAKJJBVSA-N	-1	0	531.496	4.716	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000103850721	571364608	/nfs/dbraw/zinc/36/46/08/571364608.db2.gz	RMKQWWUMVPHMPJ-OEAKJJBVSA-N	-1	0	531.496	4.716	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000103850887	571364726	/nfs/dbraw/zinc/36/47/26/571364726.db2.gz	NCTRJBWNEHNBSI-CIAFOILYSA-N	-1	0	520.314	4.705	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Br	ZINC000103851039	571364743	/nfs/dbraw/zinc/36/47/43/571364743.db2.gz	CEJLBMBSANXWLQ-WOJGMQOQSA-N	-1	0	536.382	4.870	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I	ZINC000103851762	571365142	/nfs/dbraw/zinc/36/51/42/571365142.db2.gz	QASZDVDTRZFTOE-XYOKQWHBSA-N	-1	0	587.208	4.589	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I	ZINC000103851904	571365128	/nfs/dbraw/zinc/36/51/28/571365128.db2.gz	HNMWATHZNQIXLL-WOJGMQOQSA-N	-1	0	583.382	4.712	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000103852025	571365246	/nfs/dbraw/zinc/36/52/46/571365246.db2.gz	UDDFWMFXFIZLQH-VCHYOVAHSA-N	-1	0	521.957	4.770	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000103852102	571365274	/nfs/dbraw/zinc/36/52/74/571365274.db2.gz	LGBLCMSRFSAXNT-VCHYOVAHSA-N	-1	0	566.408	4.879	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000103852149	571365260	/nfs/dbraw/zinc/36/52/60/571365260.db2.gz	WUKKPKLDKJBQIX-VCHYOVAHSA-N	-1	0	613.408	4.721	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000103852215	571365289	/nfs/dbraw/zinc/36/52/89/571365289.db2.gz	SZDOUAOPJMSYHT-VCHYOVAHSA-N	-1	0	566.408	4.879	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1C#N	ZINC000103853001	571365818	/nfs/dbraw/zinc/36/58/18/571365818.db2.gz	UTSKVQPNJBNWIP-HYARGMPZSA-N	-1	0	527.577	4.845	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000103853011	571365738	/nfs/dbraw/zinc/36/57/38/571365738.db2.gz	QETRUKDKFMYDQM-KGENOOAVSA-N	-1	0	547.564	4.881	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000103853018	571365803	/nfs/dbraw/zinc/36/58/03/571365803.db2.gz	WQECTHHSHNIBNH-KGENOOAVSA-N	-1	0	547.564	4.881	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2	ZINC000103853024	571365772	/nfs/dbraw/zinc/36/57/72/571365772.db2.gz	YQNYRSYTCJSSHS-UDWIEESQSA-N	-1	0	546.576	4.702	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000103853305	571365774	/nfs/dbraw/zinc/36/57/74/571365774.db2.gz	LTOVNXTVAZIZGL-XDHOZWIPSA-N	-1	0	536.382	4.870	40	30		KJEBRM
N#Cc1ccccc1Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21	ZINC000103858335	571366651	/nfs/dbraw/zinc/36/66/51/571366651.db2.gz	RTCFBTRKCUATRT-YDZHTSKRSA-N	-1	0	525.362	4.990	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000103858490	571366653	/nfs/dbraw/zinc/36/66/53/571366653.db2.gz	VYVOYLDCLVCYET-RIYZIHGNSA-N	-1	0	583.030	4.653	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br	ZINC000103858547	571366625	/nfs/dbraw/zinc/36/66/25/571366625.db2.gz	BKBNBAZBVSUXJD-RIYZIHGNSA-N	-1	0	538.579	4.543	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	ZINC000103859323	571367155	/nfs/dbraw/zinc/36/71/55/571367155.db2.gz	HXCDCEXKRYNSFF-MHWRWJLKSA-N	-1	0	550.203	4.842	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	ZINC000103859358	571367109	/nfs/dbraw/zinc/36/71/09/571367109.db2.gz	WAMWCVSMRBVCDV-MHWRWJLKSA-N	-1	0	597.203	4.684	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	ZINC000103859424	571367058	/nfs/dbraw/zinc/36/70/58/571367058.db2.gz	OUHJQZNIYZUNSA-MHWRWJLKSA-N	-1	0	550.203	4.842	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000103860200	571367417	/nfs/dbraw/zinc/36/74/17/571367417.db2.gz	UDUXOVCISKRTCK-LPYMAVHISA-N	-1	0	518.392	4.731	40	30		KJEBRM
C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(I)cc2)C1=O	ZINC000103921352	571369733	/nfs/dbraw/zinc/36/97/33/571369733.db2.gz	XKGBPZPOSIQKAG-OQLLNIDSSA-N	-1	0	604.036	4.842	40	30		KJEBRM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccccc4)N(c4ccccc4)C3=O)cc2)cc1	ZINC000104194063	571376560	/nfs/dbraw/zinc/37/65/60/571376560.db2.gz	UKRCIQFKHJLGIT-HWIUFGAZSA-N	-1	0	596.665	4.906	40	30		KJEBRM
O=C1Nc2ccccc2/C1=N\c1ccc(S(=O)(=O)c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cc1	ZINC000104808965	571386314	/nfs/dbraw/zinc/38/63/14/571386314.db2.gz	AQRXQGSLFLWBSY-LQKURTRISA-N	-1	0	526.530	4.957	40	30		KJEBRM
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(C(=O)OCC#N)c3)o2)C1=O	ZINC000104853756	571386932	/nfs/dbraw/zinc/38/69/32/571386932.db2.gz	AEBIJEDVGHVTPY-XSFVSMFZSA-N	-1	0	548.349	4.618	40	30		KJEBRM
COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)nc(NCc3ccco3)[nH]2)cc1	ZINC000105502776	571406690	/nfs/dbraw/zinc/40/66/90/571406690.db2.gz	NSOZFJKYMSYRDU-WKULSOCRSA-N	-1	0	541.524	4.939	40	30		KJEBRM
Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000105532529	571407393	/nfs/dbraw/zinc/40/73/93/571407393.db2.gz	DPOWQSGWMZABTR-VULFUBBASA-N	-1	0	554.972	4.687	40	30		KJEBRM
[O-]c1c(I)cc(I)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000105668218	571408124	/nfs/dbraw/zinc/40/81/24/571408124.db2.gz	PXMKHLAIRVBDNZ-REZTVBANSA-N	-1	0	521.121	4.657	40	30		KJEBRM
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c(C)c1	ZINC000106964058	1067214337	/nfs/dbraw/zinc/21/43/37/1067214337.db2.gz	ZARKFLBIPNITOZ-JCMHNJIXSA-N	-1	0	541.676	4.502	40	30		KJEBRM
COc1cc(/C=C2/S/C(=N/c3ccc(Br)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000107735428	571421060	/nfs/dbraw/zinc/42/10/60/571421060.db2.gz	QIMCEZRRRKDTIC-OVCLIPMQSA-N	-1	0	542.205	4.575	40	30		KJEBRM
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1	ZINC000109509874	571429445	/nfs/dbraw/zinc/42/94/45/571429445.db2.gz	HBBCTRXHEPIEOU-AWQFTUOYSA-N	-1	0	579.201	4.575	40	30		KJEBRM
[O-]c1c(Br)cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(Br)cc2)c(O)c1Br	ZINC000110054198	571430626	/nfs/dbraw/zinc/43/06/26/571430626.db2.gz	OJIKOWOSJIOTJR-MPUCSWFWSA-N	-1	0	600.025	4.901	40	30		KJEBRM
CCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC	ZINC000110729177	571431868	/nfs/dbraw/zinc/43/18/68/571431868.db2.gz	ACDSVIAVJFRPIR-HLNFITAXSA-N	-1	0	538.363	4.631	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000112264024	571437915	/nfs/dbraw/zinc/43/79/15/571437915.db2.gz	WQWXDEVTGWOXKF-ZDUSSCGKSA-N	-1	0	534.425	4.691	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000112264025	571437974	/nfs/dbraw/zinc/43/79/74/571437974.db2.gz	WQWXDEVTGWOXKF-CYBMUJFWSA-N	-1	0	534.425	4.691	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000112264270	571437917	/nfs/dbraw/zinc/43/79/17/571437917.db2.gz	HTKILWXGEJVSBH-NRFANRHFSA-N	-1	0	528.034	4.674	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000112264274	571437936	/nfs/dbraw/zinc/43/79/36/571437936.db2.gz	HTKILWXGEJVSBH-OAQYLSRUSA-N	-1	0	528.034	4.674	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000112264791	571438205	/nfs/dbraw/zinc/43/82/05/571438205.db2.gz	RDUIPWBIMNNZHY-NRFANRHFSA-N	-1	0	528.034	4.674	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000112264793	571438213	/nfs/dbraw/zinc/43/82/13/571438213.db2.gz	RDUIPWBIMNNZHY-OAQYLSRUSA-N	-1	0	528.034	4.674	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000112265694	571438582	/nfs/dbraw/zinc/43/85/82/571438582.db2.gz	FKEGFJKBVOACDP-ZDUSSCGKSA-N	-1	0	534.425	4.691	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl	ZINC000112265696	571438494	/nfs/dbraw/zinc/43/84/94/571438494.db2.gz	FKEGFJKBVOACDP-CYBMUJFWSA-N	-1	0	534.425	4.691	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918161	571444513	/nfs/dbraw/zinc/44/45/13/571444513.db2.gz	KGCTXKCLVFUXGT-KVJTVNGHSA-N	-1	0	630.786	4.937	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918162	571444436	/nfs/dbraw/zinc/44/44/36/571444436.db2.gz	KGCTXKCLVFUXGT-PVOREQMYSA-N	-1	0	630.786	4.937	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918163	571444475	/nfs/dbraw/zinc/44/44/75/571444475.db2.gz	KGCTXKCLVFUXGT-BMXXUPNDSA-N	-1	0	630.786	4.937	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918164	571444532	/nfs/dbraw/zinc/44/45/32/571444532.db2.gz	KGCTXKCLVFUXGT-UYBQFGSBSA-N	-1	0	630.786	4.937	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918241	571444619	/nfs/dbraw/zinc/44/46/19/571444619.db2.gz	QMTROCXDTJEAQE-BRKPRONCSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918242	571444606	/nfs/dbraw/zinc/44/46/06/571444606.db2.gz	QMTROCXDTJEAQE-ZVWKWZLCSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918243	571444597	/nfs/dbraw/zinc/44/45/97/571444597.db2.gz	QMTROCXDTJEAQE-ITBUMATGSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918244	571444573	/nfs/dbraw/zinc/44/45/73/571444573.db2.gz	QMTROCXDTJEAQE-VLIRSEPQSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918259	571444570	/nfs/dbraw/zinc/44/45/70/571444570.db2.gz	XILLHXCTVDJURI-ILFLUCGZSA-N	-1	0	595.693	4.738	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918260	571444621	/nfs/dbraw/zinc/44/46/21/571444621.db2.gz	XILLHXCTVDJURI-YSXAKKCMSA-N	-1	0	595.693	4.738	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918261	571444595	/nfs/dbraw/zinc/44/45/95/571444595.db2.gz	XILLHXCTVDJURI-GWRSSQHQSA-N	-1	0	595.693	4.738	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918262	571444564	/nfs/dbraw/zinc/44/45/64/571444564.db2.gz	XILLHXCTVDJURI-FKUQXJFQSA-N	-1	0	595.693	4.738	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918494	571444707	/nfs/dbraw/zinc/44/47/07/571444707.db2.gz	QYBSXKYHQWICLF-FAOURHBTSA-N	-1	0	518.654	4.628	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918495	571444665	/nfs/dbraw/zinc/44/46/65/571444665.db2.gz	QYBSXKYHQWICLF-TVBLOHDWSA-N	-1	0	518.654	4.628	40	30		KJEBRM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918700	571444979	/nfs/dbraw/zinc/44/49/79/571444979.db2.gz	ZIMARCRHCBMDKZ-UUMSTVJOSA-N	-1	0	610.704	4.725	40	30		KJEBRM
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918701	571444933	/nfs/dbraw/zinc/44/49/33/571444933.db2.gz	ZIMARCRHCBMDKZ-GVRNWNSVSA-N	-1	0	610.704	4.725	40	30		KJEBRM
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118918702	571444961	/nfs/dbraw/zinc/44/49/61/571444961.db2.gz	ZIMARCRHCBMDKZ-OPZJVFPDSA-N	-1	0	610.704	4.725	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918717	571444957	/nfs/dbraw/zinc/44/49/57/571444957.db2.gz	QDZHOVYHXGERTQ-KIDJFJDSSA-N	-1	0	568.755	4.851	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918718	571444968	/nfs/dbraw/zinc/44/49/68/571444968.db2.gz	QDZHOVYHXGERTQ-DNBKPKDXSA-N	-1	0	568.755	4.851	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918719	571444965	/nfs/dbraw/zinc/44/49/65/571444965.db2.gz	QDZHOVYHXGERTQ-YDSALUOCSA-N	-1	0	568.755	4.851	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918720	571444952	/nfs/dbraw/zinc/44/49/52/571444952.db2.gz	QDZHOVYHXGERTQ-NTMQOQLESA-N	-1	0	568.755	4.851	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918736	571444900	/nfs/dbraw/zinc/44/49/00/571444900.db2.gz	ANJVUOUTSWDMRC-AVUVDITHSA-N	-1	0	506.643	4.791	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118918737	571444947	/nfs/dbraw/zinc/44/49/47/571444947.db2.gz	NPOPXVKWJITPDM-KQWAFXPGSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118918738	571445046	/nfs/dbraw/zinc/44/50/46/571445046.db2.gz	NPOPXVKWJITPDM-IEHLEUJCSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118918739	571445092	/nfs/dbraw/zinc/44/50/92/571445092.db2.gz	NPOPXVKWJITPDM-LBSJUSKBSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118918740	571445084	/nfs/dbraw/zinc/44/50/84/571445084.db2.gz	NPOPXVKWJITPDM-RBXQSULKSA-N	-1	0	544.733	4.847	40	30		KJEBRM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918749	571445085	/nfs/dbraw/zinc/44/50/85/571445085.db2.gz	ZYADXQOYYTYVCC-ZUMUVRDASA-N	-1	0	542.717	4.649	40	30		KJEBRM
CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918796	571445048	/nfs/dbraw/zinc/44/50/48/571445048.db2.gz	LTTOESVXABLSII-DRUSAINKSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC(C)C[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918797	571445095	/nfs/dbraw/zinc/44/50/95/571445095.db2.gz	LTTOESVXABLSII-AFVNKVQTSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC(C)C[C@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918798	571445027	/nfs/dbraw/zinc/44/50/27/571445027.db2.gz	LTTOESVXABLSII-IWIWXMQLSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC(C)C[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918799	571445072	/nfs/dbraw/zinc/44/50/72/571445072.db2.gz	LTTOESVXABLSII-QGTKFOFDSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC[C@@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918807	571445023	/nfs/dbraw/zinc/44/50/23/571445023.db2.gz	DLEAMLICSMSRRZ-ZNOPXKBOSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918808	571445093	/nfs/dbraw/zinc/44/50/93/571445093.db2.gz	DLEAMLICSMSRRZ-NPYFFCMUSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918809	571445003	/nfs/dbraw/zinc/44/50/03/571445003.db2.gz	DLEAMLICSMSRRZ-SVUVGSKYSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CC[C@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918810	571445058	/nfs/dbraw/zinc/44/50/58/571445058.db2.gz	DLEAMLICSMSRRZ-RMXVZFRUSA-N	-1	0	501.664	4.826	40	30		KJEBRM
CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918815	571445097	/nfs/dbraw/zinc/44/50/97/571445097.db2.gz	HDTPISZMYXBJDM-JKYHKDTMSA-N	-1	0	519.704	4.533	40	30		KJEBRM
CSCC[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918816	571445070	/nfs/dbraw/zinc/44/50/70/571445070.db2.gz	HDTPISZMYXBJDM-XGAXISHBSA-N	-1	0	519.704	4.533	40	30		KJEBRM
CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000118918817	571445050	/nfs/dbraw/zinc/44/50/50/571445050.db2.gz	HDTPISZMYXBJDM-QWKWTBSPSA-N	-1	0	519.704	4.533	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918877	571445217	/nfs/dbraw/zinc/44/52/17/571445217.db2.gz	QOXQKEFDMRHFRC-YFYRHXSXSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918878	571445202	/nfs/dbraw/zinc/44/52/02/571445202.db2.gz	QOXQKEFDMRHFRC-HNMBSAQKSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918879	571445147	/nfs/dbraw/zinc/44/51/47/571445147.db2.gz	QOXQKEFDMRHFRC-WMSCYLDFSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918880	571445188	/nfs/dbraw/zinc/44/51/88/571445188.db2.gz	QOXQKEFDMRHFRC-GOAGPIFNSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918903	571445340	/nfs/dbraw/zinc/44/53/40/571445340.db2.gz	NTTXCEDJMLRTGI-DDWKOPMASA-N	-1	0	512.691	4.856	40	30		KJEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCc5ccc(C(=O)[O-])cc5)C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918923	571445329	/nfs/dbraw/zinc/44/53/29/571445329.db2.gz	BFCOXYSQFYFQOO-XDFILRCSSA-N	-1	0	506.643	4.863	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6cc(O)ccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919095	571445555	/nfs/dbraw/zinc/44/55/55/571445555.db2.gz	CLJHTAZTBIYJPD-YUGVZXAJSA-N	-1	0	587.717	4.685	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5c[nH]c6cc(O)ccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919096	571445568	/nfs/dbraw/zinc/44/55/68/571445568.db2.gz	CLJHTAZTBIYJPD-ZWVNYEITSA-N	-1	0	587.717	4.685	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6cc(O)ccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919097	571445520	/nfs/dbraw/zinc/44/55/20/571445520.db2.gz	CLJHTAZTBIYJPD-NUMIMDHJSA-N	-1	0	587.717	4.685	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](Cc5c[nH]c6cc(O)ccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919098	571445565	/nfs/dbraw/zinc/44/55/65/571445565.db2.gz	CLJHTAZTBIYJPD-DJOWLIGZSA-N	-1	0	587.717	4.685	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921210	571446256	/nfs/dbraw/zinc/44/62/56/571446256.db2.gz	QOXQKEFDMRHFRC-GTSLHGEBSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921211	571446341	/nfs/dbraw/zinc/44/63/41/571446341.db2.gz	QOXQKEFDMRHFRC-QKKFMKNASA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921212	571446265	/nfs/dbraw/zinc/44/62/65/571446265.db2.gz	BGBWJCDYVIPQIF-JJIFQMJOSA-N	-1	0	571.718	4.980	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921214	571446270	/nfs/dbraw/zinc/44/62/70/571446270.db2.gz	BGBWJCDYVIPQIF-JFGGTEONSA-N	-1	0	571.718	4.980	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118921695	571446374	/nfs/dbraw/zinc/44/63/74/571446374.db2.gz	XILLHXCTVDJURI-MTAFVDMKSA-N	-1	0	595.693	4.738	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118921701	571446445	/nfs/dbraw/zinc/44/64/45/571446445.db2.gz	XILLHXCTVDJURI-UKOWSWCDSA-N	-1	0	595.693	4.738	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118921703	571446436	/nfs/dbraw/zinc/44/64/36/571446436.db2.gz	QMTROCXDTJEAQE-BSJKFVMMSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118921704	571446388	/nfs/dbraw/zinc/44/63/88/571446388.db2.gz	QMTROCXDTJEAQE-FXMHYHJJSA-N	-1	0	550.696	4.830	40	30		KJEBRM
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921760	571446415	/nfs/dbraw/zinc/44/64/15/571446415.db2.gz	VWSZLHHWCXFMLO-XDNVDSROSA-N	-1	0	586.770	4.807	40	30		KJEBRM
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118921761	571446372	/nfs/dbraw/zinc/44/63/72/571446372.db2.gz	VWSZLHHWCXFMLO-LVEFSNHWSA-N	-1	0	586.770	4.807	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118933416	571447733	/nfs/dbraw/zinc/44/77/33/571447733.db2.gz	NPOPXVKWJITPDM-BDBFTWRPSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118933417	571447718	/nfs/dbraw/zinc/44/77/18/571447718.db2.gz	NPOPXVKWJITPDM-HJHAOYRYSA-N	-1	0	544.733	4.847	40	30		KJEBRM
CCCC[C@H](NC(=O)[C@H](C)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000118934106	571447764	/nfs/dbraw/zinc/44/77/64/571447764.db2.gz	QUDYJUDXMKCRBJ-HKBDABDVSA-N	-1	0	571.759	4.791	40	30		KJEBRM
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-]	ZINC000118934107	571447721	/nfs/dbraw/zinc/44/77/21/571447721.db2.gz	QUDYJUDXMKCRBJ-UNZPWPINSA-N	-1	0	571.759	4.791	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118934122	571447703	/nfs/dbraw/zinc/44/77/03/571447703.db2.gz	QDZHOVYHXGERTQ-OUCNNWNUSA-N	-1	0	568.755	4.851	40	30		KJEBRM
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118934123	571447693	/nfs/dbraw/zinc/44/76/93/571447693.db2.gz	QDZHOVYHXGERTQ-OIKDKZCFSA-N	-1	0	568.755	4.851	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118934125	571447858	/nfs/dbraw/zinc/44/78/58/571447858.db2.gz	NPOPXVKWJITPDM-CHAQYPHXSA-N	-1	0	544.733	4.847	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150344363	571459274	/nfs/dbraw/zinc/45/92/74/571459274.db2.gz	KQOPKFIJUXNNOY-FVDFSCJTSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150344365	571459328	/nfs/dbraw/zinc/45/93/28/571459328.db2.gz	KQOPKFIJUXNNOY-SOZRYRDQSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150344368	571459284	/nfs/dbraw/zinc/45/92/84/571459284.db2.gz	KQOPKFIJUXNNOY-KGBUYCOTSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150344370	571459303	/nfs/dbraw/zinc/45/93/03/571459303.db2.gz	KQOPKFIJUXNNOY-YTCWZVSFSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000150344900	571459619	/nfs/dbraw/zinc/45/96/19/571459619.db2.gz	IDSULYHNJGZXKY-FDFNKLRWSA-N	-1	0	706.877	4.631	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I	ZINC000150371127	571465817	/nfs/dbraw/zinc/46/58/17/571465817.db2.gz	ZYFRUOTYRWTSLC-RIYZIHGNSA-N	-1	0	679.046	4.890	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1I	ZINC000150371130	571465822	/nfs/dbraw/zinc/46/58/22/571465822.db2.gz	ZYFRUOTYRWTSLC-ZSOIEALJSA-N	-1	0	679.046	4.890	40	30		KJEBRM
Cc1cccc(OS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Oc4cccc(C)c4)cc2[N+](=O)[O-])C3=N[O-])c1	ZINC000150378646	571466761	/nfs/dbraw/zinc/46/67/61/571466761.db2.gz	ZMOQTJSLICLHBA-UHFFFAOYSA-N	-1	0	625.593	4.862	40	30		KJEBRM
COc1c(I)cc(I)cc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000150382498	571467240	/nfs/dbraw/zinc/46/72/40/571467240.db2.gz	GWQOANWSCFMQQU-LJLXHGTCSA-N	-1	0	620.206	4.836	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	ZINC000150384473	571468377	/nfs/dbraw/zinc/46/83/77/571468377.db2.gz	AMZRHBGPMXZKLM-CXUHLZMHSA-N	-1	0	628.204	4.744	40	30		KJEBRM
Cc1cc(N(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O)ccc1/C=N\c1cc(Br)c([O-])c(Br)c1	ZINC000150384900	571468496	/nfs/dbraw/zinc/46/84/96/571468496.db2.gz	IUGYHZRALCAFMQ-MYYYXRDXSA-N	-1	0	656.415	4.515	40	30		KJEBRM
Cc1cc(N(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O)ccc1/C=N/c1cc(Br)c([O-])c(Br)c1	ZINC000150384901	571468488	/nfs/dbraw/zinc/46/84/88/571468488.db2.gz	IUGYHZRALCAFMQ-MFKUBSTISA-N	-1	0	656.415	4.515	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150398589	571477349	/nfs/dbraw/zinc/47/73/49/571477349.db2.gz	KQOPKFIJUXNNOY-LZJWWEKYSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000150398592	571477311	/nfs/dbraw/zinc/47/73/11/571477311.db2.gz	KQOPKFIJUXNNOY-NMMQQZMKSA-N	-1	0	667.888	4.992	40	30		KJEBRM
Cc1c(/N=C2\S/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000150404464	571479031	/nfs/dbraw/zinc/47/90/31/571479031.db2.gz	LARWGEOULOJNRL-ZLCNNBNPSA-N	-1	0	637.678	4.705	40	30		KJEBRM
C=CCOc1c(I)cc(I)cc1/C=C1/C(=O)[N-]N(c2ccc(I)cc2)C1=O	ZINC000150412268	571484394	/nfs/dbraw/zinc/48/43/94/571484394.db2.gz	UNQYFMZNMSRKNW-DHDCSXOGSA-N	-1	0	698.036	4.527	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1I	ZINC000164345081	571546106	/nfs/dbraw/zinc/54/61/06/571546106.db2.gz	NYAZQYLAUUVXQC-MHWRWJLKSA-N	-1	0	688.256	4.924	40	30		KJEBRM
N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000164350146	571546287	/nfs/dbraw/zinc/54/62/87/571546287.db2.gz	RGOXYNJRLZEXJX-UFWORHAWSA-N	-1	0	719.229	4.742	40	30		KJEBRM
C=CCOc1c(I)cc(I)cc1/C=C1\C(=O)[N-]N(c2ccc(I)cc2)C1=O	ZINC000164727292	571550976	/nfs/dbraw/zinc/55/09/76/571550976.db2.gz	UNQYFMZNMSRKNW-OQLLNIDSSA-N	-1	0	698.036	4.527	40	30		KJEBRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000169748431	1066470078	/nfs/dbraw/zinc/47/00/78/1066470078.db2.gz	BHHKBYFDFSIXJN-WVNSURRVSA-N	-1	0	500.676	4.562	40	30		KJEBRM
CN=C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2	ZINC000201406803	571569302	/nfs/dbraw/zinc/56/93/02/571569302.db2.gz	JAUPJPAADXVUGQ-GDLZYMKVSA-N	-1	0	662.809	4.951	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000204880254	571569405	/nfs/dbraw/zinc/56/94/05/571569405.db2.gz	KQOPKFIJUXNNOY-QBDJRPHHSA-N	-1	0	667.888	4.992	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000204880276	571569436	/nfs/dbraw/zinc/56/94/36/571569436.db2.gz	KQOPKFIJUXNNOY-LAKYYTEHSA-N	-1	0	667.888	4.992	40	30		KJEBRM
CN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1=CC=CC1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C	ZINC000205997439	571572148	/nfs/dbraw/zinc/57/21/48/571572148.db2.gz	VPXBTKGDPSNVSM-UHFFFAOYSA-O	-1	0	714.839	4.592	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000217338653	571600736	/nfs/dbraw/zinc/60/07/36/571600736.db2.gz	QOXQKEFDMRHFRC-XXSQUKMVSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000217338737	571600699	/nfs/dbraw/zinc/60/06/99/571600699.db2.gz	QOXQKEFDMRHFRC-CTAYEYEGSA-N	-1	0	631.814	4.639	40	30		KJEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)s1	ZINC000225795503	572070021	/nfs/dbraw/zinc/07/00/21/572070021.db2.gz	NWCAUWHUGAIHKZ-UHFFFAOYSA-N	-1	0	511.075	4.695	40	30		KJEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)s1	ZINC000225808649	572073689	/nfs/dbraw/zinc/07/36/89/572073689.db2.gz	QOQOZCIMPXITBI-UHFFFAOYSA-N	-1	0	511.075	4.695	40	30		KJEBRM
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(Br)c1	ZINC000261362357	572104216	/nfs/dbraw/zinc/10/42/16/572104216.db2.gz	IRCNELXHZOZFSR-KRWDZBQOSA-O	-1	0	523.230	4.618	40	30		KJEBRM
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c([O-])c(Br)c1	ZINC000261362358	572104121	/nfs/dbraw/zinc/10/41/21/572104121.db2.gz	IRCNELXHZOZFSR-QGZVFWFLSA-O	-1	0	523.230	4.618	40	30		KJEBRM
CC[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)Nc1c(O)c2c([O-])c(C)c3c(c2c(O)c1/C=N/N1CCN(C)CC1)C(=O)[C@@](C)(O/C=C/[C@@H](C[C@H](C)OC(C)=O)OC)O3	ZINC000263583694	572114856	/nfs/dbraw/zinc/11/48/56/572114856.db2.gz	UBECSYVSWIAKFP-IMUOSIQFSA-N	-1	0	824.969	4.870	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@H]3C)[C@H](C)[C@H](O)[C@@H]1C)C2=O	ZINC000263600325	1066514598	/nfs/dbraw/zinc/51/45/98/1066514598.db2.gz	JWNUYZCPHVRVHJ-FKNQPHKDSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@H]3C)[C@H](C)[C@H](O)[C@H]1C)C2=O	ZINC000263600326	1066514640	/nfs/dbraw/zinc/51/46/40/1066514640.db2.gz	JWNUYZCPHVRVHJ-HZPUJKJVSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@H](C)[C@H](O)[C@H]1C)C2=O	ZINC000263600327	1066514534	/nfs/dbraw/zinc/51/45/34/1066514534.db2.gz	JWNUYZCPHVRVHJ-VCKGHBKLSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@H](C)[C@H](O)[C@@H]1C)C2=O	ZINC000263600328	1066514576	/nfs/dbraw/zinc/51/45/76/1066514576.db2.gz	JWNUYZCPHVRVHJ-WNKXEOMWSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@@H]1C)C2=O	ZINC000263607646	1066514974	/nfs/dbraw/zinc/51/49/74/1066514974.db2.gz	SEJPVDHBDVWGKK-KAEWOUDQSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@H]1C)C2=O	ZINC000263607647	1066515041	/nfs/dbraw/zinc/51/50/41/1066515041.db2.gz	SEJPVDHBDVWGKK-WJPQSLDGSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@H]3C)[C@@H]1C)C2=O	ZINC000263607648	1066514950	/nfs/dbraw/zinc/51/49/50/1066514950.db2.gz	SEJPVDHBDVWGKK-XYLBDMSTSA-N	-1	0	693.790	4.858	40	30		KJEBRM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H]3OC(C)(C)O[C@H]([C@H]3C)[C@H]1C)C2=O	ZINC000263607649	1066515007	/nfs/dbraw/zinc/51/50/07/1066515007.db2.gz	SEJPVDHBDVWGKK-ZFNRQPRRSA-N	-1	0	693.790	4.858	40	30		KJEBRM
O=C(CCCCCCCCCCc1c2ccccc2nc2ccccc21)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000307761602	572145628	/nfs/dbraw/zinc/14/56/28/572145628.db2.gz	GBZQVAMEEFKXNH-RUZDIDTESA-N	-1	0	540.638	4.915	40	30		KJEBRM
O=C(CCCCCCCCCCc1c2ccccc2nc2ccccc21)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000307761603	572145480	/nfs/dbraw/zinc/14/54/80/572145480.db2.gz	GBZQVAMEEFKXNH-VWLOTQADSA-N	-1	0	540.638	4.915	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc1	ZINC000408528486	572164707	/nfs/dbraw/zinc/16/47/07/572164707.db2.gz	FEWZYOCRLBIMNA-NVNXTCNLSA-N	-1	0	526.206	4.875	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br	ZINC000408530749	572172814	/nfs/dbraw/zinc/17/28/14/572172814.db2.gz	NGAKSPRWDKDRKY-ZSOIEALJSA-N	-1	0	512.179	4.567	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408531381	572175656	/nfs/dbraw/zinc/17/56/56/572175656.db2.gz	PQYGRIFOWJAHOP-SXGWCWSVSA-N	-1	0	511.781	4.856	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O	ZINC000408533585	572184088	/nfs/dbraw/zinc/18/40/88/572184088.db2.gz	ZFRGXMOTVSEBQD-AUWJEWJLSA-N	-1	0	512.179	4.567	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCC(=O)[O-])S2)cc1	ZINC000408534752	572187147	/nfs/dbraw/zinc/18/71/47/572187147.db2.gz	WMWCIZVRVXQYCF-CHHVJCJISA-N	-1	0	526.206	4.875	40	30		KJEBRM
CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000408538488	572198713	/nfs/dbraw/zinc/19/87/13/572198713.db2.gz	NTRKGZGAVJNFRL-XLNRJJMWSA-N	-1	0	508.571	4.888	40	30		KJEBRM
CCCCCCCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000408539776	572203302	/nfs/dbraw/zinc/20/33/02/572203302.db2.gz	YVPWMCNSFJHIDN-UHFFFAOYSA-N	-1	0	502.203	4.700	40	30		KJEBRM
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1cc(Br)ccc1O	ZINC000408543249	572212329	/nfs/dbraw/zinc/21/23/29/572212329.db2.gz	NRBQZSZJHRXPJY-UHFFFAOYSA-N	-1	0	523.796	4.682	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408552682	572239113	/nfs/dbraw/zinc/23/91/13/572239113.db2.gz	URGURPJUTWHJRK-LFVJCYFKSA-N	-1	0	550.633	4.750	40	30		KJEBRM
O=C(C1=C(O)C(=Cc2cc(I)c([O-])c(I)c2)CC1)C(F)(F)F	ZINC000408563898	572249868	/nfs/dbraw/zinc/24/98/68/572249868.db2.gz	RWDUBELSBWASBT-BPVQJAMASA-N	-1	0	536.025	4.722	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC000408594109	572269502	/nfs/dbraw/zinc/26/95/02/572269502.db2.gz	SFZBSFXTQOHMMV-DJKKODMXSA-N	-1	0	505.354	4.677	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408595982	572270649	/nfs/dbraw/zinc/27/06/49/572270649.db2.gz	YLEMKAWMNPRICP-VXLYETTFSA-N	-1	0	505.354	4.677	40	30		KJEBRM
C=CCOc1c(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000408630499	572286189	/nfs/dbraw/zinc/28/61/89/572286189.db2.gz	AOGDJWSSGZNRQP-GIJQJNRQSA-N	-1	0	518.935	4.833	40	30		KJEBRM
CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408630541	572286295	/nfs/dbraw/zinc/28/62/95/572286295.db2.gz	BGZBXZIKBMKVDM-ZDLGFXPLSA-N	-1	0	562.389	4.649	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OC	ZINC000408631313	572287457	/nfs/dbraw/zinc/28/74/57/572287457.db2.gz	DGUROKWYEIODLB-NHDPSOOVSA-N	-1	0	621.453	4.825	40	30		KJEBRM
C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)[O-]	ZINC000408631394	572287428	/nfs/dbraw/zinc/28/74/28/572287428.db2.gz	DQSUOEFQGZCMPO-ODLFYWEKSA-N	-1	0	517.357	4.746	40	30		KJEBRM
CCc1nnc(S/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C(=O)[O-])o1	ZINC000408631447	572287605	/nfs/dbraw/zinc/28/76/05/572287605.db2.gz	JEQHJJYEHPDQED-ZDLGFXPLSA-N	-1	0	563.373	4.914	40	30		KJEBRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(I)c1OCc1ccccc1C#N	ZINC000408631526	572287735	/nfs/dbraw/zinc/28/77/35/572287735.db2.gz	KAWBTTKHLOGVST-NVMNQCDNSA-N	-1	0	549.346	4.660	40	30		KJEBRM
C=CCOc1c(I)cc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc1I	ZINC000408631650	572287807	/nfs/dbraw/zinc/28/78/07/572287807.db2.gz	KYYOWBPWFSUFHB-LCYFTJDESA-N	-1	0	597.216	4.749	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OC	ZINC000408631907	572288154	/nfs/dbraw/zinc/28/81/54/572288154.db2.gz	HCOVCQJECVMLCC-OCKHKDLRSA-N	-1	0	594.383	4.597	40	30		KJEBRM
C#CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OCC	ZINC000408632561	572288960	/nfs/dbraw/zinc/28/89/60/572288960.db2.gz	JQGLWGFDFHBZET-QRVIBDJDSA-N	-1	0	509.584	4.611	40	30		KJEBRM
C#CCOc1c(I)cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1OC	ZINC000408632668	572289170	/nfs/dbraw/zinc/28/91/70/572289170.db2.gz	GQOSQCCAFPPBFW-BOPFTXTBSA-N	-1	0	567.792	4.968	40	30		KJEBRM
C#CCOc1c(I)cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OC	ZINC000408632910	572289386	/nfs/dbraw/zinc/28/93/86/572289386.db2.gz	VAJKAULFRDECQH-ZDLGFXPLSA-N	-1	0	597.818	4.977	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1OC	ZINC000408633221	572289946	/nfs/dbraw/zinc/28/99/46/572289946.db2.gz	JBMXVXTYNYWLLQ-BOPFTXTBSA-N	-1	0	507.305	4.671	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cc1I	ZINC000408633408	572290059	/nfs/dbraw/zinc/29/00/59/572290059.db2.gz	YFAYCCLKPNJCBU-WQLSENKSSA-N	-1	0	584.173	4.624	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1OC	ZINC000408633658	572290412	/nfs/dbraw/zinc/29/04/12/572290412.db2.gz	OKAASZZLBHGWAU-NHDPSOOVSA-N	-1	0	530.002	4.874	40	30		KJEBRM
C#CCOc1c(Cl)cc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1OCC	ZINC000408633953	572290837	/nfs/dbraw/zinc/29/08/37/572290837.db2.gz	QHIVNIUMSHQVAK-JMIUGGIZSA-N	-1	0	515.975	4.771	40	30		KJEBRM
C=CCOc1c(/C=C(/Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000408634049	572291000	/nfs/dbraw/zinc/29/10/00/572291000.db2.gz	RJVOFMWXGLVVFI-CIAFOILYSA-N	-1	0	542.570	4.682	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OC	ZINC000408634151	572291099	/nfs/dbraw/zinc/29/10/99/572291099.db2.gz	RNPKCMPUFYNADD-OCKHKDLRSA-N	-1	0	502.932	4.646	40	30		KJEBRM
C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)n1CC)C(=O)[O-]	ZINC000408634202	572291044	/nfs/dbraw/zinc/29/10/44/572291044.db2.gz	RZUPZSCLVFEWAN-BKUYFWCQSA-N	-1	0	544.427	4.975	40	30		KJEBRM
COc1ccc(C(=O)/C=C/c2cc(I)c([O-])c(I)c2)cc1	ZINC000408669665	572314138	/nfs/dbraw/zinc/31/41/38/572314138.db2.gz	RTGMAAZFYYLVRY-FARCUNLSSA-N	-1	0	506.077	4.506	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000408692561	1066535652	/nfs/dbraw/zinc/53/56/52/1066535652.db2.gz	PIVAXXOXHPNRJD-RGVLZGJSSA-N	-1	0	538.398	4.703	40	30		KJEBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000408692567	1066535481	/nfs/dbraw/zinc/53/54/81/1066535481.db2.gz	PMGCIVCHJQGHDR-JVWAILMASA-N	-1	0	508.578	4.949	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000408693868	1066533594	/nfs/dbraw/zinc/53/35/94/1066533594.db2.gz	ACUWNVDUJUQAJK-RGVLZGJSSA-N	-1	0	585.398	4.545	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000408693902	1066533663	/nfs/dbraw/zinc/53/36/63/1066533663.db2.gz	AXOVFICPOYPKFZ-RGVLZGJSSA-N	-1	0	538.398	4.703	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408695128	1066531330	/nfs/dbraw/zinc/53/13/30/1066531330.db2.gz	QFSSNNOKLROFKD-HZHRSRAPSA-N	-1	0	519.554	4.705	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408695367	1066530054	/nfs/dbraw/zinc/53/00/54/1066530054.db2.gz	SNUMDBGRNBFDAS-HZHRSRAPSA-N	-1	0	519.554	4.705	40	30		KJEBRM
COc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2O)S1	ZINC000408720612	1066562014	/nfs/dbraw/zinc/56/20/14/1066562014.db2.gz	AEZJFTAMNZDHIO-GHXNOFRVSA-N	-1	0	500.168	4.523	40	30		KJEBRM
COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])ccc1O	ZINC000408721052	1066561978	/nfs/dbraw/zinc/56/19/78/1066561978.db2.gz	JECMVEHLBCQRSS-NUGSKGIGSA-N	-1	0	528.275	4.751	40	30		KJEBRM
[O-]c1c(I)cc(C=NNc2nc3ccccc3s2)cc1I	ZINC000408721892	1066561347	/nfs/dbraw/zinc/56/13/47/1066561347.db2.gz	BDGIFQFTPMPKPB-REZTVBANSA-N	-1	0	521.121	4.657	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000408722605	1066561232	/nfs/dbraw/zinc/56/12/32/1066561232.db2.gz	LZNAXECVILIGJV-RIYZIHGNSA-N	-1	0	650.663	4.945	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000408723062	1066561490	/nfs/dbraw/zinc/56/14/90/1066561490.db2.gz	QADJBMSDOBOEQQ-OVCLIPMQSA-N	-1	0	507.793	4.507	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000408723148	1066561300	/nfs/dbraw/zinc/56/13/00/1066561300.db2.gz	QRRHVYIWTUWODC-MHWRWJLKSA-N	-1	0	568.820	4.739	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC	ZINC000408723235	1066561199	/nfs/dbraw/zinc/56/11/99/1066561199.db2.gz	RRAMICNAMPZDHP-CXUHLZMHSA-N	-1	0	521.820	4.897	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1I	ZINC000408723255	1066560693	/nfs/dbraw/zinc/56/06/93/1066560693.db2.gz	SDVSYBPNIYUQMY-VGOFMYFVSA-N	-1	0	650.663	4.945	40	30		KJEBRM
[O-]c1c(Br)cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Br	ZINC000408727009	1066559630	/nfs/dbraw/zinc/55/96/30/1066559630.db2.gz	OEZWPSFCAHHNKF-ZMOGYAJESA-N	-1	0	547.255	4.704	40	30		KJEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)S1	ZINC000408738426	1066572830	/nfs/dbraw/zinc/57/28/30/1066572830.db2.gz	KQJDDJLBLMPSFG-AUWJEWJLSA-N	-1	0	515.716	4.758	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)S2)cc1Cl	ZINC000408738587	1066572812	/nfs/dbraw/zinc/57/28/12/1066572812.db2.gz	MFTZUBWYVLNMCF-NSIKDUERSA-N	-1	0	515.716	4.758	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Br	ZINC000408739377	1066571811	/nfs/dbraw/zinc/57/18/11/1066571811.db2.gz	BHRVVMSDZJLANX-DHDCSXOGSA-N	-1	0	520.177	4.751	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000408739409	1066571969	/nfs/dbraw/zinc/57/19/69/1066571969.db2.gz	BOPKCUPEXQTRTN-UDWIEESQSA-N	-1	0	502.324	4.566	40	30		KJEBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1	ZINC000408739637	1066571345	/nfs/dbraw/zinc/57/13/45/1066571345.db2.gz	DMUKPJFXRUARAV-LPYMAVHISA-N	-1	0	546.377	4.965	40	30		KJEBRM
O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000408740002	1066576307	/nfs/dbraw/zinc/57/63/07/1066576307.db2.gz	CJBQCEPRIHTKKN-MLPAPPSSSA-N	-1	0	546.140	4.559	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408740606	1066575504	/nfs/dbraw/zinc/57/55/04/1066575504.db2.gz	HJEIKGRACLEOTI-OQLLNIDSSA-N	-1	0	566.271	4.925	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1OC	ZINC000408740824	1066575812	/nfs/dbraw/zinc/57/58/12/1066575812.db2.gz	IGVXUEDJUBVMPT-OVCLIPMQSA-N	-1	0	552.244	4.616	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c([O-])c(I)c3)S2)cc1	ZINC000408740854	1066575764	/nfs/dbraw/zinc/57/57/64/1066575764.db2.gz	IQPJRVSURCGEOI-DHDCSXOGSA-N	-1	0	592.196	4.892	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(OCC)c1OC	ZINC000408741022	1066574840	/nfs/dbraw/zinc/57/48/40/1066574840.db2.gz	JHHNQMCIQURRHI-LDADJPATSA-N	-1	0	515.429	4.725	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc1I	ZINC000408741525	1066575079	/nfs/dbraw/zinc/57/50/79/1066575079.db2.gz	QHAYWQIRVMMOEP-CXUHLZMHSA-N	-1	0	660.271	4.691	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1Br	ZINC000408741684	1066574963	/nfs/dbraw/zinc/57/49/63/1066574963.db2.gz	RNHOHPLCTDEGJB-YBEGLDIGSA-N	-1	0	550.203	4.842	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408741693	1066575174	/nfs/dbraw/zinc/57/51/74/1066575174.db2.gz	NIAZLQQRQOLFGM-DHDCSXOGSA-N	-1	0	613.271	4.767	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000408742158	1066574253	/nfs/dbraw/zinc/57/42/53/1066574253.db2.gz	PSOXERJQBDTOSG-WSDLNYQXSA-N	-1	0	518.392	4.731	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1I	ZINC000408742447	1066574192	/nfs/dbraw/zinc/57/41/92/1066574192.db2.gz	QZOKWILQJPRNEO-OQLLNIDSSA-N	-1	0	630.245	4.600	40	30		KJEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)cc1	ZINC000408742678	1066574301	/nfs/dbraw/zinc/57/43/01/1066574301.db2.gz	XSAHFYTUBPZPKL-CIAFOILYSA-N	-1	0	532.350	4.575	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1Br	ZINC000408744250	1066573623	/nfs/dbraw/zinc/57/36/23/1066573623.db2.gz	ZFABRDMEBMNFNG-DHDCSXOGSA-N	-1	0	536.245	4.916	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748281	1066583783	/nfs/dbraw/zinc/58/37/83/1066583783.db2.gz	BHUGQKUEFRJHBG-FRKPEAEDSA-N	-1	0	603.778	4.607	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408748300	1066583684	/nfs/dbraw/zinc/58/36/84/1066583684.db2.gz	BNJWPEPXOSDDJW-CXUHLZMHSA-N	-1	0	556.232	4.965	40	30		KJEBRM
COc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748342	1066583661	/nfs/dbraw/zinc/58/36/61/1066583661.db2.gz	CCTKTVUQLGZBMP-GIDUJCDVSA-N	-1	0	579.199	4.962	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748399	1066583672	/nfs/dbraw/zinc/58/36/72/1066583672.db2.gz	CWZIXILLUNMKNC-FRKPEAEDSA-N	-1	0	648.229	4.716	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748509	1066583377	/nfs/dbraw/zinc/58/33/77/1066583377.db2.gz	DGLNCVALVIIAHM-LZYBPNLTSA-N	-1	0	558.781	4.698	40	30		KJEBRM
O=C([O-])COc1cc(Br)ccc1/C=C1/SC(=Nc2ccccc2Br)NC1=O	ZINC000408748514	1066583288	/nfs/dbraw/zinc/58/32/88/1066583288.db2.gz	DHVVFAFTSSGOER-VIZOYTHASA-N	-1	0	512.179	4.567	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Br)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408748568	1066583177	/nfs/dbraw/zinc/58/31/77/1066583177.db2.gz	FGSLKFFPIODFGQ-FRKPEAEDSA-N	-1	0	601.229	4.874	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748599	1066583772	/nfs/dbraw/zinc/58/37/72/1066583772.db2.gz	FVGJPPBKLAFVHB-CXUHLZMHSA-N	-1	0	650.232	4.650	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408748647	1066583653	/nfs/dbraw/zinc/58/36/53/1066583653.db2.gz	FYWKFSRDLMOLHJ-FRKPEAEDSA-N	-1	0	603.778	4.607	40	30		KJEBRM
O=C([O-])COc1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1Br	ZINC000408748703	1066583244	/nfs/dbraw/zinc/58/32/44/1066583244.db2.gz	GQWYNVIAXCXXMQ-OVCLIPMQSA-N	-1	0	512.179	4.567	40	30		KJEBRM
Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(Br)c2)S1	ZINC000408748806	1066583300	/nfs/dbraw/zinc/58/33/00/1066583300.db2.gz	HTTOXPZUGOXPCZ-VIZOYTHASA-N	-1	0	571.203	4.783	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408748822	1066583204	/nfs/dbraw/zinc/58/32/04/1066583204.db2.gz	ICRAOAXMJOLPIT-FRKPEAEDSA-N	-1	0	556.778	4.764	40	30		KJEBRM
O=C([O-])COc1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1Br	ZINC000408749062	1066583368	/nfs/dbraw/zinc/58/33/68/1066583368.db2.gz	KULIPIKCJNZIOZ-OVCLIPMQSA-N	-1	0	512.179	4.567	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(I)cc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2I)cc1	ZINC000408749482	1066582808	/nfs/dbraw/zinc/58/28/08/1066582808.db2.gz	HHQVVRXNVGHCNA-OPVMPGTRSA-N	-1	0	644.163	4.922	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749486	1066582693	/nfs/dbraw/zinc/58/26/93/1066582693.db2.gz	PKEKVQPUKSOFFS-LZYBPNLTSA-N	-1	0	603.232	4.807	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749500	1066582876	/nfs/dbraw/zinc/58/28/76/1066582876.db2.gz	PQYGRIFOWJAHOP-CXUHLZMHSA-N	-1	0	511.781	4.856	40	30		KJEBRM
COc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749563	1066582832	/nfs/dbraw/zinc/58/28/32/1066582832.db2.gz	QPVLQCKITORAAO-GIDUJCDVSA-N	-1	0	579.199	4.962	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749727	1066582388	/nfs/dbraw/zinc/58/23/88/1066582388.db2.gz	SMBHXEJCEXKFRP-CXUHLZMHSA-N	-1	0	558.781	4.698	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749754	1066582728	/nfs/dbraw/zinc/58/27/28/1066582728.db2.gz	SYJXNLIUAXPNFI-CXUHLZMHSA-N	-1	0	650.232	4.650	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749759	1066582682	/nfs/dbraw/zinc/58/26/82/1066582682.db2.gz	TVHTWOSAMSQBOD-CXUHLZMHSA-N	-1	0	603.232	4.807	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749787	1066582893	/nfs/dbraw/zinc/58/28/93/1066582893.db2.gz	UIGALOIMOXNWFU-LZYBPNLTSA-N	-1	0	511.781	4.856	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749898	1066582255	/nfs/dbraw/zinc/58/22/55/1066582255.db2.gz	USRINIDNELAZCY-LZYBPNLTSA-N	-1	0	650.232	4.650	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749937	1066582287	/nfs/dbraw/zinc/58/22/87/1066582287.db2.gz	VDVAKKGEAZAGIZ-CXUHLZMHSA-N	-1	0	603.232	4.807	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408749970	1066582340	/nfs/dbraw/zinc/58/23/40/1066582340.db2.gz	VPBIWOUXCYOUPF-CXUHLZMHSA-N	-1	0	603.232	4.807	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749975	1066582324	/nfs/dbraw/zinc/58/23/24/1066582324.db2.gz	VRMIGUSWTDAUAO-CXUHLZMHSA-N	-1	0	603.232	4.807	40	30		KJEBRM
COc1cc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408749982	1066582302	/nfs/dbraw/zinc/58/23/02/1066582302.db2.gz	VTKOELWINNWVRS-OVCLIPMQSA-N	-1	0	542.205	4.575	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408750060	1066582270	/nfs/dbraw/zinc/58/22/70/1066582270.db2.gz	WYLCBLNAIGZMPN-FRKPEAEDSA-N	-1	0	556.778	4.764	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408750229	1066582371	/nfs/dbraw/zinc/58/23/71/1066582371.db2.gz	YHWJWGBYNIBELD-CXUHLZMHSA-N	-1	0	556.232	4.965	40	30		KJEBRM
O=C([O-])COc1cc(Br)ccc1/C=C1/SC(=Nc2ccc(Br)cc2)NC1=O	ZINC000408750232	1066582246	/nfs/dbraw/zinc/58/22/46/1066582246.db2.gz	YJQUXDJMVLEUQW-VIZOYTHASA-N	-1	0	512.179	4.567	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	ZINC000408752238	1066580688	/nfs/dbraw/zinc/58/06/88/1066580688.db2.gz	CKNGSNVADWDOQM-RIYZIHGNSA-N	-1	0	644.057	4.803	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	ZINC000408752616	1066580213	/nfs/dbraw/zinc/58/02/13/1066580213.db2.gz	ITXPMXINFCSLNJ-XNTDXEJSSA-N	-1	0	520.177	4.751	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl	ZINC000408752655	1066198415	/nfs/dbraw/zinc/19/84/15/1066198415.db2.gz	FWANPGWLYNOFEL-RIYZIHGNSA-N	-1	0	508.155	4.743	40	30		KJEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408753025	1066579689	/nfs/dbraw/zinc/57/96/89/1066579689.db2.gz	GXWDJQWDDGJDBI-SXGWCWSVSA-N	-1	0	587.233	4.971	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1CC=C	ZINC000408753072	1066579786	/nfs/dbraw/zinc/57/97/86/1066579786.db2.gz	HNFIQABAMVCTHG-LDADJPATSA-N	-1	0	558.226	4.927	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OCC	ZINC000408753623	1066579369	/nfs/dbraw/zinc/57/93/69/1066579369.db2.gz	JWRYIRPYHBZBBI-CPNJWEJPSA-N	-1	0	513.388	4.950	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	ZINC000408753726	1066579114	/nfs/dbraw/zinc/57/91/14/1066579114.db2.gz	HNMATBHKDUJHCU-RIYZIHGNSA-N	-1	0	552.606	4.852	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC#N	ZINC000408755555	1066577843	/nfs/dbraw/zinc/57/78/43/1066577843.db2.gz	VOMULNSFCNNIBS-GZTJUZNOSA-N	-1	0	559.214	4.817	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408755610	1066577797	/nfs/dbraw/zinc/57/77/97/1066577797.db2.gz	WASDDQQZRFSTOI-WQRHYEAKSA-N	-1	0	552.390	4.607	40	30		KJEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	ZINC000408756144	1066577397	/nfs/dbraw/zinc/57/73/97/1066577397.db2.gz	UCPJHMAZCHXUOQ-XSFVSMFZSA-N	-1	0	523.383	4.563	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	ZINC000408756332	1066577291	/nfs/dbraw/zinc/57/72/91/1066577291.db2.gz	QDJPGQZVZYDHIB-OQLLNIDSSA-N	-1	0	550.203	4.760	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	ZINC000408756359	1066577384	/nfs/dbraw/zinc/57/73/84/1066577384.db2.gz	RNGAYNMCTUZTCQ-DHDCSXOGSA-N	-1	0	597.203	4.602	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC#N)c(Cl)c3)C2=O)ccc1Br	ZINC000408757492	1066585836	/nfs/dbraw/zinc/58/58/36/1066585836.db2.gz	YEBCAQBORWYVGG-NTUHNPAUSA-N	-1	0	509.143	4.633	40	30		KJEBRM
C#CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	ZINC000408757794	1066585372	/nfs/dbraw/zinc/58/53/72/1066585372.db2.gz	CCUNAQVQTNFMRT-MHWRWJLKSA-N	-1	0	562.214	4.597	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)C2=O)ccc1Br	ZINC000408759200	1066584769	/nfs/dbraw/zinc/58/47/69/1066584769.db2.gz	ZRFHZYJERVQGRP-LPYMAVHISA-N	-1	0	516.351	4.875	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	ZINC000408759299	1066584751	/nfs/dbraw/zinc/58/47/51/1066584751.db2.gz	BSDNLZRSTXWEOE-MHWRWJLKSA-N	-1	0	611.230	4.992	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)OCC	ZINC000408759410	1066584871	/nfs/dbraw/zinc/58/48/71/1066584871.db2.gz	DMLAUSYVPFMDPG-WOJGMQOQSA-N	-1	0	606.267	4.857	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	ZINC000408759463	1066584337	/nfs/dbraw/zinc/58/43/37/1066584337.db2.gz	FMCMMYQTUZWBNX-XNTDXEJSSA-N	-1	0	567.177	4.593	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC	ZINC000408759914	1066584252	/nfs/dbraw/zinc/58/42/52/1066584252.db2.gz	NZVVKFDANCZOHP-MHWRWJLKSA-N	-1	0	534.204	4.924	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCC#N)c(I)c3)C2=O)ccc1Br	ZINC000408760707	1066583793	/nfs/dbraw/zinc/58/37/93/1066583793.db2.gz	DNIJDCLVBAOBSF-NTUHNPAUSA-N	-1	0	692.045	4.536	40	30		KJEBRM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	ZINC000408760784	1066583829	/nfs/dbraw/zinc/58/38/29/1066583829.db2.gz	FXQIUVIVNBYKJG-OQLLNIDSSA-N	-1	0	505.752	4.651	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3C#N)C2=O)ccc1Br	ZINC000408761477	1066589002	/nfs/dbraw/zinc/58/90/02/1066589002.db2.gz	DZPXSQHSZIDAKV-FYJGNVAPSA-N	-1	0	516.351	4.875	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br	ZINC000408762280	1066589200	/nfs/dbraw/zinc/58/92/00/1066589200.db2.gz	NWTSYLYZWYDGRT-RIYZIHGNSA-N	-1	0	597.057	4.961	40	30		KJEBRM
C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC	ZINC000408762544	1066588665	/nfs/dbraw/zinc/58/86/65/1066588665.db2.gz	PBQQARGCNBFXSF-CPNJWEJPSA-N	-1	0	511.372	4.726	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC#N)c(Br)c3)C2=O)ccc1Br	ZINC000408762584	1066588450	/nfs/dbraw/zinc/58/84/50/1066588450.db2.gz	PNWUHRAUXRVJEM-NTUHNPAUSA-N	-1	0	598.045	4.851	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC#N)c(Br)c3)C2=O)ccc1Br	ZINC000408763073	1066588683	/nfs/dbraw/zinc/58/86/83/1066588683.db2.gz	RCDYAPPGGJMGAT-NTUHNPAUSA-N	-1	0	553.594	4.742	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccccc1C#N	ZINC000408763985	1066588126	/nfs/dbraw/zinc/58/81/26/1066588126.db2.gz	HORWELKWCGOEEH-CIAFOILYSA-N	-1	0	546.377	4.883	40	30		KJEBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC#N)c(I)c3)C2=O)ccc1Br	ZINC000408764014	1066587770	/nfs/dbraw/zinc/58/77/70/1066587770.db2.gz	HVTBKGNBYIHSII-NTUHNPAUSA-N	-1	0	645.045	4.693	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1OCC(=O)[O-]	ZINC000408764204	1066587391	/nfs/dbraw/zinc/58/73/91/1066587391.db2.gz	QOWXAJFCESCGTM-ZDLGFXPLSA-N	-1	0	505.390	4.820	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408764338	1066587429	/nfs/dbraw/zinc/58/74/29/1066587429.db2.gz	MIPWSYADYVXJNX-GRSHGNNSSA-N	-1	0	505.390	4.765	40	30		KJEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408764362	1066587537	/nfs/dbraw/zinc/58/75/37/1066587537.db2.gz	MLDPYPNKVKBGAS-SXGWCWSVSA-N	-1	0	634.233	4.813	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1O	ZINC000408764603	1066587544	/nfs/dbraw/zinc/58/75/44/1066587544.db2.gz	XRHDTTKHOSYXEW-OQLLNIDSSA-N	-1	0	520.177	4.621	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC	ZINC000408765799	1066587102	/nfs/dbraw/zinc/58/71/02/1066587102.db2.gz	QKCALYHKCHBHNY-MHWRWJLKSA-N	-1	0	562.214	4.597	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408766865	1066586435	/nfs/dbraw/zinc/58/64/35/1066586435.db2.gz	TWWJPKXCHMGSAM-WQRHYEAKSA-N	-1	0	505.390	4.765	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I	ZINC000408766881	1066586448	/nfs/dbraw/zinc/58/64/48/1066586448.db2.gz	UCOSCGUJKDCMCL-RIYZIHGNSA-N	-1	0	691.057	4.645	40	30		KJEBRM
CC/N=C1\S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N1CC	ZINC000408767605	1066597215	/nfs/dbraw/zinc/59/72/15/1066597215.db2.gz	MZGDNHBIIDNEMB-WRANEOQNSA-N	-1	0	536.391	4.881	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2	ZINC000408767786	1066596768	/nfs/dbraw/zinc/59/67/68/1066596768.db2.gz	OGPFYLYALZAAFM-YDZHTSKRSA-N	-1	0	526.545	4.706	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000408767963	1066596914	/nfs/dbraw/zinc/59/69/14/1066596914.db2.gz	AVBIYGADIPVUAK-MHWRWJLKSA-N	-1	0	505.752	4.732	40	30		KJEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)cc1	ZINC000408768258	1066596677	/nfs/dbraw/zinc/59/66/77/1066596677.db2.gz	DHZSRNKNNLIATM-CIAFOILYSA-N	-1	0	563.351	4.717	40	30		KJEBRM
C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408769149	1066595446	/nfs/dbraw/zinc/59/54/46/1066595446.db2.gz	OWAPMMUZWJHDSZ-JDDNKDTNSA-N	-1	0	503.418	4.803	40	30		KJEBRM
C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408769150	1066595460	/nfs/dbraw/zinc/59/54/60/1066595460.db2.gz	OWAPMMUZWJHDSZ-UQQMVDRBSA-N	-1	0	503.418	4.803	40	30		KJEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)S1	ZINC000408770693	1066589735	/nfs/dbraw/zinc/58/97/35/1066589735.db2.gz	APRFUSFSEQFEOX-NVNXTCNLSA-N	-1	0	620.206	4.559	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	ZINC000408772345	1066229148	/nfs/dbraw/zinc/22/91/48/1066229148.db2.gz	KUOOWZHFNQBSQF-WOJGMQOQSA-N	-1	0	546.361	4.538	40	30		KJEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)c1C	ZINC000408772789	1066592924	/nfs/dbraw/zinc/59/29/24/1066592924.db2.gz	HXMORNHGFUTUCW-PXNMLYILSA-N	-1	0	634.233	4.868	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)c(C)c1	ZINC000408773956	1066592597	/nfs/dbraw/zinc/59/25/97/1066592597.db2.gz	KGSHLKZKRNVHQW-PXNMLYILSA-N	-1	0	634.233	4.868	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000408774227	1066229932	/nfs/dbraw/zinc/22/99/32/1066229932.db2.gz	CCMOCOSTSIUFMI-RIYZIHGNSA-N	-1	0	538.579	4.543	40	30		KJEBRM
O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1I	ZINC000408774609	1066592150	/nfs/dbraw/zinc/59/21/50/1066592150.db2.gz	MLNXRCXYDLFYST-NSIKDUERSA-N	-1	0	640.624	4.904	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000408775011	1066592165	/nfs/dbraw/zinc/59/21/65/1066592165.db2.gz	ZPPRWMCNMVWAIH-SRZZPIQSSA-N	-1	0	593.377	4.725	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1C#N	ZINC000408775470	1066591512	/nfs/dbraw/zinc/59/15/12/1066591512.db2.gz	HISCGWOXHMAUSS-MFKUBSTISA-N	-1	0	507.546	4.849	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC	ZINC000408776414	1066591068	/nfs/dbraw/zinc/59/10/68/1066591068.db2.gz	OGUDINVNZKXZQV-RIYZIHGNSA-N	-1	0	612.804	4.592	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC	ZINC000408776460	1066591005	/nfs/dbraw/zinc/59/10/05/1066591005.db2.gz	OIPFVBQYSZKTEB-RIYZIHGNSA-N	-1	0	565.804	4.750	40	30		KJEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)c1	ZINC000408776751	1066591020	/nfs/dbraw/zinc/59/10/20/1066591020.db2.gz	YORSQLQSEOIZPC-NVNXTCNLSA-N	-1	0	620.206	4.559	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	ZINC000408776788	1066229315	/nfs/dbraw/zinc/22/93/15/1066229315.db2.gz	ZAZSRSFBFMJABL-WOJGMQOQSA-N	-1	0	546.361	4.538	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000408776826	1066591200	/nfs/dbraw/zinc/59/12/00/1066591200.db2.gz	ZRQXTNZMSAHXIW-MHWRWJLKSA-N	-1	0	505.752	4.732	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1I	ZINC000408777264	1066600276	/nfs/dbraw/zinc/60/02/76/1066600276.db2.gz	XIFFJLYWMKPDFO-RIYZIHGNSA-N	-1	0	587.595	4.938	40	30		KJEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1	ZINC000408777487	1066600346	/nfs/dbraw/zinc/60/03/46/1066600346.db2.gz	AMPFQYUMKDNIBZ-LPYMAVHISA-N	-1	0	516.351	4.875	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000408777577	1066599700	/nfs/dbraw/zinc/59/97/00/1066599700.db2.gz	CKOBERYYOVDDHF-SRZZPIQSSA-N	-1	0	546.377	4.883	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408777722	1066599694	/nfs/dbraw/zinc/59/96/94/1066599694.db2.gz	GWXYKPGCGKMKPL-SXGWCWSVSA-N	-1	0	650.232	4.650	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408778154	1066599871	/nfs/dbraw/zinc/59/98/71/1066599871.db2.gz	CAYLVPLLLOOXAA-NVNXTCNLSA-N	-1	0	620.206	4.559	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	ZINC000408778453	1066599291	/nfs/dbraw/zinc/59/92/91/1066599291.db2.gz	URLXJGSXYHMBCS-CXUHLZMHSA-N	-1	0	581.204	4.902	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1I	ZINC000408778761	1066599180	/nfs/dbraw/zinc/59/91/80/1066599180.db2.gz	YPZGLXMIHRATQR-OQLLNIDSSA-N	-1	0	567.177	4.593	40	30		KJEBRM
O=C([O-])COc1c(I)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1I	ZINC000408779652	1066230883	/nfs/dbraw/zinc/23/08/83/1066230883.db2.gz	GXOXPVNMSFRXII-AUWJEWJLSA-N	-1	0	640.624	4.904	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408780262	1066598691	/nfs/dbraw/zinc/59/86/91/1066598691.db2.gz	WJNUTFHRXOKORI-BUVRLJJBSA-N	-1	0	527.533	4.886	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	ZINC000408780512	1066598304	/nfs/dbraw/zinc/59/83/04/1066598304.db2.gz	CODSPDBYKXLWJT-MHWRWJLKSA-N	-1	0	552.752	4.575	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408783328	1066602890	/nfs/dbraw/zinc/60/28/90/1066602890.db2.gz	NJAQTURMEIMNMN-BUVRLJJBSA-N	-1	0	527.533	4.886	40	30		KJEBRM
Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)c1	ZINC000408783548	1066602828	/nfs/dbraw/zinc/60/28/28/1066602828.db2.gz	OLIGRTYXXWWQMR-PXNMLYILSA-N	-1	0	634.233	4.868	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)S2)cc1C	ZINC000408783557	1066602964	/nfs/dbraw/zinc/60/29/64/1066602964.db2.gz	MVFDINSIYVMFLE-PXNMLYILSA-N	-1	0	634.233	4.868	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000408784281	1066602245	/nfs/dbraw/zinc/60/22/45/1066602245.db2.gz	ANAFRXJZFKFJOU-SRZZPIQSSA-N	-1	0	546.377	4.883	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000408785469	1066601501	/nfs/dbraw/zinc/60/15/01/1066601501.db2.gz	GCZKJCYSJXJYFE-SRZZPIQSSA-N	-1	0	501.926	4.774	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br	ZINC000408785501	1066232422	/nfs/dbraw/zinc/23/24/22/1066232422.db2.gz	GQBQRBAKXRPSFL-CXUHLZMHSA-N	-1	0	532.188	4.507	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408788874	1066232088	/nfs/dbraw/zinc/23/20/88/1066232088.db2.gz	GCKFCIQUISVFOR-JBNCTIPCSA-N	-1	0	692.269	4.770	40	30		KJEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c([O-])c(I)c1	ZINC000408789082	1066605489	/nfs/dbraw/zinc/60/54/89/1066605489.db2.gz	NXESYYKFTOMLLB-INIZCTEOSA-N	-1	0	552.162	4.501	40	30		KJEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c([O-])c(I)c1	ZINC000408789084	1066233126	/nfs/dbraw/zinc/23/31/26/1066233126.db2.gz	NXESYYKFTOMLLB-MRXNPFEDSA-N	-1	0	552.162	4.501	40	30		KJEBRM
CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000408790142	1066604857	/nfs/dbraw/zinc/60/48/57/1066604857.db2.gz	NZNKXFGSVYTDME-JQXREPSRSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(Br)cc1OCC#N	ZINC000408792037	1066604893	/nfs/dbraw/zinc/60/48/93/1066604893.db2.gz	GWNRDVSSNNOPLW-MDUOJIKQSA-N	-1	0	516.373	4.682	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCC#N	ZINC000408792101	1066604930	/nfs/dbraw/zinc/60/49/30/1066604930.db2.gz	HVVYJDRZOWCDHE-FFWUMEPTSA-N	-1	0	516.373	4.682	40	30		KJEBRM
COc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408792165	1066604967	/nfs/dbraw/zinc/60/49/67/1066604967.db2.gz	IYFBGIXREVQIKU-XJJUFAKPSA-N	-1	0	620.206	4.836	40	30		KJEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c([O-])c(Br)c1	ZINC000408792270	1066604799	/nfs/dbraw/zinc/60/47/99/1066604799.db2.gz	AIFLCVIMWCUVQO-INIZCTEOSA-N	-1	0	505.162	4.659	40	30		KJEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c([O-])c(Br)c1	ZINC000408792272	1066233464	/nfs/dbraw/zinc/23/34/64/1066233464.db2.gz	AIFLCVIMWCUVQO-MRXNPFEDSA-N	-1	0	505.162	4.659	40	30		KJEBRM
COC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408792887	1066604788	/nfs/dbraw/zinc/60/47/88/1066604788.db2.gz	MBZYJBGNZZTWCK-KRWCNVTBSA-N	-1	0	631.242	4.538	40	30		KJEBRM
COC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1Br	ZINC000408792899	1066604148	/nfs/dbraw/zinc/60/41/48/1066604148.db2.gz	MEYLHPFTPIZTBK-KRWCNVTBSA-N	-1	0	584.242	4.695	40	30		KJEBRM
CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408793249	1066604219	/nfs/dbraw/zinc/60/42/19/1066604219.db2.gz	DJKTZTBGFUXPBB-XAEZOWLJSA-N	-1	0	508.337	4.622	40	30		KJEBRM
C#CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000408793457	1066604186	/nfs/dbraw/zinc/60/41/86/1066604186.db2.gz	DZQPLTSNJQJLBM-ROIOHNFESA-N	-1	0	515.385	4.792	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000408794663	1066604205	/nfs/dbraw/zinc/60/42/05/1066604205.db2.gz	ANVPQPHJXBKSIG-NTUHNPAUSA-N	-1	0	526.170	4.996	40	30		KJEBRM
COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408795485	1066233801	/nfs/dbraw/zinc/23/38/01/1066233801.db2.gz	LIQVTPLRUBDNSO-XJJUFAKPSA-N	-1	0	573.206	4.994	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408795547	1066604158	/nfs/dbraw/zinc/60/41/58/1066604158.db2.gz	LZIGSFKKDWXOJN-JBNCTIPCSA-N	-1	0	645.269	4.928	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCC#N	ZINC000408795815	1066604226	/nfs/dbraw/zinc/60/42/26/1066604226.db2.gz	MRKOAPIGICQVBD-FFWUMEPTSA-N	-1	0	563.373	4.524	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Br)c(OCC#N)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000408796936	1066603829	/nfs/dbraw/zinc/60/38/29/1066603829.db2.gz	PTXMPYYQIVZJJN-XDUDMTAMSA-N	-1	0	598.216	4.888	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(I)c(OCC#N)c(I)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000408797409	1066612572	/nfs/dbraw/zinc/61/25/72/1066612572.db2.gz	RIYVWBHHNSTCCQ-XDUDMTAMSA-N	-1	0	645.216	4.730	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	ZINC000408797656	1066612603	/nfs/dbraw/zinc/61/26/03/1066612603.db2.gz	CNDHGGXEWKIFBI-NTEUORMPSA-N	-1	0	505.752	4.651	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC	ZINC000408798157	1066234486	/nfs/dbraw/zinc/23/44/86/1066234486.db2.gz	UZRAWJHNTJSCCT-YVQDBNNVSA-N	-1	0	503.374	4.955	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	ZINC000408798474	1066612078	/nfs/dbraw/zinc/61/20/78/1066612078.db2.gz	INFSONWDIONOTD-RIYZIHGNSA-N	-1	0	538.181	4.833	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408798661	1066612016	/nfs/dbraw/zinc/61/20/16/1066612016.db2.gz	WIWHBMZMUWSKLR-ANVDJJBOSA-N	-1	0	644.228	4.840	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I	ZINC000408799205	1066234580	/nfs/dbraw/zinc/23/45/80/1066234580.db2.gz	YGNGKTOTPUSGFH-ANVDJJBOSA-N	-1	0	597.228	4.998	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OCC	ZINC000408800033	1066611408	/nfs/dbraw/zinc/61/14/08/1066611408.db2.gz	MYZVMRNDCRDAML-GZTJUZNOSA-N	-1	0	546.361	4.538	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	ZINC000408800569	1066610726	/nfs/dbraw/zinc/61/07/26/1066610726.db2.gz	PSELGJJQCDXELY-OVCLIPMQSA-N	-1	0	505.752	4.651	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC	ZINC000408801567	1066609508	/nfs/dbraw/zinc/60/95/08/1066609508.db2.gz	VWVHDDXMVFXRDA-HYARGMPZSA-N	-1	0	516.937	4.606	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC	ZINC000408801616	1066610182	/nfs/dbraw/zinc/61/01/82/1066610182.db2.gz	UYKLDGAWHGBPQU-GZTJUZNOSA-N	-1	0	546.361	4.538	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br	ZINC000408801982	1066236271	/nfs/dbraw/zinc/23/62/71/1066236271.db2.gz	XMCNCPHPADVVHS-PXLXIMEGSA-N	-1	0	531.362	4.707	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC	ZINC000408803283	1066608847	/nfs/dbraw/zinc/60/88/47/1066608847.db2.gz	NFCXSZCNLJLOCL-HYARGMPZSA-N	-1	0	608.388	4.557	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC	ZINC000408803867	1066608169	/nfs/dbraw/zinc/60/81/69/1066608169.db2.gz	UFWTZSVNBWBKNX-CXUHLZMHSA-N	-1	0	566.779	4.883	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC	ZINC000408804522	1066236695	/nfs/dbraw/zinc/23/66/95/1066236695.db2.gz	ARMFAXLQENMNHX-CXUHLZMHSA-N	-1	0	505.752	4.732	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000408804949	1066607430	/nfs/dbraw/zinc/60/74/30/1066607430.db2.gz	HPJSGMBEHNYRJM-NTUHNPAUSA-N	-1	0	573.170	4.838	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC	ZINC000408806376	1066606091	/nfs/dbraw/zinc/60/60/91/1066606091.db2.gz	MVLGDMAIZMOAHO-HZHRSRAPSA-N	-1	0	622.415	4.947	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC	ZINC000408807740	1066238082	/nfs/dbraw/zinc/23/80/82/1066238082.db2.gz	OOZXYNHZWCHBFD-HZHRSRAPSA-N	-1	0	530.964	4.996	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OCC	ZINC000408810099	1066237819	/nfs/dbraw/zinc/23/78/19/1066237819.db2.gz	SYHFABRYPIYQMB-GXDHUFHOSA-N	-1	0	505.752	4.732	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	ZINC000408810572	1066617055	/nfs/dbraw/zinc/61/70/55/1066617055.db2.gz	UDXBHAHNOYFDFX-RIYZIHGNSA-N	-1	0	585.181	4.675	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OCC	ZINC000408810696	1066616984	/nfs/dbraw/zinc/61/69/84/1066616984.db2.gz	PUEAZMZSVPIBMX-GXDHUFHOSA-N	-1	0	552.752	4.575	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC	ZINC000408811058	1066238426	/nfs/dbraw/zinc/23/84/26/1066238426.db2.gz	JZKINDVMZPBNSM-HYARGMPZSA-N	-1	0	561.388	4.715	40	30		KJEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C2=O)cc1	ZINC000408811157	1066616398	/nfs/dbraw/zinc/61/63/98/1066616398.db2.gz	KMLDOPSEODWOQA-FYJGNVAPSA-N	-1	0	500.580	4.581	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc1OC	ZINC000408811854	1066616395	/nfs/dbraw/zinc/61/63/95/1066616395.db2.gz	BMNGABVOSMTTAX-MFOYZWKCSA-N	-1	0	521.776	4.713	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC	ZINC000408813511	1066615107	/nfs/dbraw/zinc/61/51/07/1066615107.db2.gz	NJXDLLKDMOCRPQ-XNTDXEJSSA-N	-1	0	566.779	4.883	40	30		KJEBRM
C#CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	ZINC000408813639	1066239898	/nfs/dbraw/zinc/23/98/98/1066239898.db2.gz	NQLGXPSCIWQAHU-XQNSMLJCSA-N	-1	0	531.362	4.707	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC	ZINC000408815803	1066613059	/nfs/dbraw/zinc/61/30/59/1066613059.db2.gz	UPGYWMPFRRQDDG-CXUHLZMHSA-N	-1	0	552.752	4.575	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC	ZINC000408816068	1066613218	/nfs/dbraw/zinc/61/32/18/1066613218.db2.gz	SJBPPLIDQUPBBC-GZTJUZNOSA-N	-1	0	546.361	4.538	40	30		KJEBRM
C#CCOc1c(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc(Br)cc1OC	ZINC000408820081	1066624889	/nfs/dbraw/zinc/62/48/89/1066624889.db2.gz	SZMFCCWPOPNELI-IUXPMGMMSA-N	-1	0	521.776	4.713	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC	ZINC000408821233	1066624191	/nfs/dbraw/zinc/62/41/91/1066624191.db2.gz	FBBRIYWYYYZHFU-OEAKJJBVSA-N	-1	0	530.964	4.914	40	30		KJEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O	ZINC000408821522	1066241067	/nfs/dbraw/zinc/24/10/67/1066241067.db2.gz	ILXLUIVTZQAMKE-LFVJCYFKSA-N	-1	0	500.938	4.906	40	30		KJEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Br	ZINC000408821703	1066622880	/nfs/dbraw/zinc/62/28/80/1066622880.db2.gz	AHAGOTVNIKIAFU-JYRVWZFOSA-N	-1	0	527.680	4.800	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OCC	ZINC000408821794	1066623677	/nfs/dbraw/zinc/62/36/77/1066623677.db2.gz	ASGRDJGJZJOMHL-KOEQRZSOSA-N	-1	0	510.546	4.651	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC	ZINC000408824138	1066620656	/nfs/dbraw/zinc/62/06/56/1066620656.db2.gz	HEVPZILHJCVESE-PXLXIMEGSA-N	-1	0	516.937	4.606	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC	ZINC000408824246	1066240428	/nfs/dbraw/zinc/24/04/28/1066240428.db2.gz	GLMVXAALXHQJAM-HZHRSRAPSA-N	-1	0	516.937	4.606	40	30		KJEBRM
C#CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	ZINC000408826196	1066241662	/nfs/dbraw/zinc/24/16/62/1066241662.db2.gz	KXKOVKOOVWSDQL-ZROIWOOFSA-N	-1	0	527.680	4.800	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC	ZINC000408827256	1066627076	/nfs/dbraw/zinc/62/70/76/1066627076.db2.gz	CORZGWMNQFAGDN-QPEQYQDCSA-N	-1	0	604.706	4.650	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1Cl	ZINC000408827276	1066633666	/nfs/dbraw/zinc/63/36/66/1066633666.db2.gz	CPPKZSYRODYQSY-HZHRSRAPSA-N	-1	0	500.938	4.906	40	30		KJEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O	ZINC000408828245	1066633652	/nfs/dbraw/zinc/63/36/52/1066633652.db2.gz	DHJSBHJDFJAKIN-HZHRSRAPSA-N	-1	0	516.937	4.606	40	30		KJEBRM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC	ZINC000408828575	1066632863	/nfs/dbraw/zinc/63/28/63/1066632863.db2.gz	NBASWRIBHDWERI-RIYZIHGNSA-N	-1	0	521.353	4.641	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OCC	ZINC000408829072	1066642861	/nfs/dbraw/zinc/64/28/61/1066642861.db2.gz	WYUZFARGSTUZEW-XQNSMLJCSA-N	-1	0	530.964	4.996	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC	ZINC000408830859	1066244385	/nfs/dbraw/zinc/24/43/85/1066244385.db2.gz	PZOYXXLGZXEHRG-OEAKJJBVSA-N	-1	0	622.415	4.866	40	30		KJEBRM
C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O	ZINC000408832053	1066245008	/nfs/dbraw/zinc/24/50/08/1066245008.db2.gz	PTRCTZFDHJZGSR-XQNSMLJCSA-N	-1	0	531.362	4.707	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1OC	ZINC000408834020	1066631682	/nfs/dbraw/zinc/63/16/82/1066631682.db2.gz	SQLZYQJBZTWQSG-HZHRSRAPSA-N	-1	0	561.388	4.715	40	30		KJEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1=O	ZINC000408834032	1066246331	/nfs/dbraw/zinc/24/63/31/1066246331.db2.gz	KVBJFVHQBNIMOI-BUVRLJJBSA-N	-1	0	561.388	4.715	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OCC	ZINC000408835191	1066635285	/nfs/dbraw/zinc/63/52/85/1066635285.db2.gz	NADMUNWHRQZEIN-LFVJCYFKSA-N	-1	0	530.964	4.996	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1	ZINC000408836218	1066247441	/nfs/dbraw/zinc/24/74/41/1066247441.db2.gz	ZMSUBPRWKKBJLM-LFVJCYFKSA-N	-1	0	531.362	4.707	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC	ZINC000408836670	1066245544	/nfs/dbraw/zinc/24/55/44/1066245544.db2.gz	UEDKOZRVVLHHAZ-QPEQYQDCSA-N	-1	0	513.255	4.699	40	30		KJEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	ZINC000408836907	1066630266	/nfs/dbraw/zinc/63/02/66/1066630266.db2.gz	WWWNBVIGOAJPLC-BUVRLJJBSA-N	-1	0	516.937	4.606	40	30		KJEBRM
COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(I)c1OCC(=O)[O-]	ZINC000408837921	1066649110	/nfs/dbraw/zinc/64/91/10/1066649110.db2.gz	PNTHKLBCSDRFOK-BCHBDCPOSA-N	-1	0	594.427	4.977	40	30		KJEBRM
C#CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000408842795	1066647065	/nfs/dbraw/zinc/64/70/65/1066647065.db2.gz	BKTFIESJRGATAT-XYOKQWHBSA-N	-1	0	540.222	4.608	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCC(=O)OC	ZINC000408843354	1066199271	/nfs/dbraw/zinc/19/92/71/1066199271.db2.gz	DPLVUDZLQDZQLR-LFIBNONCSA-N	-1	0	549.432	4.504	40	30		KJEBRM
C#CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	ZINC000408843861	1066248057	/nfs/dbraw/zinc/24/80/57/1066248057.db2.gz	AXTKGVBZPODDPL-UKTHLTGXSA-N	-1	0	554.249	4.998	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	ZINC000408844567	1066646168	/nfs/dbraw/zinc/64/61/68/1066646168.db2.gz	KGUNIQWPTKSUOT-FMIVXFBMSA-N	-1	0	559.212	4.994	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC#N	ZINC000408844622	1066645609	/nfs/dbraw/zinc/64/56/09/1066645609.db2.gz	CQNGKYWDBNGLHZ-XYOKQWHBSA-N	-1	0	555.237	4.888	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	ZINC000408844685	1066645514	/nfs/dbraw/zinc/64/55/14/1066645514.db2.gz	IFOWHYRNYLFMHS-CXUHLZMHSA-N	-1	0	628.204	4.744	40	30		KJEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000408844811	1066645659	/nfs/dbraw/zinc/64/56/59/1066645659.db2.gz	FJKXCFSLXFEAOB-FOWTUZBSSA-N	-1	0	501.391	4.574	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC#N	ZINC000408845757	1066249561	/nfs/dbraw/zinc/24/95/61/1066249561.db2.gz	HHQUMCXJDVZJBG-XYOKQWHBSA-N	-1	0	510.786	4.779	40	30		KJEBRM
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCC(=O)[O-])c(Br)c1	ZINC000408845957	1066644842	/nfs/dbraw/zinc/64/48/42/1066644842.db2.gz	WXIDTXDFWFXJDB-IBGZPJMESA-N	-1	0	577.225	4.807	40	30		KJEBRM
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCC(=O)[O-])c(Br)c1	ZINC000408845959	1066644829	/nfs/dbraw/zinc/64/48/29/1066644829.db2.gz	WXIDTXDFWFXJDB-LJQANCHMSA-N	-1	0	577.225	4.807	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OCC(=O)OCC	ZINC000408846173	1066644975	/nfs/dbraw/zinc/64/49/75/1066644975.db2.gz	IQYFXIXSGTVEPF-LFIBNONCSA-N	-1	0	549.432	4.504	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5C)o4)c(=O)n32)cc1	ZINC000408846628	1066650548	/nfs/dbraw/zinc/65/05/48/1066650548.db2.gz	QWRVADWOLBPOJL-ASZNLBCTSA-N	-1	0	584.650	4.630	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5C)o4)c(=O)n32)cc1	ZINC000408846629	1066650609	/nfs/dbraw/zinc/65/06/09/1066650609.db2.gz	QWRVADWOLBPOJL-YNMQQHPQSA-N	-1	0	584.650	4.630	40	30		KJEBRM
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c([O-])c(I)c1	ZINC000408847295	1066249281	/nfs/dbraw/zinc/24/92/81/1066249281.db2.gz	UTMKIOWJTKKOGU-KRWDZBQOSA-N	-1	0	613.189	4.733	40	30		KJEBRM
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c([O-])c(I)c1	ZINC000408847296	1066650490	/nfs/dbraw/zinc/65/04/90/1066650490.db2.gz	UTMKIOWJTKKOGU-QGZVFWFLSA-N	-1	0	613.189	4.733	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2	ZINC000408847371	1066658233	/nfs/dbraw/zinc/65/82/33/1066658233.db2.gz	UNERMGXVEZFLCQ-WSDLNYQXSA-N	-1	0	530.508	4.537	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	ZINC000408847626	1066658323	/nfs/dbraw/zinc/65/83/23/1066658323.db2.gz	NUZUCXHDJGWEQG-LPYMAVHISA-N	-1	0	500.482	4.528	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccccc4OCc4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408847786	1066249623	/nfs/dbraw/zinc/24/96/23/1066249623.db2.gz	RQXIAUAQMCUJFT-DDBFQISPSA-N	-1	0	610.688	4.640	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccccc4OCc4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408847787	1066657513	/nfs/dbraw/zinc/65/75/13/1066657513.db2.gz	RQXIAUAQMCUJFT-WWWKDLBZSA-N	-1	0	610.688	4.640	40	30		KJEBRM
N#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I	ZINC000408847825	1066657442	/nfs/dbraw/zinc/65/74/42/1066657442.db2.gz	VVVMQMTXBLNDTJ-UXBLZVDNSA-N	-1	0	684.080	4.936	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC(=O)OC	ZINC000408847970	1066657486	/nfs/dbraw/zinc/65/74/86/1066657486.db2.gz	OQBWCCREGSQUHZ-NTEUORMPSA-N	-1	0	584.275	4.868	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br	ZINC000408848111	1066657501	/nfs/dbraw/zinc/65/75/01/1066657501.db2.gz	PQZWJCBEPSHOHC-CXUHLZMHSA-N	-1	0	532.188	4.507	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cccc(C(=O)[O-])c5)c(OC)c4)c(=O)n32)cc1	ZINC000408848461	1066657508	/nfs/dbraw/zinc/65/75/08/1066657508.db2.gz	ZFOMPVJNXFTTCP-HVDVVURSSA-N	-1	0	640.714	4.649	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cccc(C(=O)[O-])c5)c(OC)c4)c(=O)n32)cc1	ZINC000408848465	1066657561	/nfs/dbraw/zinc/65/75/61/1066657561.db2.gz	ZFOMPVJNXFTTCP-WOSHRIRTSA-N	-1	0	640.714	4.649	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1I	ZINC000408848596	1066250941	/nfs/dbraw/zinc/25/09/41/1066250941.db2.gz	REQHIMNTJIMZHR-MHWRWJLKSA-N	-1	0	639.240	4.530	40	30		KJEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	ZINC000408848600	1066657459	/nfs/dbraw/zinc/65/74/59/1066657459.db2.gz	REUXOXOAKAWCFA-GHRIWEEISA-N	-1	0	515.418	4.964	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5C)o4)c(=O)n32)cc1	ZINC000408849678	1066656895	/nfs/dbraw/zinc/65/68/95/1066656895.db2.gz	XTRJDXVPDRAVCS-ASZNLBCTSA-N	-1	0	584.650	4.630	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5C)o4)c(=O)n32)cc1	ZINC000408849679	1066656800	/nfs/dbraw/zinc/65/68/00/1066656800.db2.gz	XTRJDXVPDRAVCS-YNMQQHPQSA-N	-1	0	584.650	4.630	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])c(Cl)c5)o4)c(=O)n32)cc1	ZINC000408850343	1066656193	/nfs/dbraw/zinc/65/61/93/1066656193.db2.gz	LVMOHOWIERZVDR-BIWBSIMWSA-N	-1	0	605.068	4.975	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])c(Cl)c5)o4)c(=O)n32)cc1	ZINC000408850344	195488069	/nfs/dbraw/zinc/48/80/69/195488069.db2.gz	LVMOHOWIERZVDR-ZGOFBEGVSA-N	-1	0	605.068	4.975	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCC(=O)OCC	ZINC000408850576	1066655619	/nfs/dbraw/zinc/65/56/19/1066655619.db2.gz	OIVQRUSSDZSHCU-SFQUDFHCSA-N	-1	0	563.459	4.894	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc2c(c1)OCO2	ZINC000408851168	1066655657	/nfs/dbraw/zinc/65/56/57/1066655657.db2.gz	JBQBPHCHPWDKND-YDZHTSKRSA-N	-1	0	544.535	4.927	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000408851294	1066654929	/nfs/dbraw/zinc/65/49/29/1066654929.db2.gz	XJXLGQQNBABTOF-XYOKQWHBSA-N	-1	0	540.222	4.608	40	30		KJEBRM
C=CCc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408851980	1066249995	/nfs/dbraw/zinc/24/99/95/1066249995.db2.gz	OOFZCHQKCLYHHB-UHFFFAOYSA-N	-1	0	528.586	4.635	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	ZINC000408852574	1066654214	/nfs/dbraw/zinc/65/42/14/1066654214.db2.gz	UJOAYCXTUWELDZ-UKTHLTGXSA-N	-1	0	554.249	4.998	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	ZINC000408853086	1066250278	/nfs/dbraw/zinc/25/02/78/1066250278.db2.gz	PPRJPKRWUCLDAV-UKTHLTGXSA-N	-1	0	601.249	4.840	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OCC)c1OCC	ZINC000408853331	1066653558	/nfs/dbraw/zinc/65/35/58/1066653558.db2.gz	RDVKYWAUWAQKKN-RCCKNPSSSA-N	-1	0	508.571	4.676	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c([O-])c(Br)c4)c(=O)n32)cc1	ZINC000408853604	1066653647	/nfs/dbraw/zinc/65/36/47/1066653647.db2.gz	QFNTVFOYWWRQSV-VLOXRPPESA-N	-1	0	634.346	4.594	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)c([O-])c(Br)c4)c(=O)n32)cc1	ZINC000408853605	1066653598	/nfs/dbraw/zinc/65/35/98/1066653598.db2.gz	QFNTVFOYWWRQSV-WLJFKGHSSA-N	-1	0	634.346	4.594	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br	ZINC000408853952	1066252495	/nfs/dbraw/zinc/25/24/95/1066252495.db2.gz	UDZUVUBXECRJDX-FMIVXFBMSA-N	-1	0	510.196	4.599	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cccc(C(=O)[O-])c5)cc4)c(=O)n32)cc1	ZINC000408854071	1066252807	/nfs/dbraw/zinc/25/28/07/1066252807.db2.gz	WZCVCWVJKMXRDG-DDBFQISPSA-N	-1	0	610.688	4.640	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCc5cccc(C(=O)[O-])c5)cc4)c(=O)n32)cc1	ZINC000408854072	1066653137	/nfs/dbraw/zinc/65/31/37/1066653137.db2.gz	WZCVCWVJKMXRDG-WWWKDLBZSA-N	-1	0	610.688	4.640	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCC#N	ZINC000408854297	1066652998	/nfs/dbraw/zinc/65/29/98/1066652998.db2.gz	BVQONGXFLQOQJP-XYOKQWHBSA-N	-1	0	602.237	4.730	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n32)cc1	ZINC000408854727	1066652362	/nfs/dbraw/zinc/65/23/62/1066652362.db2.gz	BVBSHEZLNIDJFE-BIWBSIMWSA-N	-1	0	605.068	4.975	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n32)cc1	ZINC000408854729	1066652392	/nfs/dbraw/zinc/65/23/92/1066652392.db2.gz	BVBSHEZLNIDJFE-ZGOFBEGVSA-N	-1	0	605.068	4.975	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	ZINC000408855862	1066253414	/nfs/dbraw/zinc/25/34/14/1066253414.db2.gz	GCIPXLLJDUGUNB-UKTHLTGXSA-N	-1	0	509.798	4.889	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408855964	1066651900	/nfs/dbraw/zinc/65/19/00/1066651900.db2.gz	AEBVWUPSGPCGJS-ZDLGFXPLSA-N	-1	0	521.389	4.520	40	30		KJEBRM
N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000408856126	1066651186	/nfs/dbraw/zinc/65/11/86/1066651186.db2.gz	JCMPDPUPMNJCML-CNHKJKLMSA-N	-1	0	536.327	4.839	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I	ZINC000408856198	1066253542	/nfs/dbraw/zinc/25/35/42/1066253542.db2.gz	PQKLXGGXDAWDJS-CXUHLZMHSA-N	-1	0	581.204	4.902	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1F	ZINC000408856263	1066651206	/nfs/dbraw/zinc/65/12/06/1066651206.db2.gz	PXHIWIPMPQSISR-FYJGNVAPSA-N	-1	0	500.482	4.528	40	30		KJEBRM
O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc(I)c([O-])c(I)c1	ZINC000408857091	1066650466	/nfs/dbraw/zinc/65/04/66/1066650466.db2.gz	MYHNWWLHCSABKE-QPEQYQDCSA-N	-1	0	566.133	4.632	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408857162	1066252042	/nfs/dbraw/zinc/25/20/42/1066252042.db2.gz	LEOVZLOJLABEOY-UXVYDAHRSA-N	-1	0	505.390	4.657	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OCC#N	ZINC000408857190	1066650576	/nfs/dbraw/zinc/65/05/76/1066650576.db2.gz	NCQSUGSVBWHYHN-FOWTUZBSSA-N	-1	0	516.406	4.854	40	30		KJEBRM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4[O-])c(=O)n32)cc1	ZINC000408857386	1066251924	/nfs/dbraw/zinc/25/19/24/1066251924.db2.gz	URAAWILVCQUPEB-AFHVAHMMSA-N	-1	0	634.346	4.594	40	30		KJEBRM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4[O-])c(=O)n32)cc1	ZINC000408857388	1066252051	/nfs/dbraw/zinc/25/20/51/1066252051.db2.gz	URAAWILVCQUPEB-ZRELAVNMSA-N	-1	0	634.346	4.594	40	30		KJEBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)C2=O)c1	ZINC000408857736	1066663999	/nfs/dbraw/zinc/66/39/99/1066663999.db2.gz	WGJHUKXWDALHGT-BUVRLJJBSA-N	-1	0	511.534	4.601	40	30		KJEBRM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(I)c([O-])c(I)c2)S1	ZINC000408859288	1066662715	/nfs/dbraw/zinc/66/27/15/1066662715.db2.gz	NZGSEBOMBVPUHK-NVNXTCNLSA-N	-1	0	592.196	4.810	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCC#N	ZINC000408859455	1066662688	/nfs/dbraw/zinc/66/26/88/1066662688.db2.gz	XOMILUSIORODJX-XYOKQWHBSA-N	-1	0	555.237	4.888	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408862750	1066660532	/nfs/dbraw/zinc/66/05/32/1066660532.db2.gz	IUKQIKAEVXVEMB-APSNUPSMSA-N	-1	0	558.781	4.617	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408863364	1066254158	/nfs/dbraw/zinc/25/41/58/1066254158.db2.gz	MCGNLWMIIPHOHT-IUXPMGMMSA-N	-1	0	541.807	4.865	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408868891	1066255359	/nfs/dbraw/zinc/25/53/59/1066255359.db2.gz	OBDOTHDZMHSLCR-PXNMLYILSA-N	-1	0	511.781	4.775	40	30		KJEBRM
CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408869127	1066668983	/nfs/dbraw/zinc/66/89/83/1066668983.db2.gz	RNUIHEZPDLTOCH-IUXPMGMMSA-N	-1	0	588.807	4.707	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408869879	1066668411	/nfs/dbraw/zinc/66/84/11/1066668411.db2.gz	SIFWDXQGWPUSLX-APSNUPSMSA-N	-1	0	511.781	4.775	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408870123	1066668480	/nfs/dbraw/zinc/66/84/80/1066668480.db2.gz	VFVZXHYBLUURLH-PXNMLYILSA-N	-1	0	558.781	4.617	40	30		KJEBRM
O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc(I)cc(I)c1O	ZINC000408871637	1066255299	/nfs/dbraw/zinc/25/52/99/1066255299.db2.gz	IAXYKTHLAPBWKD-MLPAPPSSSA-N	-1	0	566.133	4.632	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC	ZINC000408893391	1066679679	/nfs/dbraw/zinc/67/96/79/1066679679.db2.gz	AAKUDWFCUQHRKU-ZHZULCJRSA-N	-1	0	588.398	4.547	40	30		KJEBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1Br	ZINC000408894349	1066679212	/nfs/dbraw/zinc/67/92/12/1066679212.db2.gz	CENRINKCAFILNE-GDNBJRDFSA-N	-1	0	520.177	4.751	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OC	ZINC000408894353	1066259537	/nfs/dbraw/zinc/25/95/37/1066259537.db2.gz	CERDZKVQCYJSMJ-UYRXBGFRSA-N	-1	0	529.387	4.868	40	30		KJEBRM
C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408895263	1066678512	/nfs/dbraw/zinc/67/85/12/1066678512.db2.gz	DIGHFAPVGOQGLE-DHDCSXOGSA-N	-1	0	505.752	4.651	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OC	ZINC000408895281	1066678432	/nfs/dbraw/zinc/67/84/32/1066678432.db2.gz	DOEGBDJMUDKTAT-UYRXBGFRSA-N	-1	0	576.387	4.710	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC	ZINC000408896678	1066677894	/nfs/dbraw/zinc/67/78/94/1066677894.db2.gz	HGUMPWNJDKVWNE-ZHZULCJRSA-N	-1	0	541.398	4.705	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC	ZINC000408897960	1066262915	/nfs/dbraw/zinc/26/29/15/1066262915.db2.gz	JVVBPXXWDDMKOI-YBEGLDIGSA-N	-1	0	611.230	4.992	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OCC	ZINC000408898325	1066690751	/nfs/dbraw/zinc/69/07/51/1066690751.db2.gz	LAXSKPDSSRECOW-UYRXBGFRSA-N	-1	0	576.387	4.710	40	30		KJEBRM
C=CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000408899693	1066689460	/nfs/dbraw/zinc/68/94/60/1066689460.db2.gz	PXVCBZHVKCVRRJ-WJDWOHSUSA-N	-1	0	520.177	4.751	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408899730	1066689499	/nfs/dbraw/zinc/68/94/99/1066689499.db2.gz	QCCCHBQACYOZGT-DHDCSXOGSA-N	-1	0	550.203	4.760	40	30		KJEBRM
C=CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000408899977	1066688820	/nfs/dbraw/zinc/68/88/20/1066688820.db2.gz	QUZWSBRGDIIRAQ-WJDWOHSUSA-N	-1	0	520.177	4.751	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408900064	1066688557	/nfs/dbraw/zinc/68/85/57/1066688557.db2.gz	RFCMEBQYSLJUAA-DHDCSXOGSA-N	-1	0	597.203	4.602	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OCC	ZINC000408901451	1066262020	/nfs/dbraw/zinc/26/20/20/1066262020.db2.gz	YGTUSYXGPSHTOC-UYRXBGFRSA-N	-1	0	529.387	4.868	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1OCC	ZINC000408901693	1066262088	/nfs/dbraw/zinc/26/20/88/1066262088.db2.gz	ZQKAFDPCHXHNKQ-YBEGLDIGSA-N	-1	0	562.214	4.597	40	30		KJEBRM
C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408902296	1066686161	/nfs/dbraw/zinc/68/61/61/1066686161.db2.gz	HDQCFVCTPWZKLV-XYGWBWBKSA-N	-1	0	512.587	4.861	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408904189	1066200132	/nfs/dbraw/zinc/20/01/32/1066200132.db2.gz	GDRPVDNAPJSGGL-PXNMLYILSA-N	-1	0	558.781	4.617	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408904222	1066683650	/nfs/dbraw/zinc/68/36/50/1066683650.db2.gz	GQZADHQHVGARRD-AUWJEWJLSA-N	-1	0	579.199	4.962	40	30		KJEBRM
COc1cc(/C=N\c2ccc(Br)cc2C)cc(I)c1OCC(=O)[O-]	ZINC000408904592	1066263628	/nfs/dbraw/zinc/26/36/28/1066263628.db2.gz	LWYYWPPRXWDISN-ZBKNUEDVSA-N	-1	0	504.118	4.585	40	30		KJEBRM
COc1cc(/C=N\c2ccc(C)cc2Br)cc(I)c1OCC(=O)[O-]	ZINC000408904858	1066263603	/nfs/dbraw/zinc/26/36/03/1066263603.db2.gz	PORIOEDAYBUQHM-ZBKNUEDVSA-N	-1	0	504.118	4.585	40	30		KJEBRM
COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)[O-]	ZINC000408904937	1066263401	/nfs/dbraw/zinc/26/34/01/1066263401.db2.gz	QTMWFJSMWRDLOR-ZVHZXABRSA-N	-1	0	502.308	4.935	40	30		KJEBRM
COc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(I)c1OCC(=O)[O-]	ZINC000408905030	1066263464	/nfs/dbraw/zinc/26/34/64/1066263464.db2.gz	SDUFQCDRPAPZSL-IFRROFPPSA-N	-1	0	524.536	4.930	40	30		KJEBRM
COc1cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)cc(I)c1OCC(=O)[O-]	ZINC000408905595	1066683533	/nfs/dbraw/zinc/68/35/33/1066683533.db2.gz	ZRGXEYAWXVZGBY-MSXFZWOLSA-N	-1	0	504.324	4.921	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1	ZINC000408906437	1066682830	/nfs/dbraw/zinc/68/28/30/1066682830.db2.gz	JKERYMSLCWWAKG-DLIIZKKJSA-N	-1	0	552.390	4.696	40	30		KJEBRM
COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408907037	1066263449	/nfs/dbraw/zinc/26/34/49/1066263449.db2.gz	LDRWXXFRSSCJRD-DLIIZKKJSA-N	-1	0	552.390	4.776	40	30		KJEBRM
COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408907078	1066682855	/nfs/dbraw/zinc/68/28/55/1066682855.db2.gz	LQIOUMZPYTZPHO-DLIIZKKJSA-N	-1	0	505.390	4.934	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408907845	1066693029	/nfs/dbraw/zinc/69/30/29/1066693029.db2.gz	PGGMKVFPCDYZIN-DLIIZKKJSA-N	-1	0	505.390	4.853	40	30		KJEBRM
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408908021	1066265682	/nfs/dbraw/zinc/26/56/82/1066265682.db2.gz	AJQFOSGNKRSMDR-MSXFZWOLSA-N	-1	0	547.305	4.931	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N\c1ccc(C)cc1	ZINC000408908733	1066265755	/nfs/dbraw/zinc/26/57/55/1066265755.db2.gz	RSDGAHUGUZWVAP-DLIIZKKJSA-N	-1	0	505.390	4.853	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408908927	1066266053	/nfs/dbraw/zinc/26/60/53/1066266053.db2.gz	TZILMVIIYODEPR-DLIIZKKJSA-N	-1	0	552.390	4.696	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000408909404	1066692069	/nfs/dbraw/zinc/69/20/69/1066692069.db2.gz	GZHVRVXIFQWQEM-GATIEOLUSA-N	-1	0	515.320	4.874	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408909597	1066266674	/nfs/dbraw/zinc/26/66/74/1066266674.db2.gz	HIWRSCNREULWIL-AUWJEWJLSA-N	-1	0	524.140	4.582	40	30		KJEBRM
CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)C(=O)N1CC	ZINC000408909862	1066266770	/nfs/dbraw/zinc/26/67/70/1066266770.db2.gz	FGHKYMCXDWJKLB-NVHABHRXSA-N	-1	0	566.417	4.950	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000408910853	1066266415	/nfs/dbraw/zinc/26/64/15/1066266415.db2.gz	LNDPPXCCHQBHGA-GATIEOLUSA-N	-1	0	515.320	4.874	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408911172	1066697868	/nfs/dbraw/zinc/69/78/68/1066697868.db2.gz	YZWZJPLBZAPTAP-KPKCGWESSA-N	-1	0	610.426	4.564	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408911598	1066697975	/nfs/dbraw/zinc/69/79/75/1066697975.db2.gz	ODMWBDIPALYRHY-YDZHTSKRSA-N	-1	0	531.496	4.716	40	30		KJEBRM
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000408913165	1066697537	/nfs/dbraw/zinc/69/75/37/1066697537.db2.gz	SXEXZVLMUOQVKO-MSXFZWOLSA-N	-1	0	547.305	4.931	40	30		KJEBRM
CCc1ccccc1/N=C1\S/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)C(=O)N1C	ZINC000408913410	1066696661	/nfs/dbraw/zinc/69/66/61/1066696661.db2.gz	QQWNKCOXFDMXSS-DLIIZKKJSA-N	-1	0	552.390	4.559	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000408913657	1066696786	/nfs/dbraw/zinc/69/67/86/1066696786.db2.gz	MTCSSXHJVWTCNC-YDZHTSKRSA-N	-1	0	504.489	4.947	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408913776	1066267355	/nfs/dbraw/zinc/26/73/55/1066267355.db2.gz	RMEGFBRGTWRMND-NVHABHRXSA-N	-1	0	566.417	4.950	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408914034	1066696689	/nfs/dbraw/zinc/69/66/89/1066696689.db2.gz	XDILDNCCGUCPDD-YDZHTSKRSA-N	-1	0	531.496	4.716	40	30		KJEBRM
CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C(=O)N1C	ZINC000408914113	1066696152	/nfs/dbraw/zinc/69/61/52/1066696152.db2.gz	SXVYSBJUCDFMMY-DLIIZKKJSA-N	-1	0	505.390	4.717	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccccc1C#N	ZINC000408914510	1066268173	/nfs/dbraw/zinc/26/81/73/1066268173.db2.gz	QEWFNUNFICFKPL-ZMOGYAJESA-N	-1	0	511.509	4.680	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408914889	1066267845	/nfs/dbraw/zinc/26/78/45/1066267845.db2.gz	ZMBJRVMFPLUGAW-GATIEOLUSA-N	-1	0	515.320	4.874	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408914931	1066696106	/nfs/dbraw/zinc/69/61/06/1066696106.db2.gz	RTULXVNAHJVESZ-KEBDBYFISA-N	-1	0	520.314	4.705	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000408914973	1066696138	/nfs/dbraw/zinc/69/61/38/1066696138.db2.gz	SLZDMMXYHZBBCU-UFFVCSGVSA-N	-1	0	519.916	4.995	40	30		KJEBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000408915818	1066696030	/nfs/dbraw/zinc/69/60/30/1066696030.db2.gz	ZNWMNLXPOHDKGD-AWQFTUOYSA-N	-1	0	597.340	4.556	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408916554	1066694200	/nfs/dbraw/zinc/69/42/00/1066694200.db2.gz	FFFVSMORKJFXAP-UCQKPKSFSA-N	-1	0	547.564	4.881	40	30		KJEBRM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000408917238	1066693469	/nfs/dbraw/zinc/69/34/69/1066693469.db2.gz	PPOLRAXZNLOKPJ-NDENLUEZSA-N	-1	0	504.612	4.877	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408917289	1066707462	/nfs/dbraw/zinc/70/74/62/1066707462.db2.gz	QKERPVOEDWNICV-UCQKPKSFSA-N	-1	0	547.564	4.881	40	30		KJEBRM
COC(=O)COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408917569	1066707207	/nfs/dbraw/zinc/70/72/07/1066707207.db2.gz	XNEAJBKFYUQMNB-IEALRCHKSA-N	-1	0	502.548	4.741	40	30		KJEBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000408918294	1066706729	/nfs/dbraw/zinc/70/67/29/1066706729.db2.gz	IQICTZDIIITZFW-JMIUGGIZSA-N	-1	0	566.408	4.879	40	30		KJEBRM
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000408918668	1066706220	/nfs/dbraw/zinc/70/62/20/1066706220.db2.gz	NNQNLNWONFCRCJ-JMIUGGIZSA-N	-1	0	613.408	4.721	40	30		KJEBRM
CCOCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)S/C1=N/c1ccccc1	ZINC000408928398	1066709051	/nfs/dbraw/zinc/70/90/51/1066709051.db2.gz	ATJLQAYJHQTKLP-ROIOHNFESA-N	-1	0	535.416	4.562	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408928845	1066709187	/nfs/dbraw/zinc/70/91/87/1066709187.db2.gz	FHBXJEJHHWUDHU-DTXFAVTCSA-N	-1	0	658.312	4.588	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408929156	1066274937	/nfs/dbraw/zinc/27/49/37/1066274937.db2.gz	HSYOSCWFNXMFCQ-VGKOFGDVSA-N	-1	0	566.861	4.636	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408929489	1066275064	/nfs/dbraw/zinc/27/50/64/1066275064.db2.gz	KCQVJSCVPVNODT-VGKOFGDVSA-N	-1	0	522.410	4.527	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408929617	1066708476	/nfs/dbraw/zinc/70/84/76/1066708476.db2.gz	LSZUNGFCHJUYOI-FKHPOCDDSA-N	-1	0	553.276	4.988	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000408929797	1066200717	/nfs/dbraw/zinc/20/07/17/1066200717.db2.gz	OGFTTXFKGOLVRF-DAZATKBVSA-N	-1	0	505.390	4.657	40	30		KJEBRM
CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)S/C1=N/c1ccccc1	ZINC000408930439	1066707879	/nfs/dbraw/zinc/70/78/79/1066707879.db2.gz	XCKKOWAOLUDLGL-SXROATFKSA-N	-1	0	504.992	4.843	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Br)c2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408930511	1066707855	/nfs/dbraw/zinc/70/78/55/1066707855.db2.gz	XZJRMXGEKLYSIE-FKHPOCDDSA-N	-1	0	508.825	4.879	40	30		KJEBRM
COCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])S/C1=N\c1ccccc1	ZINC000408930940	1066275716	/nfs/dbraw/zinc/27/57/16/1066275716.db2.gz	FCQSAJDXWLBMMQ-YJGHASPHSA-N	-1	0	539.351	4.546	40	30		KJEBRM
COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)S/C1=N\c1ccccc1	ZINC000408931361	1066275726	/nfs/dbraw/zinc/27/57/26/1066275726.db2.gz	KOCYRDVWCWVIPM-ZZSQQICMSA-N	-1	0	505.390	4.553	40	30		KJEBRM
COc1cccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)c1OCC(=O)Nc1ccccc1	ZINC000408931575	1066707251	/nfs/dbraw/zinc/70/72/51/1066707251.db2.gz	NJUZBCBSHMKWOM-YXOLPBRFSA-N	-1	0	531.590	4.953	40	30		KJEBRM
COC(=O)COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408931578	1066707189	/nfs/dbraw/zinc/70/71/89/1066707189.db2.gz	NKYOVDOWOBTBEK-DRFYBTJMSA-N	-1	0	532.574	4.749	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408931692	1066707262	/nfs/dbraw/zinc/70/72/62/1066707262.db2.gz	PAJASYQFEZAMNB-CIYOPZFMSA-N	-1	0	504.992	4.843	40	30		KJEBRM
COc1ccc(/N=C2\S/C(=C\c3cc4c(c(OC)c3)OCO4)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000408931982	1066716666	/nfs/dbraw/zinc/71/66/66/1066716666.db2.gz	ALZITZOOSXRRGK-NBKOTPQHSA-N	-1	0	518.547	4.935	40	30		KJEBRM
CC/N=C1/S/C(=C/c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C(=O)N1CC	ZINC000408932383	1066716006	/nfs/dbraw/zinc/71/60/06/1066716006.db2.gz	WLVRGTGOGWMKEY-VTNZUCANSA-N	-1	0	566.417	4.889	40	30		KJEBRM
COc1ccc(/N=C2\S/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000408932895	1066275671	/nfs/dbraw/zinc/27/56/71/1066275671.db2.gz	FPATUYHEHXOGIO-NHKWWFCZSA-N	-1	0	520.563	4.920	40	30		KJEBRM
COCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)S/C1=N\c1ccc(OC)cc1	ZINC000408932953	1066275681	/nfs/dbraw/zinc/27/56/81/1066275681.db2.gz	FYRFPYDXAHSOGC-CGZJZCCVSA-N	-1	0	511.383	4.716	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(Cl)c1OCC(=O)OC	ZINC000408933138	1066715599	/nfs/dbraw/zinc/71/55/99/1066715599.db2.gz	HVANRLANLIIISN-NSFAGWGPSA-N	-1	0	518.975	4.531	40	30		KJEBRM
CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OCC	ZINC000408933447	1066715021	/nfs/dbraw/zinc/71/50/21/1066715021.db2.gz	JRKUCFXGUJRBJK-PAZIXSAASA-N	-1	0	533.002	4.921	40	30		KJEBRM
COc1ccc(/N=C2\S/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000408933722	1066715062	/nfs/dbraw/zinc/71/50/62/1066715062.db2.gz	KJKKQFOZPFYRHJ-QIEJQHQASA-N	-1	0	533.518	4.835	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408934150	1066711549	/nfs/dbraw/zinc/71/15/49/1066711549.db2.gz	LKBGPRKHTBXKRT-SVKHOINDSA-N	-1	0	549.443	4.952	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc(I)c1OC	ZINC000408935721	1066712848	/nfs/dbraw/zinc/71/28/48/1066712848.db2.gz	NKBIZAYSSIRAQW-WRLHCUQGSA-N	-1	0	552.390	4.939	40	30		KJEBRM
COCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)S/C1=N\c1ccc(OC)cc1	ZINC000408937530	1066280281	/nfs/dbraw/zinc/28/02/81/1066280281.db2.gz	QYQFXJFUQPMTHC-CGZJZCCVSA-N	-1	0	694.285	4.618	40	30		KJEBRM
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408938726	1066726546	/nfs/dbraw/zinc/72/65/46/1066726546.db2.gz	SAXLOMDJKVQATG-CIYOPZFMSA-N	-1	0	596.443	4.794	40	30		KJEBRM
CCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1OC	ZINC000408941629	1066723749	/nfs/dbraw/zinc/72/37/49/1066723749.db2.gz	WMVBAISBOYYSLK-DLIIZKKJSA-N	-1	0	552.390	4.939	40	30		KJEBRM
C#CCOc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1I	ZINC000408942336	1066723197	/nfs/dbraw/zinc/72/31/97/1066723197.db2.gz	XJLPJLLLNZFEKN-WRANEOQNSA-N	-1	0	532.359	4.544	40	30		KJEBRM
Cc1c(/N=C2\S/C(=C\c3cc(I)cc(I)c3O)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408943006	1066722387	/nfs/dbraw/zinc/72/23/87/1066722387.db2.gz	XSZDSQOKCGUOHM-XRWUWRESSA-N	-1	0	620.206	4.842	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000408947814	1066733365	/nfs/dbraw/zinc/73/33/65/1066733365.db2.gz	DFCOYEITVZPSGL-AWQFTUOYSA-N	-1	0	545.935	4.584	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccc(F)cc1	ZINC000408949545	1066731449	/nfs/dbraw/zinc/73/14/49/1066731449.db2.gz	IIINSEGITGABAG-YDZHTSKRSA-N	-1	0	544.535	4.927	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000408949817	1066283754	/nfs/dbraw/zinc/28/37/54/1066283754.db2.gz	IZZULERLNJMKDG-OEAKJJBVSA-N	-1	0	526.545	4.788	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408949977	1066283585	/nfs/dbraw/zinc/28/35/85/1066283585.db2.gz	LVUQEZZDNJICCZ-FLVCQPMSSA-N	-1	0	697.141	4.536	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408949979	1066730922	/nfs/dbraw/zinc/73/09/22/1066730922.db2.gz	LVUQEZZDNJICCZ-FNTKOXOASA-N	-1	0	697.141	4.536	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408949981	1066283792	/nfs/dbraw/zinc/28/37/92/1066283792.db2.gz	LVUQEZZDNJICCZ-JKFHCYMESA-N	-1	0	697.141	4.536	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408949984	1066283601	/nfs/dbraw/zinc/28/36/01/1066283601.db2.gz	LVUQEZZDNJICCZ-OCAWQVEHSA-N	-1	0	697.141	4.536	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000408950297	1066730975	/nfs/dbraw/zinc/73/09/75/1066730975.db2.gz	JCTBQLARLPJHHW-AWQFTUOYSA-N	-1	0	637.386	4.536	40	30		KJEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC	ZINC000408950417	1066283616	/nfs/dbraw/zinc/28/36/16/1066283616.db2.gz	JZDMGUZLNGAGLA-AFUMVMLFSA-N	-1	0	510.590	4.841	40	30		KJEBRM
Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1C	ZINC000408950518	1066730592	/nfs/dbraw/zinc/73/05/92/1066730592.db2.gz	FYEJMIYFMORREV-QDTXFXTASA-N	-1	0	547.168	4.887	40	30		KJEBRM
N#Cc1ccccc1COc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I	ZINC000408951033	1066730058	/nfs/dbraw/zinc/73/00/58/1066730058.db2.gz	KSHLBIIKFJSMNG-CNHKJKLMSA-N	-1	0	719.229	4.742	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408951051	1066730126	/nfs/dbraw/zinc/73/01/26/1066730126.db2.gz	HPQICFFAHZAHJE-CXUHLZMHSA-N	-1	0	603.232	4.807	40	30		KJEBRM
N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	ZINC000408951108	1066730081	/nfs/dbraw/zinc/73/00/81/1066730081.db2.gz	LHMWFLSWDWLYRN-CNHKJKLMSA-N	-1	0	580.778	4.948	40	30		KJEBRM
CCN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000408951216	1066283716	/nfs/dbraw/zinc/28/37/16/1066283716.db2.gz	IHEMRCSRCSXQNR-FWAMYBDSSA-N	-1	0	547.168	4.969	40	30		KJEBRM
CCN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000408951263	1066283812	/nfs/dbraw/zinc/28/38/12/1066283812.db2.gz	IMHQHOLKKUQKSL-FWAMYBDSSA-N	-1	0	547.168	4.969	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000408952372	1066728612	/nfs/dbraw/zinc/72/86/12/1066728612.db2.gz	NLZCPMBGHFIYFO-AWQFTUOYSA-N	-1	0	590.386	4.694	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)S2)cc1	ZINC000408952522	1066728624	/nfs/dbraw/zinc/72/86/24/1066728624.db2.gz	LTTGWAMFWPNQSJ-CXUHLZMHSA-N	-1	0	511.781	4.856	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000408952784	1066201807	/nfs/dbraw/zinc/20/18/07/1066201807.db2.gz	MTAMYTYGBNGXSE-HCYZPJOLSA-N	-1	0	533.141	4.579	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(I)cc(Br)c3OCC(=O)[O-])S2)cc1	ZINC000408953049	1066286583	/nfs/dbraw/zinc/28/65/83/1066286583.db2.gz	OCFVFWHDSYCJLW-LZYBPNLTSA-N	-1	0	603.232	4.807	40	30		KJEBRM
CN1C(=O)/C(=C/c2cc(Br)c(I)o2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000408953149	1066737874	/nfs/dbraw/zinc/73/78/74/1066737874.db2.gz	OLYXUXUBZFPZGG-HCYZPJOLSA-N	-1	0	533.141	4.579	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000408953873	1066287096	/nfs/dbraw/zinc/28/70/96/1066287096.db2.gz	QGPNERBDEDJTOS-WSDLNYQXSA-N	-1	0	530.508	4.537	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc1	ZINC000408954466	1066287221	/nfs/dbraw/zinc/28/72/21/1066287221.db2.gz	TVZCUXRCDCQZAA-CXUHLZMHSA-N	-1	0	556.232	4.965	40	30		KJEBRM
Cc1cc(C(=O)[O-])ccc1N=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1C	ZINC000408954594	1066736860	/nfs/dbraw/zinc/73/68/60/1066736860.db2.gz	TWQCYCCMQZOEOZ-QDTXFXTASA-N	-1	0	547.168	4.887	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408954871	1066736406	/nfs/dbraw/zinc/73/64/06/1066736406.db2.gz	PPFBTKXDADLCGH-DUEWUTTHSA-N	-1	0	870.435	4.694	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408954877	1066287081	/nfs/dbraw/zinc/28/70/81/1066287081.db2.gz	PPFBTKXDADLCGH-GDGOIAAYSA-N	-1	0	870.435	4.694	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408954879	1066736469	/nfs/dbraw/zinc/73/64/69/1066736469.db2.gz	PPFBTKXDADLCGH-NWKPPJFGSA-N	-1	0	870.435	4.694	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408954882	1066736420	/nfs/dbraw/zinc/73/64/20/1066736420.db2.gz	PPFBTKXDADLCGH-RILWXKFZSA-N	-1	0	870.435	4.694	40	30		KJEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)S2)cc1	ZINC000408955352	1066736049	/nfs/dbraw/zinc/73/60/49/1066736049.db2.gz	WYJMEDUTNJJURZ-WOJGMQOQSA-N	-1	0	521.389	4.602	40	30		KJEBRM
Cc1c(N=C2S/C(=C\c3cc(Br)c(I)o3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408955529	1066736087	/nfs/dbraw/zinc/73/60/87/1066736087.db2.gz	XNVSXCGQIGBSPH-QDTXFXTASA-N	-1	0	547.168	4.887	40	30		KJEBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000408955913	1066735614	/nfs/dbraw/zinc/73/56/14/1066735614.db2.gz	VEVUNFLQOIEMRW-MZJWZYIUSA-N	-1	0	560.566	4.940	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000408956335	1066735195	/nfs/dbraw/zinc/73/51/95/1066735195.db2.gz	REMSUJCCMHKBCN-DUEWUTTHSA-N	-1	0	731.984	4.900	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000408956336	1066735158	/nfs/dbraw/zinc/73/51/58/1066735158.db2.gz	REMSUJCCMHKBCN-GDGOIAAYSA-N	-1	0	731.984	4.900	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000408956337	1066289532	/nfs/dbraw/zinc/28/95/32/1066289532.db2.gz	REMSUJCCMHKBCN-NWKPPJFGSA-N	-1	0	731.984	4.900	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000408956338	1066735165	/nfs/dbraw/zinc/73/51/65/1066735165.db2.gz	REMSUJCCMHKBCN-RILWXKFZSA-N	-1	0	731.984	4.900	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408956878	1066734336	/nfs/dbraw/zinc/73/43/36/1066734336.db2.gz	YYFVAZJYYDSOKV-YDZHTSKRSA-N	-1	0	571.542	4.696	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408957388	1066743418	/nfs/dbraw/zinc/74/34/18/1066743418.db2.gz	SVGBMYOPUTWNJK-DUEWUTTHSA-N	-1	0	823.435	4.851	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408957390	1066289962	/nfs/dbraw/zinc/28/99/62/1066289962.db2.gz	SVGBMYOPUTWNJK-GDGOIAAYSA-N	-1	0	823.435	4.851	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408957392	1066201774	/nfs/dbraw/zinc/20/17/74/1066201774.db2.gz	SVGBMYOPUTWNJK-NWKPPJFGSA-N	-1	0	823.435	4.851	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(I)c1	ZINC000408957394	1066289852	/nfs/dbraw/zinc/28/98/52/1066289852.db2.gz	SVGBMYOPUTWNJK-RILWXKFZSA-N	-1	0	823.435	4.851	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408957490	1066742953	/nfs/dbraw/zinc/74/29/53/1066742953.db2.gz	TVOHITKSXSUHHA-FLVCQPMSSA-N	-1	0	741.592	4.646	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408957492	1066742980	/nfs/dbraw/zinc/74/29/80/1066742980.db2.gz	TVOHITKSXSUHHA-FNTKOXOASA-N	-1	0	741.592	4.646	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408957493	1066290010	/nfs/dbraw/zinc/29/00/10/1066290010.db2.gz	TVOHITKSXSUHHA-JKFHCYMESA-N	-1	0	741.592	4.646	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCc2ccc(C(=O)[O-])cc2)c(OCC)c1	ZINC000408957494	1066742849	/nfs/dbraw/zinc/74/28/49/1066742849.db2.gz	TVOHITKSXSUHHA-OCAWQVEHSA-N	-1	0	741.592	4.646	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000408959126	1066741059	/nfs/dbraw/zinc/74/10/59/1066741059.db2.gz	YJTKPTWYUIRHIK-DUEWUTTHSA-N	-1	0	687.533	4.791	40	30		KJEBRM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000408959127	1066741173	/nfs/dbraw/zinc/74/11/73/1066741173.db2.gz	YJTKPTWYUIRHIK-GDGOIAAYSA-N	-1	0	687.533	4.791	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000408959128	1066288812	/nfs/dbraw/zinc/28/88/12/1066288812.db2.gz	YJTKPTWYUIRHIK-NWKPPJFGSA-N	-1	0	687.533	4.791	40	30		KJEBRM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000408959129	1066741117	/nfs/dbraw/zinc/74/11/17/1066741117.db2.gz	YJTKPTWYUIRHIK-RILWXKFZSA-N	-1	0	687.533	4.791	40	30		KJEBRM
COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c([O-])c(I)c3)S2)cc1	ZINC000408959954	1066289356	/nfs/dbraw/zinc/28/93/56/1066289356.db2.gz	BBONLCVPDSVTKI-RIYZIHGNSA-N	-1	0	531.169	4.660	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c([O-])c(I)c3)S2)cc1	ZINC000408960718	1066201828	/nfs/dbraw/zinc/20/18/28/1066201828.db2.gz	IAWJKTPOZLPYII-RIYZIHGNSA-N	-1	0	515.170	4.959	40	30		KJEBRM
COC(=O)c1ccc(N=C2S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000408961908	1066738905	/nfs/dbraw/zinc/73/89/05/1066738905.db2.gz	VLLGEUMTGKJPQF-QAAICXCNSA-N	-1	0	502.548	4.984	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408963350	1066739805	/nfs/dbraw/zinc/73/98/05/1066739805.db2.gz	NJRSTZLSBTWJKF-OVCLIPMQSA-N	-1	0	573.206	4.717	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc1	ZINC000408964021	1066739378	/nfs/dbraw/zinc/73/93/78/1066739378.db2.gz	FEWZYOCRLBIMNA-OVCLIPMQSA-N	-1	0	526.206	4.875	40	30		KJEBRM
O=C([O-])COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1I	ZINC000408965308	1066738845	/nfs/dbraw/zinc/73/88/45/1066738845.db2.gz	VMXYXJXXJIYHSW-VGOFMYFVSA-N	-1	0	549.173	4.953	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c([O-])c(I)c3)S2)cc1	ZINC000408965625	1066739340	/nfs/dbraw/zinc/73/93/40/1066739340.db2.gz	WNAAJVQMCLKZRB-RIYZIHGNSA-N	-1	0	562.170	4.801	40	30		KJEBRM
COc1ccc(N=C2NC(=O)/C(=C\c3cc(I)c([O-])c(I)c3)S2)cc1	ZINC000408966866	1066738773	/nfs/dbraw/zinc/73/87/73/1066738773.db2.gz	QXUHUPZHVVICAD-RIYZIHGNSA-N	-1	0	578.169	4.502	40	30		KJEBRM
COc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S2)cc1	ZINC000408967574	1066745444	/nfs/dbraw/zinc/74/54/44/1066745444.db2.gz	VWIMXENQWLZVJC-OVCLIPMQSA-N	-1	0	542.205	4.575	40	30		KJEBRM
COC(=O)c1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1	ZINC000408967858	1066744966	/nfs/dbraw/zinc/74/49/66/1066744966.db2.gz	VIKLAOFTINZLTK-HRUMIUIVSA-N	-1	0	532.574	4.993	40	30		KJEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc(I)cc(Br)c3OCC(=O)[O-])S2)cc1	ZINC000408967982	1066744844	/nfs/dbraw/zinc/74/48/44/1066744844.db2.gz	YJJGSAAUAJYNFS-VIZOYTHASA-N	-1	0	573.206	4.717	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccc4c(c3)OCO4)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408968420	1066744928	/nfs/dbraw/zinc/74/49/28/1066744928.db2.gz	YTAOENTVLBCOHS-OHJGZOTISA-N	-1	0	518.547	4.935	40	30		KJEBRM
N#Cc1c(N)ncc(-c2ccccc2)c1-c1cc(I)cc(I)c1[O-]	ZINC000408977879	1066754989	/nfs/dbraw/zinc/75/49/89/1066754989.db2.gz	GBHACBSKHAJMJL-UHFFFAOYSA-N	-1	0	539.114	4.784	40	30		KJEBRM
N#Cc1c(N)ncc(-c2ccccc2)c1-c1cc(I)c([O-])c(I)c1	ZINC000408980640	1066753609	/nfs/dbraw/zinc/75/36/09/1066753609.db2.gz	RWHAXUGKPUUCLD-UHFFFAOYSA-N	-1	0	539.114	4.784	40	30		KJEBRM
Cc1nc(N)c(C#N)c(-c2cc(I)cc(I)c2[O-])c1-c1ccccc1	ZINC000408980856	1066753020	/nfs/dbraw/zinc/75/30/20/1066753020.db2.gz	TWYRMFRYYDFAPA-UHFFFAOYSA-N	-1	0	553.141	5.093	40	30		KJEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC#N)c(I)c3)C2=O)cc1Cl	ZINC000408981535	1066752096	/nfs/dbraw/zinc/75/20/96/1066752096.db2.gz	BPSXMIFAHVRENY-MLPAPPSSSA-N	-1	0	600.594	4.584	40	30		KJEBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)cc1	ZINC000408982102	1066751658	/nfs/dbraw/zinc/75/16/58/1066751658.db2.gz	FSMKFCBHNXEWDE-XKZIYDEJSA-N	-1	0	577.378	4.971	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	ZINC000408982494	1066292611	/nfs/dbraw/zinc/29/26/11/1066292611.db2.gz	HJNVXHHKCOYJCI-AUWJEWJLSA-N	-1	0	599.606	4.694	40	30		KJEBRM
Cc1nc(N)c(C#N)c(-c2cc(I)c([O-])c(I)c2)c1-c1ccccc1	ZINC000408983041	1066750851	/nfs/dbraw/zinc/75/08/51/1066750851.db2.gz	ZYJCVDYQHODRRG-UHFFFAOYSA-N	-1	0	553.141	5.093	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I	ZINC000408983610	1066750175	/nfs/dbraw/zinc/75/01/75/1066750175.db2.gz	MTXOPGCXHCMOLJ-AUWJEWJLSA-N	-1	0	646.606	4.536	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	ZINC000408983698	1066292935	/nfs/dbraw/zinc/29/29/35/1066292935.db2.gz	NNDOTGOMFPEOFV-NVNXTCNLSA-N	-1	0	505.752	4.651	40	30		KJEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCC#N)c(Br)c3)C2=O)cc1Cl	ZINC000408983705	1066750267	/nfs/dbraw/zinc/75/02/67/1066750267.db2.gz	NOQJQNXIFZIXCA-MLPAPPSSSA-N	-1	0	553.594	4.742	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	ZINC000408984202	1066749761	/nfs/dbraw/zinc/74/97/61/1066749761.db2.gz	PZRFFJSXCJIIBG-AUWJEWJLSA-N	-1	0	552.606	4.852	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	ZINC000408984708	1066749324	/nfs/dbraw/zinc/74/93/24/1066749324.db2.gz	JNTKCUMGRRFJBP-NVNXTCNLSA-N	-1	0	505.752	4.651	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1I	ZINC000408984855	1066749309	/nfs/dbraw/zinc/74/93/09/1066749309.db2.gz	TVLOYPHOLFXZGB-YBEGLDIGSA-N	-1	0	581.204	4.847	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	ZINC000408985104	1066748785	/nfs/dbraw/zinc/74/87/85/1066748785.db2.gz	VGXVUQLXONESDH-SXGWCWSVSA-N	-1	0	566.779	4.883	40	30		KJEBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1	ZINC000408985249	1066748874	/nfs/dbraw/zinc/74/88/74/1066748874.db2.gz	WAKDYRINCQZIHP-UUYOSTAYSA-N	-1	0	607.404	4.979	40	30		KJEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC#N)c(Br)c3)C2=O)cc1Cl	ZINC000408985926	1066293528	/nfs/dbraw/zinc/29/35/28/1066293528.db2.gz	YUDNKRXHFLCIBG-MLPAPPSSSA-N	-1	0	509.143	4.633	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2	ZINC000408985985	1066748014	/nfs/dbraw/zinc/74/80/14/1066748014.db2.gz	YYXVNZXPZLIDTG-IWIPYMOSSA-N	-1	0	510.546	4.952	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	ZINC000408986156	1066747865	/nfs/dbraw/zinc/74/78/65/1066747865.db2.gz	ZUGGAPYSMROFFX-AUWJEWJLSA-N	-1	0	508.155	4.743	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc(Br)c1OCC#N	ZINC000408987443	1066294166	/nfs/dbraw/zinc/29/41/66/1066294166.db2.gz	XTIKZPBKKIYUAD-PXNMLYILSA-N	-1	0	522.764	4.603	40	30		KJEBRM
O=C([O-])c1ccc(N=C2NC(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)S2)cc1	ZINC000408987488	1066761331	/nfs/dbraw/zinc/76/13/31/1066761331.db2.gz	BEZDMPPEIOMADG-BKUYFWCQSA-N	-1	0	534.575	4.915	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC#N	ZINC000408987540	1066294794	/nfs/dbraw/zinc/29/47/94/1066294794.db2.gz	FQQJGYRUPSGYAA-YVLHZVERSA-N	-1	0	514.763	4.708	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2	ZINC000408988552	1066760620	/nfs/dbraw/zinc/76/06/20/1066760620.db2.gz	IJCQZSCTJQXTFU-OYKKKHCWSA-N	-1	0	540.572	4.960	40	30		KJEBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N	ZINC000408991030	1066757833	/nfs/dbraw/zinc/75/78/33/1066757833.db2.gz	YRKYCTGJUQAXKD-NHDPSOOVSA-N	-1	0	501.926	4.774	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1I	ZINC000408991083	1066757774	/nfs/dbraw/zinc/75/77/74/1066757774.db2.gz	YZFOHOOVKFCECK-YBEGLDIGSA-N	-1	0	628.204	4.689	40	30		KJEBRM
O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)S2)ccc1Cl	ZINC000408991396	1066757414	/nfs/dbraw/zinc/75/74/14/1066757414.db2.gz	NTDYAANPJGLPDM-JAIQZWGSSA-N	-1	0	580.007	4.965	40	30		KJEBRM
O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)S2)c1	ZINC000408992163	1066757003	/nfs/dbraw/zinc/75/70/03/1066757003.db2.gz	QRDIUXKHFKABRS-MTJSOVHGSA-N	-1	0	534.575	4.915	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(I)cc(/C=N/N3C(=O)c4ccccc4C3=O)cc2I)cc1	ZINC000408992678	1066295388	/nfs/dbraw/zinc/29/53/88/1066295388.db2.gz	AWJMEWGEUYRPLG-KBKYJPHKSA-N	-1	0	652.182	4.803	40	30		KJEBRM
O=C([O-])c1cc(N=C2NC(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)S2)ccc1Cl	ZINC000408993191	1066297044	/nfs/dbraw/zinc/29/70/44/1066297044.db2.gz	VBZMZMBVHCXTPO-BOPFTXTBSA-N	-1	0	524.971	4.650	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1CC=C	ZINC000408994314	1066297759	/nfs/dbraw/zinc/29/77/59/1066297759.db2.gz	YJWGCZBBJHQTTL-WQRHYEAKSA-N	-1	0	513.775	4.818	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)OCC	ZINC000408994738	1066297859	/nfs/dbraw/zinc/29/78/59/1066297859.db2.gz	ZZDKOXDZGUOGAP-ZDLGFXPLSA-N	-1	0	561.816	4.748	40	30		KJEBRM
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OCC)c(OCC(=O)[O-])cc2Br)C1=O	ZINC000408995352	1066755434	/nfs/dbraw/zinc/75/54/34/1066755434.db2.gz	BPQSOLAHQOKJLW-ODLFYWEKSA-N	-1	0	548.411	4.855	40	30		KJEBRM
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000408996972	1066761712	/nfs/dbraw/zinc/76/17/12/1066761712.db2.gz	KVIDUBGVGCKCPR-YBEGLDIGSA-N	-1	0	677.254	4.903	40	30		KJEBRM
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000408999726	1066767328	/nfs/dbraw/zinc/76/73/28/1066767328.db2.gz	VOPNRUMFINUWMU-PDGQHHTCSA-N	-1	0	548.411	4.855	40	30		KJEBRM
Cc1ccc(S(=O)(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)cc1	ZINC000409000913	1066299093	/nfs/dbraw/zinc/29/90/93/1066299093.db2.gz	YZTKAKDBSKWFIS-BRJLIKDPSA-N	-1	0	676.270	4.794	40	30		KJEBRM
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000409001043	1066298931	/nfs/dbraw/zinc/29/89/31/1066298931.db2.gz	GBSWVCSLCYBDCW-PDGQHHTCSA-N	-1	0	503.960	4.746	40	30		KJEBRM
C/N=C1\S/C(=C\c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)N1C	ZINC000409002051	1066299540	/nfs/dbraw/zinc/29/95/40/1066299540.db2.gz	SDXFUERJYIRZMZ-ZPIXVNCRSA-N	-1	0	634.233	4.705	40	30		KJEBRM
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(I)cc(I)c2[O-])C1=O	ZINC000409004439	1066764419	/nfs/dbraw/zinc/76/44/19/1066764419.db2.gz	BDOUTKGLIDCCHU-SXGWCWSVSA-N	-1	0	661.255	4.771	40	30		KJEBRM
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)cc(I)c2[O-])C1=O	ZINC000409005864	1066763026	/nfs/dbraw/zinc/76/30/26/1066763026.db2.gz	GTMDKKXWEQNBTP-SXGWCWSVSA-N	-1	0	614.255	4.929	40	30		KJEBRM
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O	ZINC000409007464	1066775029	/nfs/dbraw/zinc/77/50/29/1066775029.db2.gz	QJUVLLNLXFHXML-SXGWCWSVSA-N	-1	0	522.804	4.978	40	30		KJEBRM
COc1ccc(N=C2S/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)N2Cc2ccco2)cc1	ZINC000409015808	1066769976	/nfs/dbraw/zinc/76/99/76/1066769976.db2.gz	BNFLRGGNWHCHRV-JUCITBGFSA-N	-1	0	508.552	4.953	40	30		KJEBRM
COc1ccc(N=C2S/C(=C\c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)N2Cc2ccco2)cc1	ZINC000409015809	1066770030	/nfs/dbraw/zinc/77/00/30/1066770030.db2.gz	BNFLRGGNWHCHRV-YAAIHDOYSA-N	-1	0	508.552	4.953	40	30		KJEBRM
COc1ccc(N=C2S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000409020747	1066781832	/nfs/dbraw/zinc/78/18/32/1066781832.db2.gz	STJSWYMSSSXRBI-KLVPVGSPSA-N	-1	0	519.579	4.627	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409021451	1066781256	/nfs/dbraw/zinc/78/12/56/1066781256.db2.gz	INFRYIFXORJLID-MFKUBSTISA-N	-1	0	555.587	4.541	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409024766	1066777419	/nfs/dbraw/zinc/77/74/19/1066777419.db2.gz	WDUMOHNFLVBUFG-WGOQTCKBSA-N	-1	0	569.614	4.931	40	30		KJEBRM
CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O	ZINC000409033666	1066790286	/nfs/dbraw/zinc/79/02/86/1066790286.db2.gz	OOHXHJRVGCEZFR-UHFFFAOYSA-N	-1	0	502.405	4.925	40	30		KJEBRM
COCCN1C2=C(C(=O)CCC2)C(c2cc(Br)c([O-])c(Br)c2)C2=C1CCCC2=O	ZINC000409037700	1066310981	/nfs/dbraw/zinc/31/09/81/1066310981.db2.gz	YKRUHTKDAUVUFW-UHFFFAOYSA-N	-1	0	525.237	4.977	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000409039159	1066810662	/nfs/dbraw/zinc/81/06/62/1066810662.db2.gz	BTHLPDZWZBJXGK-UHFFFAOYSA-N	-1	0	544.604	4.519	40	30		KJEBRM
C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C1=O	ZINC000409040017	1066809228	/nfs/dbraw/zinc/80/92/28/1066809228.db2.gz	FERUSQDCOMQXFS-XDHOZWIPSA-N	-1	0	516.369	4.795	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000409040625	1066808274	/nfs/dbraw/zinc/80/82/74/1066808274.db2.gz	HENGHPGWLKXEFT-OQLLNIDSSA-N	-1	0	583.030	4.653	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2	ZINC000409042536	1066805555	/nfs/dbraw/zinc/80/55/55/1066805555.db2.gz	NCVWMBSECYYBBQ-UHFFFAOYSA-N	-1	0	563.242	4.722	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Br	ZINC000409042538	1066805633	/nfs/dbraw/zinc/80/56/33/1066805633.db2.gz	NDBRQGZCPOHOKX-XYOKQWHBSA-N	-1	0	538.579	4.543	40	30		KJEBRM
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-]	ZINC000409043436	1066804156	/nfs/dbraw/zinc/80/41/56/1066804156.db2.gz	QUFXBPVEEARLFC-UHFFFAOYSA-N	-1	0	525.642	4.881	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000409043804	1066803302	/nfs/dbraw/zinc/80/33/02/1066803302.db2.gz	AOEZTLQXGRJMEV-LICLKQGHSA-N	-1	0	532.188	4.507	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000409044362	1066312451	/nfs/dbraw/zinc/31/24/51/1066312451.db2.gz	CIONULMQUODBQH-VGOFMYFVSA-N	-1	0	538.579	4.543	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000409044999	1066802185	/nfs/dbraw/zinc/80/21/85/1066802185.db2.gz	XDCDQTMBKZIMOT-OVCLIPMQSA-N	-1	0	552.606	4.852	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409045338	1066801387	/nfs/dbraw/zinc/80/13/87/1066801387.db2.gz	GHGFNUDUFWEGIT-OQLLNIDSSA-N	-1	0	538.579	4.543	40	30		KJEBRM
C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000409045521	1066799008	/nfs/dbraw/zinc/79/90/08/1066799008.db2.gz	YXQDGLXGPDIBDE-OQLLNIDSSA-N	-1	0	524.140	4.582	40	30		KJEBRM
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(I)cc(I)c1[O-])C1c3ccccc3C2c2ccccc21	ZINC000409045750	1066801434	/nfs/dbraw/zinc/80/14/34/1066801434.db2.gz	HLOGUMGOQAEFGM-FTQCWTENSA-N	-1	0	646.222	4.828	40	30		KJEBRM
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(I)cc(I)c1[O-])C1c3ccccc3C2c2ccccc21	ZINC000409045753	1066312686	/nfs/dbraw/zinc/31/26/86/1066312686.db2.gz	HLOGUMGOQAEFGM-JEENWQEUSA-N	-1	0	646.222	4.828	40	30		KJEBRM
O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc(I)cc(I)c1[O-])C1c3ccccc3C2c2ccccc21	ZINC000409045756	1066801555	/nfs/dbraw/zinc/80/15/55/1066801555.db2.gz	HLOGUMGOQAEFGM-SWAOCSHASA-N	-1	0	646.222	4.828	40	30		KJEBRM
COc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2	ZINC000409046432	1066800346	/nfs/dbraw/zinc/80/03/46/1066800346.db2.gz	KEHQHTXKOHYFDR-UHFFFAOYSA-N	-1	0	539.220	4.718	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000409046833	1066313212	/nfs/dbraw/zinc/31/32/12/1066313212.db2.gz	KVSYTBRHJGUJHP-UKTHLTGXSA-N	-1	0	538.579	4.543	40	30		KJEBRM
C#CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br	ZINC000409047143	1066313362	/nfs/dbraw/zinc/31/33/62/1066313362.db2.gz	MYHMANWXUJOQLX-UHFFFAOYSA-N	-1	0	563.242	4.722	40	30		KJEBRM
COc1c(Br)cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Br	ZINC000409047187	1066799390	/nfs/dbraw/zinc/79/93/90/1066799390.db2.gz	NOFPMWFVNFOVJT-UHFFFAOYSA-N	-1	0	539.220	4.718	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409047238	1066799324	/nfs/dbraw/zinc/79/93/24/1066799324.db2.gz	NTIAJSWNBSEBKT-HYARGMPZSA-N	-1	0	525.579	4.690	40	30		KJEBRM
C#CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O	ZINC000409047485	1066813365	/nfs/dbraw/zinc/81/33/65/1066813365.db2.gz	NZLYDUMZVUXFDU-LICLKQGHSA-N	-1	0	645.212	4.843	40	30		KJEBRM
C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000409048237	1066822608	/nfs/dbraw/zinc/82/26/08/1066822608.db2.gz	RXABEGJABFAVLB-GZTJUZNOSA-N	-1	0	550.203	4.842	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409049122	1066820429	/nfs/dbraw/zinc/82/04/29/1066820429.db2.gz	UTCSSWMBYOKFQB-OVCLIPMQSA-N	-1	0	538.579	4.543	40	30		KJEBRM
C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O	ZINC000409049295	1066820558	/nfs/dbraw/zinc/82/05/58/1066820558.db2.gz	QEJORGPHOIWKPC-XDHOZWIPSA-N	-1	0	516.369	4.795	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br	ZINC000409049584	1066819886	/nfs/dbraw/zinc/81/98/86/1066819886.db2.gz	WTHBLSOGRHIZFH-MDWZMJQESA-N	-1	0	552.606	4.852	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000409050196	1066314487	/nfs/dbraw/zinc/31/44/87/1066314487.db2.gz	SKYXTZXOZGKWQJ-NTEUORMPSA-N	-1	0	552.606	4.852	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000409051173	1066314234	/nfs/dbraw/zinc/31/42/34/1066314234.db2.gz	BHODAIBHSPASLC-KPKCGWESSA-N	-1	0	610.426	4.564	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OCC	ZINC000409051541	1066818822	/nfs/dbraw/zinc/81/88/22/1066818822.db2.gz	DASSTHLEWOEESF-QZCBBHSYSA-N	-1	0	624.453	4.954	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC	ZINC000409052133	1066818289	/nfs/dbraw/zinc/81/82/89/1066818289.db2.gz	BXFWPZXNBNXXFW-KJEQNGCBSA-N	-1	0	610.426	4.564	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCC(=O)OC	ZINC000409052252	1066818395	/nfs/dbraw/zinc/81/83/95/1066818395.db2.gz	GWJCGFQVVHSZHE-KPKCGWESSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OCC	ZINC000409052382	1066817824	/nfs/dbraw/zinc/81/78/24/1066817824.db2.gz	DIOVSOAEHQUDPU-KJEQNGCBSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000409052569	1066817861	/nfs/dbraw/zinc/81/78/61/1066817861.db2.gz	KKLSEESNPGPYOI-GDNBJRDFSA-N	-1	0	553.228	4.779	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409055737	1066814966	/nfs/dbraw/zinc/81/49/66/1066814966.db2.gz	PQAKLWBIUGDXOD-ZRXYRDEMSA-N	-1	0	538.363	4.631	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OCC	ZINC000409056853	1066314811	/nfs/dbraw/zinc/31/48/11/1066314811.db2.gz	OOIGMIOQCYGWMH-VGJGMVRDSA-N	-1	0	624.453	4.954	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OCC	ZINC000409057550	1066825022	/nfs/dbraw/zinc/82/50/22/1066825022.db2.gz	KAVWTNIAJPKATQ-KJEQNGCBSA-N	-1	0	610.426	4.564	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC	ZINC000409060172	1066833179	/nfs/dbraw/zinc/83/31/79/1066833179.db2.gz	ZGTMJAZFRDBYBO-KJEQNGCBSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1Br	ZINC000409061288	1066831814	/nfs/dbraw/zinc/83/18/14/1066831814.db2.gz	ZAHTXPQGWOWCDU-NVHABHRXSA-N	-1	0	533.400	4.713	40	30		KJEBRM
CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1Br	ZINC000409061470	1066831768	/nfs/dbraw/zinc/83/17/68/1066831768.db2.gz	XQNUQMJMWRDZFI-LTMWAVIFSA-N	-1	0	533.400	4.713	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC	ZINC000409062057	1066831321	/nfs/dbraw/zinc/83/13/21/1066831321.db2.gz	MRXSVPJBRXPTOM-KPKCGWESSA-N	-1	0	610.426	4.564	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1OC	ZINC000409062416	1066830679	/nfs/dbraw/zinc/83/06/79/1066830679.db2.gz	UOLAKJWMLKQWJP-KPKCGWESSA-N	-1	0	563.426	4.722	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000409062749	1066830222	/nfs/dbraw/zinc/83/02/22/1066830222.db2.gz	AFMQYWUBLDUBJW-OEAKJJBVSA-N	-1	0	502.498	4.514	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O	ZINC000409063550	1066315757	/nfs/dbraw/zinc/31/57/57/1066315757.db2.gz	CBWZOPGEJQOFFI-UHFFFAOYSA-N	-1	0	542.009	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409063661	1066829591	/nfs/dbraw/zinc/82/95/91/1066829591.db2.gz	DGJWUOSRYCKMBI-HYARGMPZSA-N	-1	0	567.019	4.820	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409063868	1066829046	/nfs/dbraw/zinc/82/90/46/1066829046.db2.gz	AHDHQKYEAIIKBT-BUVRLJJBSA-N	-1	0	543.532	4.586	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409064137	1066829084	/nfs/dbraw/zinc/82/90/84/1066829084.db2.gz	BSMGESSWOIAPAG-KOEQRZSOSA-N	-1	0	576.627	4.565	40	30		KJEBRM
Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2)cc1	ZINC000409064263	1066829121	/nfs/dbraw/zinc/82/91/21/1066829121.db2.gz	CKYFVOYORJSMLD-UHFFFAOYSA-N	-1	0	535.618	4.651	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000409064596	1066828511	/nfs/dbraw/zinc/82/85/11/1066828511.db2.gz	HSTPCMXYCCRTDJ-UHFFFAOYSA-N	-1	0	677.513	4.956	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C2=C1CCCC2=O	ZINC000409064664	1066316039	/nfs/dbraw/zinc/31/60/39/1066316039.db2.gz	DZRKCQBEJSMAIS-UHFFFAOYSA-N	-1	0	542.009	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1	ZINC000409064682	1066828587	/nfs/dbraw/zinc/82/85/87/1066828587.db2.gz	DMQUQLBGWDPHSP-PCLIKHOPSA-N	-1	0	558.562	4.985	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409064798	1066828506	/nfs/dbraw/zinc/82/85/06/1066828506.db2.gz	GIRSIARBGPDNPF-UHFFFAOYSA-N	-1	0	586.062	4.923	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccccc1	ZINC000409064890	1066827818	/nfs/dbraw/zinc/82/78/18/1066827818.db2.gz	ITUUPSXLTSRJRC-HZHRSRAPSA-N	-1	0	513.506	4.577	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000409065078	1066825596	/nfs/dbraw/zinc/82/55/96/1066825596.db2.gz	FZAYOVKTESADGY-PCLIKHOPSA-N	-1	0	512.562	4.986	40	30		KJEBRM
C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409065094	1066825495	/nfs/dbraw/zinc/82/54/95/1066825495.db2.gz	GBWPTFOJMKIOJK-UHFFFAOYSA-N	-1	0	591.682	4.998	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1	ZINC000409065167	1066825484	/nfs/dbraw/zinc/82/54/84/1066825484.db2.gz	GTAJCJAITHRJHO-KOEQRZSOSA-N	-1	0	560.628	4.865	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OCC	ZINC000409065198	1066316489	/nfs/dbraw/zinc/31/64/89/1066316489.db2.gz	DZPYJFFFLJCILH-KPKCGWESSA-N	-1	0	563.426	4.722	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OCC	ZINC000409065260	1066827866	/nfs/dbraw/zinc/82/78/66/1066827866.db2.gz	ILQXRKRSFIPRJB-UHFFFAOYSA-N	-1	0	579.431	4.977	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409065267	1066827849	/nfs/dbraw/zinc/82/78/49/1066827849.db2.gz	HFDUJWHZHZOKOJ-LFVJCYFKSA-N	-1	0	597.045	4.910	40	30		KJEBRM
Cc1ccc(S(=O)(=O)Oc2ccccc2C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1	ZINC000409065386	1066827961	/nfs/dbraw/zinc/82/79/61/1066827961.db2.gz	LHSMIEIPVWTEOH-UHFFFAOYSA-N	-1	0	535.618	4.651	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409066011	1066827116	/nfs/dbraw/zinc/82/71/16/1066827116.db2.gz	LINCNKUMRMCOQU-RCCKNPSSSA-N	-1	0	567.019	4.820	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Br	ZINC000409066106	1066826611	/nfs/dbraw/zinc/82/66/11/1066826611.db2.gz	AMGJUZFTPQCGBU-UHFFFAOYSA-N	-1	0	526.177	4.803	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409066110	1066826784	/nfs/dbraw/zinc/82/67/84/1066826784.db2.gz	LSBPPLNDONMGSW-BUVRLJJBSA-N	-1	0	543.532	4.673	40	30		KJEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000409066213	1066826775	/nfs/dbraw/zinc/82/67/75/1066826775.db2.gz	KKIYBVSZTSOWJE-BRJLIKDPSA-N	-1	0	562.320	4.716	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C2=C1CCCC2=O	ZINC000409066356	1066825449	/nfs/dbraw/zinc/82/54/49/1066825449.db2.gz	OHSJTJRJOACOAJ-UHFFFAOYSA-N	-1	0	586.460	4.715	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000409066371	1066825572	/nfs/dbraw/zinc/82/55/72/1066825572.db2.gz	OITCKZWKGJRJLY-HYARGMPZSA-N	-1	0	502.498	4.514	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000409066402	1066825524	/nfs/dbraw/zinc/82/55/24/1066825524.db2.gz	OPAOXFLMUCLAGY-HZHRSRAPSA-N	-1	0	516.525	4.817	40	30		KJEBRM
C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000409066497	1066826177	/nfs/dbraw/zinc/82/61/77/1066826177.db2.gz	AWYXPOURNYGJSY-UHFFFAOYSA-N	-1	0	505.611	4.868	40	30		KJEBRM
CCCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC	ZINC000409066530	1066316704	/nfs/dbraw/zinc/31/67/04/1066316704.db2.gz	VVSVPPPWKVBKQN-UHFFFAOYSA-N	-1	0	579.431	4.977	40	30		KJEBRM
C=CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409066670	1066826093	/nfs/dbraw/zinc/82/60/93/1066826093.db2.gz	PEYURNAGWJYFDW-WOJGMQOQSA-N	-1	0	551.358	4.799	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OC	ZINC000409066692	1066316688	/nfs/dbraw/zinc/31/66/88/1066316688.db2.gz	MAQNOZDVTWRSAE-UHFFFAOYSA-N	-1	0	565.404	4.587	40	30		KJEBRM
C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1Br	ZINC000409067001	1066826149	/nfs/dbraw/zinc/82/61/49/1066826149.db2.gz	OMNXKUDSRRJQFD-UHFFFAOYSA-N	-1	0	500.389	4.902	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1	ZINC000409067022	1066826068	/nfs/dbraw/zinc/82/60/68/1066826068.db2.gz	NJHALHXKMBEQOX-XQNSMLJCSA-N	-1	0	567.019	4.901	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409067146	1066826038	/nfs/dbraw/zinc/82/60/38/1066826038.db2.gz	PHYONXYBGKPNSM-HYARGMPZSA-N	-1	0	570.982	4.650	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409067198	1066826159	/nfs/dbraw/zinc/82/61/59/1066826159.db2.gz	OFVAUAMIPWWKKQ-HYARGMPZSA-N	-1	0	567.019	4.820	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409067235	1066825427	/nfs/dbraw/zinc/82/54/27/1066825427.db2.gz	OQNCUGDKPAPZFP-NLRVBDNBSA-N	-1	0	590.654	4.955	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409067555	1066845523	/nfs/dbraw/zinc/84/55/23/1066845523.db2.gz	FFVBKPPLGHRADE-PCLIKHOPSA-N	-1	0	557.559	4.976	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409067670	1066845566	/nfs/dbraw/zinc/84/55/66/1066845566.db2.gz	QOZQGWWXOSSNCW-HZHRSRAPSA-N	-1	0	583.018	4.607	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1	ZINC000409067707	1066845495	/nfs/dbraw/zinc/84/54/95/1066845495.db2.gz	QWDGRJUQSXQGPK-PCLIKHOPSA-N	-1	0	558.562	4.985	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000409068000	1066845551	/nfs/dbraw/zinc/84/55/51/1066845551.db2.gz	SDARKDLQPQSMMQ-BUVRLJJBSA-N	-1	0	544.535	4.595	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409068285	1066844818	/nfs/dbraw/zinc/84/48/18/1066844818.db2.gz	LCMHYUZUBAEXIM-HLNFITAXSA-N	-1	0	538.363	4.631	40	30		KJEBRM
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)[O-]	ZINC000409068290	1066844611	/nfs/dbraw/zinc/84/46/11/1066844611.db2.gz	IKSOYWSBELKZDO-UHFFFAOYSA-N	-1	0	532.431	4.894	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000409068338	1066844657	/nfs/dbraw/zinc/84/46/57/1066844657.db2.gz	ALCBASGHRZRKBP-YDZHTSKRSA-N	-1	0	531.496	4.716	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409068370	1066844744	/nfs/dbraw/zinc/84/47/44/1066844744.db2.gz	INUIYSSPWNYWJA-BUVRLJJBSA-N	-1	0	572.530	4.876	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409068650	1066844115	/nfs/dbraw/zinc/84/41/15/1066844115.db2.gz	SGKMPDFABQESCM-HMMYKYKNSA-N	-1	0	552.992	4.511	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409068656	1066844261	/nfs/dbraw/zinc/84/42/61/1066844261.db2.gz	SIWHTGKJKVXHDJ-RCCKNPSSSA-N	-1	0	567.019	4.820	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2O)C2=C1CCCC2=O	ZINC000409068755	1066844324	/nfs/dbraw/zinc/84/43/24/1066844324.db2.gz	HVPMMRUHAXBBAC-UHFFFAOYSA-N	-1	0	539.220	4.805	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccccc1	ZINC000409069041	1066843622	/nfs/dbraw/zinc/84/36/22/1066843622.db2.gz	UKAVUIVIPNYHHS-UHFFFAOYSA-N	-1	0	616.486	4.723	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OC	ZINC000409069055	1066843594	/nfs/dbraw/zinc/84/35/94/1066843594.db2.gz	UOBKHDANZKOCPX-UHFFFAOYSA-N	-1	0	518.404	4.745	40	30		KJEBRM
C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O	ZINC000409069131	1066843614	/nfs/dbraw/zinc/84/36/14/1066843614.db2.gz	WJHSNCJPHPHEHZ-WOJGMQOQSA-N	-1	0	521.332	4.791	40	30		KJEBRM
CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC	ZINC000409069282	1066843014	/nfs/dbraw/zinc/84/30/14/1066843014.db2.gz	IHIYIUPKHUUMCB-UHFFFAOYSA-N	-1	0	565.404	4.587	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C2=C1CCCC2=O	ZINC000409069285	1066843047	/nfs/dbraw/zinc/84/30/47/1066843047.db2.gz	VLIMOOOCMPEBOH-UHFFFAOYSA-N	-1	0	542.009	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000409069465	1066842823	/nfs/dbraw/zinc/84/28/23/1066842823.db2.gz	DACIFNHFMHUSLY-HYARGMPZSA-N	-1	0	531.496	4.716	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000409069490	1066843070	/nfs/dbraw/zinc/84/30/70/1066843070.db2.gz	LBIKXDQPFNKODB-UHFFFAOYSA-N	-1	0	565.644	4.659	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccccc1F	ZINC000409069508	1066842960	/nfs/dbraw/zinc/84/29/60/1066842960.db2.gz	VVXQECQPUYMVBD-HZHRSRAPSA-N	-1	0	516.525	4.904	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccccc1	ZINC000409069560	1066843040	/nfs/dbraw/zinc/84/30/40/1066843040.db2.gz	VYCWEPGGRCWBQC-OEAKJJBVSA-N	-1	0	513.506	4.577	40	30		KJEBRM
C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409069598	1066842904	/nfs/dbraw/zinc/84/29/04/1066842904.db2.gz	WEAZBROIWZPVCH-UHFFFAOYSA-N	-1	0	577.655	4.689	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409069688	1066842886	/nfs/dbraw/zinc/84/28/86/1066842886.db2.gz	XAZLWKWEJYJDAR-HZHRSRAPSA-N	-1	0	513.506	4.577	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409069787	1066843024	/nfs/dbraw/zinc/84/30/24/1066843024.db2.gz	WQSLVKSJGYKWTP-LFVJCYFKSA-N	-1	0	625.055	4.688	40	30		KJEBRM
C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409069847	1066318726	/nfs/dbraw/zinc/31/87/26/1066318726.db2.gz	ATYJDRSLXDOYBZ-WOJGMQOQSA-N	-1	0	504.358	4.957	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000409069861	1066842178	/nfs/dbraw/zinc/84/21/78/1066842178.db2.gz	YBZJKMNDNKYSLX-UHFFFAOYSA-N	-1	0	663.486	4.566	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000409069870	1066842405	/nfs/dbraw/zinc/84/24/05/1066842405.db2.gz	YDVHUMNXGHNEOC-HZHRSRAPSA-N	-1	0	544.535	4.595	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409069907	1066842869	/nfs/dbraw/zinc/84/28/69/1066842869.db2.gz	BMKBHYXTDVJGAO-JJIBRWJFSA-N	-1	0	546.601	4.556	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409070002	1066318306	/nfs/dbraw/zinc/31/83/06/1066318306.db2.gz	MOIOCDZGRVAUAW-PCLIKHOPSA-N	-1	0	585.569	4.754	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000409070131	1066842272	/nfs/dbraw/zinc/84/22/72/1066842272.db2.gz	XPYSJBMEWLNXHP-OEAKJJBVSA-N	-1	0	531.496	4.716	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1	ZINC000409070275	1066842317	/nfs/dbraw/zinc/84/23/17/1066842317.db2.gz	ZRFMHQONCQRDGX-XIEYBQDHSA-N	-1	0	576.627	4.647	40	30		KJEBRM
C#CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OCC	ZINC000409070280	1066842283	/nfs/dbraw/zinc/84/22/83/1066842283.db2.gz	NTTHMCASQIMJKA-UHFFFAOYSA-N	-1	0	503.595	4.714	40	30		KJEBRM
C=CCOc1ccc(Br)cc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2	ZINC000409070479	1066841883	/nfs/dbraw/zinc/84/18/83/1066841883.db2.gz	YHNTZGCWLAJOIR-UHFFFAOYSA-N	-1	0	500.389	4.902	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409070492	1066841834	/nfs/dbraw/zinc/84/18/34/1066841834.db2.gz	YMRMNNZREBQGHE-UHFFFAOYSA-N	-1	0	572.035	4.614	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCC(=O)[O-]	ZINC000409070593	1066841900	/nfs/dbraw/zinc/84/19/00/1066841900.db2.gz	CMKLSDVALQLWJY-LIMNOBDPSA-N	-1	0	506.231	4.684	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000409070782	1066841825	/nfs/dbraw/zinc/84/18/25/1066841825.db2.gz	ZGOKQINHNZOEKM-BUVRLJJBSA-N	-1	0	516.525	4.817	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1cccc(F)c1	ZINC000409070788	1066841815	/nfs/dbraw/zinc/84/18/15/1066841815.db2.gz	GUZFEXGDYPKUJZ-BUVRLJJBSA-N	-1	0	516.525	4.904	40	30		KJEBRM
CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC	ZINC000409070866	1066841877	/nfs/dbraw/zinc/84/18/77/1066841877.db2.gz	PESCZFBJWWNIEV-UHFFFAOYSA-N	-1	0	518.404	4.745	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C2=C1CCCC2=O	ZINC000409070922	1066841248	/nfs/dbraw/zinc/84/12/48/1066841248.db2.gz	HJGFXMNIXAYJQK-UHFFFAOYSA-N	-1	0	556.036	4.996	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409071157	1066841119	/nfs/dbraw/zinc/84/11/19/1066841119.db2.gz	FGWFYRBDOOLDER-PXLXIMEGSA-N	-1	0	552.992	4.511	40	30		KJEBRM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)[N-]C2=S)c(OC)c1	ZINC000409071206	1066840533	/nfs/dbraw/zinc/84/05/33/1066840533.db2.gz	IOULBMDWEWMXDO-UDWIEESQSA-N	-1	0	546.674	4.755	40	30		KJEBRM
C=CCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000409071269	1066840638	/nfs/dbraw/zinc/84/06/38/1066840638.db2.gz	JBZUYZBLJYCFIF-WOJGMQOQSA-N	-1	0	504.358	4.957	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409071287	1066318628	/nfs/dbraw/zinc/31/86/28/1066318628.db2.gz	QJPKJWTXNJNIJA-LFVJCYFKSA-N	-1	0	564.591	4.695	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C2=C1CCCC2=O	ZINC000409071294	1066841206	/nfs/dbraw/zinc/84/12/06/1066841206.db2.gz	GNORSJQTHMIGLH-UHFFFAOYSA-N	-1	0	556.036	4.996	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000409071302	1066841137	/nfs/dbraw/zinc/84/11/37/1066841137.db2.gz	GPIMFTVSKKJNFE-BUVRLJJBSA-N	-1	0	516.525	4.817	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000409071487	1066840512	/nfs/dbraw/zinc/84/05/12/1066840512.db2.gz	RPOXDKREBZAGDE-BUVRLJJBSA-N	-1	0	527.533	4.967	40	30		KJEBRM
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])c(Br)c1	ZINC000409071576	1066318506	/nfs/dbraw/zinc/31/85/06/1066318506.db2.gz	KHUYFRFGMJEONO-UHFFFAOYSA-N	-1	0	502.405	4.886	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1	ZINC000409071606	1066840050	/nfs/dbraw/zinc/84/00/50/1066840050.db2.gz	KOKWFWWDYZEBDM-BUVRLJJBSA-N	-1	0	516.525	4.904	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409071875	1066840205	/nfs/dbraw/zinc/84/02/05/1066840205.db2.gz	SQDJWJBHSIWRSL-CAUNFOBBSA-N	-1	0	525.579	4.689	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409071880	1066840120	/nfs/dbraw/zinc/84/01/20/1066840120.db2.gz	SQDJWJBHSIWRSL-SITPEIFSSA-N	-1	0	525.579	4.689	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409072114	1066318660	/nfs/dbraw/zinc/31/86/60/1066318660.db2.gz	BIZKTSZWQRWYNS-HZHRSRAPSA-N	-1	0	583.018	4.520	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409072179	1066840091	/nfs/dbraw/zinc/84/00/91/1066840091.db2.gz	MGVLGVDJDAOVFY-HZHRSRAPSA-N	-1	0	567.019	4.820	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409072229	1066840189	/nfs/dbraw/zinc/84/01/89/1066840189.db2.gz	JJRIAPBFUSPTSJ-KOEQRZSOSA-N	-1	0	576.627	4.565	40	30		KJEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409072272	1066203707	/nfs/dbraw/zinc/20/37/07/1066203707.db2.gz	URQHPYJKZSBFOE-BRJLIKDPSA-N	-1	0	515.320	4.874	40	30		KJEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC	ZINC000409072496	1066839368	/nfs/dbraw/zinc/83/93/68/1066839368.db2.gz	VQRQTEHBXMALDY-NLRVBDNBSA-N	-1	0	522.557	4.681	40	30		KJEBRM
COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)[O-])c(OC)c2)C2=C1CC(C)(C)CC2=O	ZINC000409072503	1066839508	/nfs/dbraw/zinc/83/95/08/1066839508.db2.gz	SGPCWASCFAKWHB-UHFFFAOYSA-N	-1	0	525.642	4.881	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1	ZINC000409072608	1066839423	/nfs/dbraw/zinc/83/94/23/1066839423.db2.gz	CYIDBKZBLZLABY-LTGZKZEYSA-N	-1	0	567.019	4.901	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409072738	1066839464	/nfs/dbraw/zinc/83/94/64/1066839464.db2.gz	DCXYIZGJYRTLRP-HZHRSRAPSA-N	-1	0	612.016	4.810	40	30		KJEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(I)c([O-])c(I)c1	ZINC000409072760	1066319159	/nfs/dbraw/zinc/31/91/59/1066319159.db2.gz	DFWWKJCNCZNPFL-CGOBSMCZSA-N	-1	0	577.038	4.974	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409072872	1066839490	/nfs/dbraw/zinc/83/94/90/1066839490.db2.gz	NVROSORKVYDNDS-PXLXIMEGSA-N	-1	0	597.443	4.620	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(I)c1OCC(=O)[O-]	ZINC000409072939	1066838969	/nfs/dbraw/zinc/83/89/69/1066838969.db2.gz	OAKJPTSJODFAMU-UHFFFAOYSA-N	-1	0	565.404	4.587	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409072959	1066839040	/nfs/dbraw/zinc/83/90/40/1066839040.db2.gz	UJKMPLCVDLKSKZ-PCLIKHOPSA-N	-1	0	557.559	4.976	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409072961	1066839071	/nfs/dbraw/zinc/83/90/71/1066839071.db2.gz	OCMFOMXIKRDDDP-HYARGMPZSA-N	-1	0	552.992	4.511	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000409073173	1066839128	/nfs/dbraw/zinc/83/91/28/1066839128.db2.gz	XXLSSCNERCCLLV-PCLIKHOPSA-N	-1	0	540.572	4.764	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C2=C1CCCC2=O	ZINC000409073328	1066839134	/nfs/dbraw/zinc/83/91/34/1066839134.db2.gz	MIZZFYVLJMVBAM-UHFFFAOYSA-N	-1	0	556.036	4.996	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000409073344	1066838955	/nfs/dbraw/zinc/83/89/55/1066838955.db2.gz	YDUIMGZCQGZBFJ-ZVHZXABRSA-N	-1	0	527.533	4.886	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409073371	1066838405	/nfs/dbraw/zinc/83/84/05/1066838405.db2.gz	MNRXHZZFWTTXBV-OEAKJJBVSA-N	-1	0	612.016	4.810	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000409073385	1066838451	/nfs/dbraw/zinc/83/84/51/1066838451.db2.gz	MPERLFHJFAMDFN-UHFFFAOYSA-N	-1	0	565.644	4.659	40	30		KJEBRM
C=CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC	ZINC000409073451	1066838345	/nfs/dbraw/zinc/83/83/45/1066838345.db2.gz	YZVVPXHUNPTOGB-UHFFFAOYSA-N	-1	0	530.415	4.911	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccccc1	ZINC000409073469	1066838378	/nfs/dbraw/zinc/83/83/78/1066838378.db2.gz	NKEPHJYTAGSDFS-UHFFFAOYSA-N	-1	0	565.644	4.741	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C2=C1CCCC2=O	ZINC000409073473	1066838482	/nfs/dbraw/zinc/83/84/82/1066838482.db2.gz	NKMIITKNKJBWPA-UHFFFAOYSA-N	-1	0	556.036	4.996	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C2=C1CCCC2=O	ZINC000409073495	1066839098	/nfs/dbraw/zinc/83/90/98/1066839098.db2.gz	ZMEOGNIOMGZGQS-UHFFFAOYSA-N	-1	0	542.009	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409073544	1066838498	/nfs/dbraw/zinc/83/84/98/1066838498.db2.gz	ZUVWVKVXRAFFCK-PXLXIMEGSA-N	-1	0	552.992	4.511	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409073554	1066319264	/nfs/dbraw/zinc/31/92/64/1066319264.db2.gz	ZWICLVOKGFEZDS-HZHRSRAPSA-N	-1	0	611.470	4.929	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409073643	1066319321	/nfs/dbraw/zinc/31/93/21/1066319321.db2.gz	QWGMUBGYIVRPQD-ZVHZXABRSA-N	-1	0	572.530	4.876	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000409073705	1066319404	/nfs/dbraw/zinc/31/94/04/1066319404.db2.gz	XADUNUGQKQPOQN-BUVRLJJBSA-N	-1	0	527.533	4.886	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409073711	1066838523	/nfs/dbraw/zinc/83/85/23/1066838523.db2.gz	XARSZCHTEAHCLC-PCLIKHOPSA-N	-1	0	560.628	4.783	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000409073812	1066837930	/nfs/dbraw/zinc/83/79/30/1066837930.db2.gz	NNNPKWLSESNRNX-BUVRLJJBSA-N	-1	0	544.535	4.595	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OCC(=O)OC	ZINC000409073826	1066837839	/nfs/dbraw/zinc/83/78/39/1066837839.db2.gz	TYFSRXSIZPNWLL-KJEQNGCBSA-N	-1	0	563.426	4.722	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000409074158	1066837808	/nfs/dbraw/zinc/83/78/08/1066837808.db2.gz	KQCMWKAGFJFLOS-KOEQRZSOSA-N	-1	0	540.572	4.846	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1I	ZINC000409074181	1066837944	/nfs/dbraw/zinc/83/79/44/1066837944.db2.gz	SJTQCVXZWVMVHK-GEVRCRHISA-N	-1	0	588.074	4.890	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000409074182	1066837881	/nfs/dbraw/zinc/83/78/81/1066837881.db2.gz	KUIAQRHDMTYWLV-LFVJCYFKSA-N	-1	0	527.533	4.967	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1F	ZINC000409074216	1066319085	/nfs/dbraw/zinc/31/90/85/1066319085.db2.gz	LAKQFQDRZBFIFU-LFVJCYFKSA-N	-1	0	558.562	4.985	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccccc1	ZINC000409074358	1066319427	/nfs/dbraw/zinc/31/94/27/1066319427.db2.gz	QBVKSLIARIKRKT-HZHRSRAPSA-N	-1	0	567.019	4.901	40	30		KJEBRM
Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(CC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1	ZINC000409074362	1066837892	/nfs/dbraw/zinc/83/78/92/1066837892.db2.gz	QDMHIVSZYJKQPE-UHFFFAOYSA-N	-1	0	556.036	4.914	40	30		KJEBRM
C#CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OCC	ZINC000409074372	1066837926	/nfs/dbraw/zinc/83/79/26/1066837926.db2.gz	QIDVALHOGFVZEH-UHFFFAOYSA-N	-1	0	589.426	4.590	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000409074391	1066833949	/nfs/dbraw/zinc/83/39/49/1066833949.db2.gz	QRILASLFDNQUOR-LPYMAVHISA-N	-1	0	531.496	4.716	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C2=C1CCCC2=O	ZINC000409074428	1066833961	/nfs/dbraw/zinc/83/39/61/1066833961.db2.gz	LQFOYLFBXBIIFQ-UHFFFAOYSA-N	-1	0	586.460	4.715	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409074500	1066834482	/nfs/dbraw/zinc/83/44/82/1066834482.db2.gz	MGJJJLULBDMPDO-UHFFFAOYSA-N	-1	0	677.513	4.874	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409074681	1066837277	/nfs/dbraw/zinc/83/72/77/1066837277.db2.gz	UPORXTWKTFKVQA-LFVJCYFKSA-N	-1	0	527.533	4.967	40	30		KJEBRM
O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C2=C1CCCC2=O	ZINC000409074827	1066837325	/nfs/dbraw/zinc/83/73/25/1066837325.db2.gz	SFMBNSXYSNTQLE-UHFFFAOYSA-N	-1	0	556.036	4.996	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409074862	1066837310	/nfs/dbraw/zinc/83/73/10/1066837310.db2.gz	NHOQSHXWCDQUGI-OEAKJJBVSA-N	-1	0	567.019	4.820	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C2=C1CCCC2=O	ZINC000409075172	1066836515	/nfs/dbraw/zinc/83/65/15/1066836515.db2.gz	PGGDERZZHVYLIT-UHFFFAOYSA-N	-1	0	542.009	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000409075209	1066836648	/nfs/dbraw/zinc/83/66/48/1066836648.db2.gz	PSEIEGKGQLYCRO-OEAKJJBVSA-N	-1	0	502.498	4.514	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccccc1	ZINC000409075382	1066317680	/nfs/dbraw/zinc/31/76/80/1066317680.db2.gz	XXDUQFJSADERFB-UHFFFAOYSA-N	-1	0	677.513	4.956	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409075530	1066836152	/nfs/dbraw/zinc/83/61/52/1066836152.db2.gz	RKVWGDIONRJDQL-XQNSMLJCSA-N	-1	0	567.019	4.901	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000409075620	1066836192	/nfs/dbraw/zinc/83/61/92/1066836192.db2.gz	SJZXIDDDYXDQLK-YDZHTSKRSA-N	-1	0	531.496	4.716	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409075870	1066835498	/nfs/dbraw/zinc/83/54/98/1066835498.db2.gz	UWPZBCCJWAKYLZ-LFVJCYFKSA-N	-1	0	597.045	4.910	40	30		KJEBRM
C=CCOc1c(I)cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1OC	ZINC000409075969	1066835547	/nfs/dbraw/zinc/83/55/47/1066835547.db2.gz	ZQISZVANEGXTMD-UHFFFAOYSA-N	-1	0	577.415	4.753	40	30		KJEBRM
C=CCc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409076056	1066835582	/nfs/dbraw/zinc/83/55/82/1066835582.db2.gz	XDHWBGSURYRTDJ-UHFFFAOYSA-N	-1	0	526.545	4.861	40	30		KJEBRM
CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Br)c1OCC(=O)[O-]	ZINC000409076071	1066835429	/nfs/dbraw/zinc/83/54/29/1066835429.db2.gz	XJGXQSNYHLTYKO-UHFFFAOYSA-N	-1	0	518.404	4.745	40	30		KJEBRM
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1	ZINC000409076115	1066835374	/nfs/dbraw/zinc/83/53/74/1066835374.db2.gz	XYFFXYSUXHDFJN-UHFFFAOYSA-N	-1	0	556.036	4.914	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000409076124	1066835342	/nfs/dbraw/zinc/83/53/42/1066835342.db2.gz	YAYPNCNIPRKFME-OEAKJJBVSA-N	-1	0	531.496	4.716	40	30		KJEBRM
O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1O)C1c3ccccc3C2c2ccccc21	ZINC000409077012	1066834358	/nfs/dbraw/zinc/83/43/58/1066834358.db2.gz	CKAVDMCHGKEFKG-CBTDLIBYSA-N	-1	0	568.221	4.849	40	30		KJEBRM
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1O)C1c3ccccc3C2c2ccccc21	ZINC000409077013	1066834285	/nfs/dbraw/zinc/83/42/85/1066834285.db2.gz	CKAVDMCHGKEFKG-CSUXXBCKSA-N	-1	0	568.221	4.849	40	30		KJEBRM
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1O)C1c3ccccc3C2c2ccccc21	ZINC000409077014	1066834247	/nfs/dbraw/zinc/83/42/47/1066834247.db2.gz	CKAVDMCHGKEFKG-KOISPRCHSA-N	-1	0	568.221	4.849	40	30		KJEBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)o1	ZINC000409077331	1066849460	/nfs/dbraw/zinc/84/94/60/1066849460.db2.gz	DFFVAKBPIXQCRF-IBCJDINSSA-N	-1	0	533.496	4.779	40	30		KJEBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1	ZINC000409077336	1066849520	/nfs/dbraw/zinc/84/95/20/1066849520.db2.gz	DFFVAKBPIXQCRF-OWEVKFBVSA-N	-1	0	533.496	4.779	40	30		KJEBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1	ZINC000409077341	1066849509	/nfs/dbraw/zinc/84/95/09/1066849509.db2.gz	DFFVAKBPIXQCRF-TWQAGPMHSA-N	-1	0	533.496	4.779	40	30		KJEBRM
COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409077397	1066849489	/nfs/dbraw/zinc/84/94/89/1066849489.db2.gz	FNNZHSVBOBGLSN-ODLFYWEKSA-N	-1	0	555.324	4.922	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409077673	1066848887	/nfs/dbraw/zinc/84/88/87/1066848887.db2.gz	FSORZYUHEWUSCO-FYJGNVAPSA-N	-1	0	574.502	4.795	40	30		KJEBRM
Cc1ccc(S(=O)(=O)Oc2cccc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)c2)cc1	ZINC000409078595	1066848320	/nfs/dbraw/zinc/84/83/20/1066848320.db2.gz	IZIJJKBJRMBWKO-UHFFFAOYSA-N	-1	0	535.618	4.651	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409079034	1066847579	/nfs/dbraw/zinc/84/75/79/1066847579.db2.gz	JTOZZJJTZDAAKN-RGVLZGJSSA-N	-1	0	589.473	4.607	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409079270	1066847108	/nfs/dbraw/zinc/84/71/08/1066847108.db2.gz	JCCFQLUDRZUNJX-FYJGNVAPSA-N	-1	0	574.502	4.707	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409080377	1066845898	/nfs/dbraw/zinc/84/58/98/1066845898.db2.gz	NJTFRAVJYFJIOK-HYARGMPZSA-N	-1	0	616.539	4.876	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409080907	1066845929	/nfs/dbraw/zinc/84/59/29/1066845929.db2.gz	OFJXTYBYJOJUES-CIAFOILYSA-N	-1	0	603.500	4.997	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C2=C1CCCC2=O	ZINC000409081314	1066855417	/nfs/dbraw/zinc/85/54/17/1066855417.db2.gz	HBWYXQHMYVARBN-UHFFFAOYSA-N	-1	0	533.493	4.793	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409082762	1066854288	/nfs/dbraw/zinc/85/42/88/1066854288.db2.gz	RDERJQXZLQGHJR-UDWIEESQSA-N	-1	0	589.473	4.607	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409083903	1066852315	/nfs/dbraw/zinc/85/23/15/1066852315.db2.gz	VYZQFSOCATZAKZ-UDWIEESQSA-N	-1	0	562.466	4.838	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409083934	1066852422	/nfs/dbraw/zinc/85/24/22/1066852422.db2.gz	LWKCADZECLEVJH-DEDYPNTBSA-N	-1	0	544.476	4.699	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OS(=O)(=O)c1ccccc1	ZINC000409085178	1066851750	/nfs/dbraw/zinc/85/17/50/1066851750.db2.gz	YXDJDZNRXAZFCF-UHFFFAOYSA-N	-1	0	572.035	4.614	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O	ZINC000409086287	1066850656	/nfs/dbraw/zinc/85/06/56/1066850656.db2.gz	YXLGWSKRKRXCMO-UHFFFAOYSA-N	-1	0	533.493	4.793	40	30		KJEBRM
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409089327	1066868162	/nfs/dbraw/zinc/86/81/62/1066868162.db2.gz	INLPELGQLSARIU-UHFFFAOYSA-N	-1	0	563.519	4.802	40	30		KJEBRM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C2=C1CCCC2=O	ZINC000409090843	1066866493	/nfs/dbraw/zinc/86/64/93/1066866493.db2.gz	QQXCKJROWJTSLM-UHFFFAOYSA-N	-1	0	533.493	4.793	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409090942	1066865826	/nfs/dbraw/zinc/86/58/26/1066865826.db2.gz	NXGHELGBGFFUAD-FYJGNVAPSA-N	-1	0	603.500	4.997	40	30		KJEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(I)cc(I)c1[O-]	ZINC000409094207	1066861710	/nfs/dbraw/zinc/86/17/10/1066861710.db2.gz	BXPHKMZBPQFZOY-CGOBSMCZSA-N	-1	0	577.038	4.974	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(OCC)c1OCC(=O)Nc1ccc(F)cc1	ZINC000409094857	1066860644	/nfs/dbraw/zinc/86/06/44/1066860644.db2.gz	GAXWFJRSZOLPNX-KGENOOAVSA-N	-1	0	544.626	4.646	40	30		KJEBRM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(C#N)cc1	ZINC000409096946	1066856571	/nfs/dbraw/zinc/85/65/71/1066856571.db2.gz	LQUOUYUVFOSGHK-VCHYOVAHSA-N	-1	0	533.425	4.584	40	30		KJEBRM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000409098126	1066877474	/nfs/dbraw/zinc/87/74/74/1066877474.db2.gz	PMHIPHMSAJBJMH-VCHYOVAHSA-N	-1	0	533.425	4.584	40	30		KJEBRM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)c1	ZINC000409098370	1066322209	/nfs/dbraw/zinc/32/22/09/1066322209.db2.gz	QCAPRRJWWPORPN-SSGMKTMXSA-N	-1	0	516.623	4.502	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OCC(=O)[O-]	ZINC000409098463	1066321949	/nfs/dbraw/zinc/32/19/49/1066321949.db2.gz	QJGGLADBKJAOEM-LIMNOBDPSA-N	-1	0	506.231	4.684	40	30		KJEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000409099598	1066875333	/nfs/dbraw/zinc/87/53/33/1066875333.db2.gz	ORFZDRPQPSEKNG-BRJLIKDPSA-N	-1	0	515.320	4.874	40	30		KJEBRM
N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1Br	ZINC000409099762	1066875408	/nfs/dbraw/zinc/87/54/08/1066875408.db2.gz	LLEJISCCKIOBQU-VCHYOVAHSA-N	-1	0	503.399	4.576	40	30		KJEBRM
O=C([O-])COc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1I	ZINC000409099916	1066874813	/nfs/dbraw/zinc/87/48/13/1066874813.db2.gz	RNUNDVONDNKXRW-GEVRCRHISA-N	-1	0	635.074	4.732	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(I)cc(CN=Nc3ncccc3[N+](=O)[O-])cc2I)cc1	ZINC000409102696	1066323178	/nfs/dbraw/zinc/32/31/78/1066323178.db2.gz	SZDKYLKPDGMBKA-YSURURNPSA-N	-1	0	644.163	4.922	40	30		KJEBRM
CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(I)c1OCC(=O)[O-]	ZINC000409103481	1066885124	/nfs/dbraw/zinc/88/51/24/1066885124.db2.gz	WTBPZGKUWKKXGL-LIMNOBDPSA-N	-1	0	553.231	4.526	40	30		KJEBRM
CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409105383	1066882194	/nfs/dbraw/zinc/88/21/94/1066882194.db2.gz	IXBMIUSQPFOPOX-BRJLIKDPSA-N	-1	0	562.320	4.716	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409105585	1066882174	/nfs/dbraw/zinc/88/21/74/1066882174.db2.gz	LGIWGBUWMGICBN-WGOQTCKBSA-N	-1	0	569.614	4.931	40	30		KJEBRM
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000409106057	1066881622	/nfs/dbraw/zinc/88/16/22/1066881622.db2.gz	QEMGLSHFLHZCEQ-YBFXNURJSA-N	-1	0	547.452	4.974	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(I)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409106886	1066879840	/nfs/dbraw/zinc/87/98/40/1066879840.db2.gz	NIBYQTHFYRIGCP-GEVRCRHISA-N	-1	0	588.074	4.890	40	30		KJEBRM
CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)SC1=Nc1ccc(N2CCOCC2)cc1	ZINC000409107595	1066894938	/nfs/dbraw/zinc/89/49/38/1066894938.db2.gz	SAJRLUPMGXTYHP-QFQBBHSUSA-N	-1	0	502.596	4.636	40	30		KJEBRM
C=CCc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1OCc1ccc(Br)cc1	ZINC000409122769	1066895838	/nfs/dbraw/zinc/89/58/38/1066895838.db2.gz	BOLCGKWOBIGKKL-YBFXNURJSA-N	-1	0	518.385	4.886	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OCCC	ZINC000409124524	1066325817	/nfs/dbraw/zinc/32/58/17/1066325817.db2.gz	KUFMXBRPHQNEGP-PXLXIMEGSA-N	-1	0	522.598	4.672	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1OCC	ZINC000409126760	1066899977	/nfs/dbraw/zinc/89/99/77/1066899977.db2.gz	FYVLMBNICBZTGH-PXLXIMEGSA-N	-1	0	522.598	4.672	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000409126812	1066899347	/nfs/dbraw/zinc/89/93/47/1066899347.db2.gz	PILACVPOZSUGPF-YZSQISJMSA-N	-1	0	634.707	4.959	40	30		KJEBRM
N#Cc1ccccc1COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409127524	1066910551	/nfs/dbraw/zinc/91/05/51/1066910551.db2.gz	NKYPHJKPNXFXSP-FRKPEAEDSA-N	-1	0	552.200	4.783	40	30		KJEBRM
N#Cc1ccccc1COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000409130754	1066908164	/nfs/dbraw/zinc/90/81/64/1066908164.db2.gz	NCWJPKVXJATCDY-FRKPEAEDSA-N	-1	0	507.749	4.674	40	30		KJEBRM
O=C(N=C1NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S1)c1ccc(Cl)cc1	ZINC000409132491	1066906846	/nfs/dbraw/zinc/90/68/46/1066906846.db2.gz	YFPUKFRWPUJGII-QPEQYQDCSA-N	-1	0	516.598	4.971	40	30		KJEBRM
C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O	ZINC000409135457	1066904427	/nfs/dbraw/zinc/90/44/27/1066904427.db2.gz	RCLOJDQYOFBBRT-LDADJPATSA-N	-1	0	606.267	4.683	40	30		KJEBRM
CCOc1cc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000409136056	1066904077	/nfs/dbraw/zinc/90/40/77/1066904077.db2.gz	WIVMRFWOERRLHE-JOCHJYFZSA-N	-1	0	572.408	4.589	40	30		KJEBRM
CCOc1cc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000409136057	1066903988	/nfs/dbraw/zinc/90/39/88/1066903988.db2.gz	WIVMRFWOERRLHE-QFIPXVFZSA-N	-1	0	572.408	4.589	40	30		KJEBRM
C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OCC	ZINC000409138378	1066916374	/nfs/dbraw/zinc/91/63/74/1066916374.db2.gz	AWFGWNJTKLQSDE-XQNSMLJCSA-N	-1	0	534.609	4.838	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Br	ZINC000409141164	1066914042	/nfs/dbraw/zinc/91/40/42/1066914042.db2.gz	HRHGPZNSYPNNIV-LICLKQGHSA-N	-1	0	606.267	4.683	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OCC	ZINC000409141987	1066328374	/nfs/dbraw/zinc/32/83/74/1066328374.db2.gz	KQIUSFDUDROELG-XDHOZWIPSA-N	-1	0	620.440	4.714	40	30		KJEBRM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OCC	ZINC000409142379	1066912905	/nfs/dbraw/zinc/91/29/05/1066912905.db2.gz	KBKLCUACSLXQGC-XDHOZWIPSA-N	-1	0	528.989	4.763	40	30		KJEBRM
C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409143652	1066911607	/nfs/dbraw/zinc/91/16/07/1066911607.db2.gz	MWBCIUDFZQBEFS-LICLKQGHSA-N	-1	0	536.176	4.568	40	30		KJEBRM
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(I)c([O-])c(I)c1)C1c3ccccc3C2c2ccccc21	ZINC000409144092	1066911588	/nfs/dbraw/zinc/91/15/88/1066911588.db2.gz	JNIJNUBTBAUHBQ-FTQCWTENSA-N	-1	0	646.222	4.828	40	30		KJEBRM
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(I)c([O-])c(I)c1)C1c3ccccc3C2c2ccccc21	ZINC000409144101	1066911544	/nfs/dbraw/zinc/91/15/44/1066911544.db2.gz	JNIJNUBTBAUHBQ-JEENWQEUSA-N	-1	0	646.222	4.828	40	30		KJEBRM
O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc(I)c([O-])c(I)c1)C1c3ccccc3C2c2ccccc21	ZINC000409144113	1066911678	/nfs/dbraw/zinc/91/16/78/1066911678.db2.gz	JNIJNUBTBAUHBQ-SWAOCSHASA-N	-1	0	646.222	4.828	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409148354	1066927151	/nfs/dbraw/zinc/92/71/51/1066927151.db2.gz	PJVKKKRHPXLKAS-KOEQRZSOSA-N	-1	0	620.680	4.651	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OCC	ZINC000409148368	1066927614	/nfs/dbraw/zinc/92/76/14/1066927614.db2.gz	PLYGIXNQKUOIJL-XDHOZWIPSA-N	-1	0	573.440	4.872	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	ZINC000409150068	1066328647	/nfs/dbraw/zinc/32/86/47/1066328647.db2.gz	ZMLTVBQTBAWWRF-WOJGMQOQSA-N	-1	0	598.871	4.820	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409165897	1066928279	/nfs/dbraw/zinc/92/82/79/1066928279.db2.gz	ADDOCMKUKGMDQX-FRKPEAEDSA-N	-1	0	507.749	4.674	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409166077	1066928296	/nfs/dbraw/zinc/92/82/96/1066928296.db2.gz	CTQIPMBWMNTKDJ-FRKPEAEDSA-N	-1	0	599.200	4.625	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(I)c2)C1=O	ZINC000409167858	1066945059	/nfs/dbraw/zinc/94/50/59/1066945059.db2.gz	OOQZQZBVAVLECV-VIZOYTHASA-N	-1	0	541.164	4.867	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409169353	1066943472	/nfs/dbraw/zinc/94/34/72/1066943472.db2.gz	XTIPGGIGZXDKLY-FRKPEAEDSA-N	-1	0	552.200	4.783	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409174282	1066939489	/nfs/dbraw/zinc/93/94/89/1066939489.db2.gz	QQRMIPVLNSSVTP-OMCISZLKSA-N	-1	0	599.200	4.625	40	30		KJEBRM
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)[N-]C1=S	ZINC000409174593	1066938929	/nfs/dbraw/zinc/93/89/29/1066938929.db2.gz	VFIMNPJPPJSNOD-CPNJWEJPSA-N	-1	0	516.648	4.746	40	30		KJEBRM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409175842	1066938193	/nfs/dbraw/zinc/93/81/93/1066938193.db2.gz	VNVPDLPXARAMTG-VIZOYTHASA-N	-1	0	588.164	4.710	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl	ZINC000409187940	1066956435	/nfs/dbraw/zinc/95/64/35/1066956435.db2.gz	DIPXJZGAXFDZEC-WOJGMQOQSA-N	-1	0	531.392	4.855	40	30		KJEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Br	ZINC000409188399	1066334199	/nfs/dbraw/zinc/33/41/99/1066334199.db2.gz	HEUKPDGRDLFFAA-CPNJWEJPSA-N	-1	0	543.414	4.863	40	30		KJEBRM
C=CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O	ZINC000409188422	1066334538	/nfs/dbraw/zinc/33/45/38/1066334538.db2.gz	HLWPSZCEDYKQLC-HMMYKYKNSA-N	-1	0	543.414	4.863	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OC	ZINC000409189525	1066956041	/nfs/dbraw/zinc/95/60/41/1066956041.db2.gz	QCILCOVHHVFJRA-XDHOZWIPSA-N	-1	0	620.440	4.714	40	30		KJEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC	ZINC000409190141	1066955621	/nfs/dbraw/zinc/95/56/21/1066955621.db2.gz	LIFAHUPZSAURKP-DEDYPNTBSA-N	-1	0	585.451	4.709	40	30		KJEBRM
C=CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OC	ZINC000409190513	1066955121	/nfs/dbraw/zinc/95/51/21/1066955121.db2.gz	YQGSEVVCOHEFGA-XQNSMLJCSA-N	-1	0	534.609	4.838	40	30		KJEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC	ZINC000409191338	1066954182	/nfs/dbraw/zinc/95/41/82/1066954182.db2.gz	WDBINKPJISQGOM-DEDYPNTBSA-N	-1	0	541.000	4.600	40	30		KJEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC	ZINC000409191882	1066954365	/nfs/dbraw/zinc/95/43/65/1066954365.db2.gz	PMBINUBBDIJUIR-JJIBRWJFSA-N	-1	0	546.620	4.675	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OCC)c1OC	ZINC000409193248	1066335422	/nfs/dbraw/zinc/33/54/22/1066335422.db2.gz	HWJZYWLHMUIXGU-PXLXIMEGSA-N	-1	0	522.598	4.672	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OCC	ZINC000409193322	1066949445	/nfs/dbraw/zinc/94/94/45/1066949445.db2.gz	IVVVMRJWTSUVKS-DEDYPNTBSA-N	-1	0	632.451	4.551	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc(OC)c1OCC	ZINC000409194528	1066952219	/nfs/dbraw/zinc/95/22/19/1066952219.db2.gz	ORGAFMXRVZZTCV-PXLXIMEGSA-N	-1	0	522.598	4.672	40	30		KJEBRM
C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OC	ZINC000409194755	1066951946	/nfs/dbraw/zinc/95/19/46/1066951946.db2.gz	QPBONSITQYXPNL-XDHOZWIPSA-N	-1	0	528.989	4.763	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OC	ZINC000409195444	1066951442	/nfs/dbraw/zinc/95/14/42/1066951442.db2.gz	UOWUATRKXUWTTG-XDHOZWIPSA-N	-1	0	573.440	4.872	40	30		KJEBRM
C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O	ZINC000409196198	1066950459	/nfs/dbraw/zinc/95/04/59/1066950459.db2.gz	UMJAOPUSFGBDSJ-CPNJWEJPSA-N	-1	0	531.392	4.855	40	30		KJEBRM
CC(C)/N=C1\S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C(=O)N1C(C)C	ZINC000409201324	1066961636	/nfs/dbraw/zinc/96/16/36/1066961636.db2.gz	LMWYNWAKCMXBCF-KFOSQFEPSA-N	-1	0	567.243	4.606	40	30		KJEBRM
CC(C)/N=C1\S/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)N1C(C)C	ZINC000409202039	1066337121	/nfs/dbraw/zinc/33/71/21/1066337121.db2.gz	OAQSISLPKNSIRA-MMPDNZJGSA-N	-1	0	509.207	4.848	40	30		KJEBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1	ZINC000409207745	1066964314	/nfs/dbraw/zinc/96/43/14/1066964314.db2.gz	YYFLJSBTKVZCJQ-YUMHPJSZSA-N	-1	0	508.578	4.949	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409208242	1066964384	/nfs/dbraw/zinc/96/43/84/1066964384.db2.gz	BFZKBVYBIMDUEE-MFKUBSTISA-N	-1	0	573.577	4.762	40	30		KJEBRM
CC(C)/N=C1\S/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1C(C)C	ZINC000409210481	1066966351	/nfs/dbraw/zinc/96/63/51/1066966351.db2.gz	JBQJUFXLLBYIOX-MMPDNZJGSA-N	-1	0	556.207	4.691	40	30		KJEBRM
Cc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409212576	1066965775	/nfs/dbraw/zinc/96/57/75/1066965775.db2.gz	NCIGWHFHODDJIJ-KSVGNYRWSA-N	-1	0	516.623	4.863	40	30		KJEBRM
CC(C)/N=C1\S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C(=O)N1C(C)C	ZINC000409213108	1066965958	/nfs/dbraw/zinc/96/59/58/1066965958.db2.gz	SKTWXZMZYPUPCW-NBUUZRHISA-N	-1	0	520.243	4.764	40	30		KJEBRM
CC(C)/N=C1\S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C(=O)N1C(C)C	ZINC000409217060	1066964670	/nfs/dbraw/zinc/96/46/70/1066964670.db2.gz	NPHBUNNIEFHPGR-NBUUZRHISA-N	-1	0	567.243	4.606	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2[O-])S/C1=N/c1ccc(F)cc1	ZINC000409229227	1066972894	/nfs/dbraw/zinc/97/28/94/1066972894.db2.gz	LTHJHLGRKPWQGZ-FNGWJHHRSA-N	-1	0	513.288	4.668	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409229707	1066972847	/nfs/dbraw/zinc/97/28/47/1066972847.db2.gz	TZEKCDIMZMSHAS-VTNZUCANSA-N	-1	0	535.416	4.944	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)S/C1=N/c1ccc(F)cc1	ZINC000409231359	195507005	/nfs/dbraw/zinc/50/70/05/195507005.db2.gz	CILBRTXLCDPILV-FYSQBISVSA-N	-1	0	556.353	4.526	40	30		KJEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2[O-])S1	ZINC000409232143	195509143	/nfs/dbraw/zinc/50/91/43/195509143.db2.gz	OFQUHWIHIJNENR-MKMNVTDBSA-N	-1	0	515.716	4.758	40	30		KJEBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000409234392	1066976155	/nfs/dbraw/zinc/97/61/55/1066976155.db2.gz	ZTQZENTYWKDNPP-JFLMPSFJSA-N	-1	0	517.545	4.606	40	30		KJEBRM
CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(N2CCOCC2)cc1	ZINC000409236221	1066975141	/nfs/dbraw/zinc/97/51/41/1066975141.db2.gz	FCSAPLVCWNDXPH-QFQBBHSUSA-N	-1	0	502.596	4.636	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)[O-])cc2Br)S/C1=N/c1ccc(F)cc1	ZINC000409238812	1066983409	/nfs/dbraw/zinc/98/34/09/1066983409.db2.gz	MAPMORULMJQANJ-WZXYTRLISA-N	-1	0	509.353	4.684	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409239266	1066983040	/nfs/dbraw/zinc/98/30/40/1066983040.db2.gz	PBYAGRNQNUYCCH-MJCMWSLQSA-N	-1	0	570.380	4.916	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N/c1ccc(OC)cc1	ZINC000409239316	1066983029	/nfs/dbraw/zinc/98/30/29/1066983029.db2.gz	MQSBLPBGMWBEJC-DAZATKBVSA-N	-1	0	521.389	4.554	40	30		KJEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCC(=O)[O-])c(I)c2)S1	ZINC000409240463	1066982261	/nfs/dbraw/zinc/98/22/61/1066982261.db2.gz	UAMFIXIWEIOIRH-LZYBPNLTSA-N	-1	0	528.755	4.608	40	30		KJEBRM
CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(F)cc1	ZINC000409240761	1066982460	/nfs/dbraw/zinc/98/24/60/1066982460.db2.gz	VGFWMFYRLKDZMM-MDRWVBAWSA-N	-1	0	526.327	4.518	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)[O-])c(OC)c2)S/C1=N/c1ccc(F)cc1	ZINC000409241623	1066981492	/nfs/dbraw/zinc/98/14/92/1066981492.db2.gz	KPWCYAOUEQTEAX-FYSQBISVSA-N	-1	0	509.353	4.684	40	30		KJEBRM
COc1ccc(N=C2S/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)N2Cc2ccco2)cc1	ZINC000409241811	1066981582	/nfs/dbraw/zinc/98/15/82/1066981582.db2.gz	VAYVZIJEXRTHFB-GMPWKEQNSA-N	-1	0	508.552	4.953	40	30		KJEBRM
COc1ccc(N=C2S/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)N2Cc2ccco2)cc1	ZINC000409241814	1066981518	/nfs/dbraw/zinc/98/15/18/1066981518.db2.gz	VAYVZIJEXRTHFB-HEURQZAGSA-N	-1	0	508.552	4.953	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409242381	1066981642	/nfs/dbraw/zinc/98/16/42/1066981642.db2.gz	RNHFSCNOEQMTPS-VTNZUCANSA-N	-1	0	582.416	4.786	40	30		KJEBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O	ZINC000409242577	1066981165	/nfs/dbraw/zinc/98/11/65/1066981165.db2.gz	OUXIDMWMQVXASK-XSFVSMFZSA-N	-1	0	514.607	4.971	40	30		KJEBRM
COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409243056	1066980751	/nfs/dbraw/zinc/98/07/51/1066980751.db2.gz	VADASOOXPUEIMK-REZTVBANSA-N	-1	0	511.781	4.775	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(I)c2)S/C1=N/c1ccc(OC)cc1	ZINC000409245687	1066979510	/nfs/dbraw/zinc/97/95/10/1066979510.db2.gz	XNQFGUVYIDDBBR-FYSQBISVSA-N	-1	0	664.259	4.992	40	30		KJEBRM
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409245859	1066340538	/nfs/dbraw/zinc/34/05/38/1066340538.db2.gz	ZYNDRSAZODRWPZ-PCLIKHOPSA-N	-1	0	585.613	4.631	40	30		KJEBRM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)cc1	ZINC000409246872	1066340976	/nfs/dbraw/zinc/34/09/76/1066340976.db2.gz	KKHSHXICYJBDJM-SSGMKTMXSA-N	-1	0	516.623	4.502	40	30		KJEBRM
COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409248798	1066986260	/nfs/dbraw/zinc/98/62/60/1066986260.db2.gz	QUWCEWLYEGWYTE-LZYBPNLTSA-N	-1	0	511.781	4.775	40	30		KJEBRM
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2[O-])S/C1=N/c1ccc(OC)cc1	ZINC000409249068	1066341170	/nfs/dbraw/zinc/34/11/70/1066341170.db2.gz	JHAZXEICELAFOU-IQLOBFSESA-N	-1	0	525.324	4.538	40	30		KJEBRM
CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409252949	1066343193	/nfs/dbraw/zinc/34/31/93/1066343193.db2.gz	YGZMPZXQXXDTBO-VFOYPBJLSA-N	-1	0	535.416	4.944	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1cccc(C(=O)[O-])c1	ZINC000409273935	1067012961	/nfs/dbraw/zinc/01/29/61/1067012961.db2.gz	AJLNNTZRPPSHKD-UHFFFAOYSA-N	-1	0	536.382	4.889	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)[O-]	ZINC000409274214	1066348695	/nfs/dbraw/zinc/34/86/95/1066348695.db2.gz	CAPLGSYCIDRXTJ-GFCCVEGCSA-N	-1	0	537.208	4.779	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409274216	1067012679	/nfs/dbraw/zinc/01/26/79/1067012679.db2.gz	CAPLGSYCIDRXTJ-LBPRGKRZSA-N	-1	0	537.208	4.779	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000409274375	1067012654	/nfs/dbraw/zinc/01/26/54/1067012654.db2.gz	CSNATCJQRBODHO-UHFFFAOYSA-N	-1	0	566.408	4.898	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC000409274492	1066348751	/nfs/dbraw/zinc/34/87/51/1066348751.db2.gz	DPOHOXYPLXPRNS-GFCCVEGCSA-N	-1	0	614.234	4.630	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC000409274493	1066349006	/nfs/dbraw/zinc/34/90/06/1066349006.db2.gz	DPOHOXYPLXPRNS-LBPRGKRZSA-N	-1	0	614.234	4.630	40	30		KJEBRM
COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(=O)[O-]	ZINC000409275338	1066349049	/nfs/dbraw/zinc/34/90/49/1066349049.db2.gz	IMIFLFPXYUGGDY-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000409275390	1067011158	/nfs/dbraw/zinc/01/11/58/1067011158.db2.gz	JBEYGKYLCDTYRN-UHFFFAOYSA-N	-1	0	536.382	4.889	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(Br)c1	ZINC000409276158	1067010591	/nfs/dbraw/zinc/01/05/91/1067010591.db2.gz	OHPPDNIKBWAZPY-UHFFFAOYSA-N	-1	0	537.208	4.565	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1	ZINC000409276390	1067014914	/nfs/dbraw/zinc/01/49/14/1067014914.db2.gz	QMCYRDPWZCIEMT-UHFFFAOYSA-N	-1	0	552.381	4.644	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409276481	1067014858	/nfs/dbraw/zinc/01/48/58/1067014858.db2.gz	RTCWHLXTVFDCLA-INIZCTEOSA-N	-1	0	572.530	4.859	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409276482	1067014900	/nfs/dbraw/zinc/01/49/00/1067014900.db2.gz	RTCWHLXTVFDCLA-MRXNPFEDSA-N	-1	0	572.530	4.859	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCC(=O)[O-]	ZINC000409276612	1067014644	/nfs/dbraw/zinc/01/46/44/1067014644.db2.gz	UBXPPWZXVRNLCW-UHFFFAOYSA-N	-1	0	514.376	4.561	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409276765	1067014692	/nfs/dbraw/zinc/01/46/92/1067014692.db2.gz	WCGWDOKGJFCDHM-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409276972	1067014560	/nfs/dbraw/zinc/01/45/60/1067014560.db2.gz	AEEGSFGLVMXDQY-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1	ZINC000409277129	1067014298	/nfs/dbraw/zinc/01/42/98/1067014298.db2.gz	ZMUCSGIQXNWOCO-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409277225	1067013941	/nfs/dbraw/zinc/01/39/41/1067013941.db2.gz	BDSBEXWRBCAWGW-SECBINFHSA-N	-1	0	573.625	4.626	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409277228	1067013995	/nfs/dbraw/zinc/01/39/95/1067013995.db2.gz	BDSBEXWRBCAWGW-VIFPVBQESA-N	-1	0	573.625	4.626	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)[O-]	ZINC000409277368	1066346572	/nfs/dbraw/zinc/34/65/72/1066346572.db2.gz	ACTLNDTVOUYKKW-UHFFFAOYSA-N	-1	0	581.261	4.963	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409277518	1067023077	/nfs/dbraw/zinc/02/30/77/1067023077.db2.gz	CCSXLLPDLSZXBE-AWEZNQCLSA-N	-1	0	556.453	4.733	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C(=O)[O-])c1	ZINC000409277547	1067023148	/nfs/dbraw/zinc/02/31/48/1067023148.db2.gz	BASLOEBIBQNIMY-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409277623	1067023056	/nfs/dbraw/zinc/02/30/56/1067023056.db2.gz	CCSXLLPDLSZXBE-CQSZACIVSA-N	-1	0	556.453	4.733	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409277626	1067023311	/nfs/dbraw/zinc/02/33/11/1067023311.db2.gz	BKUMURYZKIJTRG-JTQLQIEISA-N	-1	0	602.077	4.981	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409277627	1067023121	/nfs/dbraw/zinc/02/31/21/1067023121.db2.gz	BKUMURYZKIJTRG-SNVBAGLBSA-N	-1	0	602.077	4.981	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409277767	1067022745	/nfs/dbraw/zinc/02/27/45/1067022745.db2.gz	BZRDCUFUFXFMLL-UHFFFAOYSA-N	-1	0	536.382	4.889	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)[O-])cc21	ZINC000409278070	1067022649	/nfs/dbraw/zinc/02/26/49/1067022649.db2.gz	CRELPMYHXNPULB-UHFFFAOYSA-N	-1	0	548.895	4.726	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409278224	1067022251	/nfs/dbraw/zinc/02/22/51/1067022251.db2.gz	DYMZBMTYMRPDND-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCC(=O)[O-]	ZINC000409278283	1067022385	/nfs/dbraw/zinc/02/23/85/1067022385.db2.gz	CKXLWVLXFGHMJP-UHFFFAOYSA-N	-1	0	573.625	4.628	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000409278513	1067022318	/nfs/dbraw/zinc/02/23/18/1067022318.db2.gz	DKIBQLMKAOZKRY-UHFFFAOYSA-N	-1	0	581.379	4.798	40	30		KJEBRM
O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000409278566	1067022410	/nfs/dbraw/zinc/02/24/10/1067022410.db2.gz	GCDYUVCGQFKYAJ-UHFFFAOYSA-N	-1	0	546.845	4.990	40	30		KJEBRM
C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409278569	1066350181	/nfs/dbraw/zinc/35/01/81/1066350181.db2.gz	DRVTZXGRNZREBC-AWEZNQCLSA-N	-1	0	543.374	4.849	40	30		KJEBRM
C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409278571	1067022507	/nfs/dbraw/zinc/02/25/07/1067022507.db2.gz	DRVTZXGRNZREBC-CQSZACIVSA-N	-1	0	543.374	4.849	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409278749	1066350014	/nfs/dbraw/zinc/35/00/14/1066350014.db2.gz	DZZKXTCMIMOQLQ-AWEZNQCLSA-N	-1	0	516.392	4.589	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409278752	1067022308	/nfs/dbraw/zinc/02/23/08/1067022308.db2.gz	DZZKXTCMIMOQLQ-CQSZACIVSA-N	-1	0	516.392	4.589	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCC(=O)[O-]	ZINC000409278770	1066350100	/nfs/dbraw/zinc/35/01/00/1066350100.db2.gz	FCTYRIGDGRGICI-UHFFFAOYSA-N	-1	0	528.403	4.951	40	30		KJEBRM
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000409278788	1066350650	/nfs/dbraw/zinc/35/06/50/1066350650.db2.gz	FZWHGSDZKKSNSC-INIZCTEOSA-N	-1	0	523.387	4.609	40	30		KJEBRM
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000409278792	1067021862	/nfs/dbraw/zinc/02/18/62/1067021862.db2.gz	FZWHGSDZKKSNSC-MRXNPFEDSA-N	-1	0	523.387	4.609	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1	ZINC000409279146	1067021922	/nfs/dbraw/zinc/02/19/22/1067021922.db2.gz	HRRLNGAACSFXCD-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c3)cc21	ZINC000409279382	1067021466	/nfs/dbraw/zinc/02/14/66/1067021466.db2.gz	HKVQITUQMHRSHY-UHFFFAOYSA-N	-1	0	548.895	4.726	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)[O-]	ZINC000409279445	1067021563	/nfs/dbraw/zinc/02/15/63/1067021563.db2.gz	HPKUUJXRDSLIIK-UHFFFAOYSA-N	-1	0	536.810	4.854	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@H](C)C(=O)[O-]	ZINC000409279483	1067022010	/nfs/dbraw/zinc/02/20/10/1067022010.db2.gz	HUAOOEXUNLMVBX-GFCCVEGCSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC000409279484	1067021994	/nfs/dbraw/zinc/02/19/94/1067021994.db2.gz	HUAOOEXUNLMVBX-LBPRGKRZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I)C(=O)[O-]	ZINC000409279534	1067021665	/nfs/dbraw/zinc/02/16/65/1067021665.db2.gz	HIJBZABBGRACLK-HNNXBMFYSA-N	-1	0	545.377	4.783	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I)C(=O)[O-]	ZINC000409279536	1067021500	/nfs/dbraw/zinc/02/15/00/1067021500.db2.gz	HIJBZABBGRACLK-OAHLLOKOSA-N	-1	0	545.377	4.783	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409279586	1067021678	/nfs/dbraw/zinc/02/16/78/1067021678.db2.gz	JDWIIRWEYJOIAS-GFCCVEGCSA-N	-1	0	567.234	4.788	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409279590	1067021435	/nfs/dbraw/zinc/02/14/35/1067021435.db2.gz	JDWIIRWEYJOIAS-LBPRGKRZSA-N	-1	0	567.234	4.788	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000409279789	1067021546	/nfs/dbraw/zinc/02/15/46/1067021546.db2.gz	JUIVBIALMDISBR-UHFFFAOYSA-N	-1	0	549.425	4.947	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)cc(OC)c3OCC(=O)[O-])cc21	ZINC000409280112	1067021199	/nfs/dbraw/zinc/02/11/99/1067021199.db2.gz	JKINWOLMGOZNJV-UHFFFAOYSA-N	-1	0	533.924	4.826	40	30		KJEBRM
O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-]	ZINC000409280149	1067021161	/nfs/dbraw/zinc/02/11/61/1067021161.db2.gz	KJSPEQQQPZGSIK-UHFFFAOYSA-N	-1	0	518.869	4.717	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCC(=O)[O-]	ZINC000409280233	1067021296	/nfs/dbraw/zinc/02/12/96/1067021296.db2.gz	AXQAIWSBYVOJLR-UHFFFAOYSA-N	-1	0	614.234	4.631	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(I)c1	ZINC000409280475	1066350606	/nfs/dbraw/zinc/35/06/06/1066350606.db2.gz	JIDPUGAHSWSOFZ-GFCCVEGCSA-N	-1	0	584.208	4.621	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(I)c1	ZINC000409280482	1067020829	/nfs/dbraw/zinc/02/08/29/1067020829.db2.gz	JIDPUGAHSWSOFZ-LBPRGKRZSA-N	-1	0	584.208	4.621	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409280652	1067020747	/nfs/dbraw/zinc/02/07/47/1067020747.db2.gz	LTCWMBXNIDUAAG-KRWDZBQOSA-N	-1	0	527.533	4.951	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409280655	1067020724	/nfs/dbraw/zinc/02/07/24/1067020724.db2.gz	LTCWMBXNIDUAAG-QGZVFWFLSA-N	-1	0	527.533	4.951	40	30		KJEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Br	ZINC000409280855	1067020388	/nfs/dbraw/zinc/02/03/88/1067020388.db2.gz	MHWCZXYWCRYGJC-UHFFFAOYSA-N	-1	0	518.323	4.918	40	30		KJEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3cc4ccccc4o3)o2)cc1	ZINC000409280943	1067020430	/nfs/dbraw/zinc/02/04/30/1067020430.db2.gz	LBQACXBBESFDOK-UHFFFAOYSA-N	-1	0	552.568	4.777	40	30		KJEBRM
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC(=O)[O-]	ZINC000409281136	1066350532	/nfs/dbraw/zinc/35/05/32/1066350532.db2.gz	LWGDKJOQEVOQJZ-UHFFFAOYSA-N	-1	0	618.076	4.737	40	30		KJEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-]	ZINC000409281141	1067020281	/nfs/dbraw/zinc/02/02/81/1067020281.db2.gz	NAVBYXDDFIJICO-UHFFFAOYSA-N	-1	0	563.320	4.826	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OCC(=O)[O-]	ZINC000409281155	1067020309	/nfs/dbraw/zinc/02/03/09/1067020309.db2.gz	LPKIMHRYIJFGQW-UHFFFAOYSA-N	-1	0	513.506	4.563	40	30		KJEBRM
O=C([O-])COc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1	ZINC000409281431	1067019990	/nfs/dbraw/zinc/01/99/90/1067019990.db2.gz	MJDSRQZPJUSCFJ-UHFFFAOYSA-N	-1	0	518.323	4.918	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000409281896	1067019698	/nfs/dbraw/zinc/01/96/98/1067019698.db2.gz	NJBQHQMHZPPFTK-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)[O-])c(Br)c3)cc21	ZINC000409282184	1067019519	/nfs/dbraw/zinc/01/95/19/1067019519.db2.gz	OGGJSNHFUWEUHX-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409282188	1067019662	/nfs/dbraw/zinc/01/96/62/1067019662.db2.gz	GIJQSIDSJKKPKW-UHFFFAOYSA-N	-1	0	522.355	4.635	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-]	ZINC000409282204	1067019593	/nfs/dbraw/zinc/01/95/93/1067019593.db2.gz	OBTLDQLWOMSSLH-GFCCVEGCSA-N	-1	0	551.235	4.953	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-]	ZINC000409282207	1067019549	/nfs/dbraw/zinc/01/95/49/1067019549.db2.gz	OBTLDQLWOMSSLH-LBPRGKRZSA-N	-1	0	551.235	4.953	40	30		KJEBRM
O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1I	ZINC000409282564	1067019319	/nfs/dbraw/zinc/01/93/19/1067019319.db2.gz	HISCAJFSCGQAGU-UHFFFAOYSA-N	-1	0	657.246	4.999	40	30		KJEBRM
O=C([O-])COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1	ZINC000409282671	1067019110	/nfs/dbraw/zinc/01/91/10/1067019110.db2.gz	PIAUYNZZUYEKGI-UHFFFAOYSA-N	-1	0	518.323	4.918	40	30		KJEBRM
C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409282932	1066351090	/nfs/dbraw/zinc/35/10/90/1066351090.db2.gz	HXAVNIBSPPWHSR-AWEZNQCLSA-N	-1	0	526.427	4.725	40	30		KJEBRM
C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409282934	1067019290	/nfs/dbraw/zinc/01/92/90/1067019290.db2.gz	HXAVNIBSPPWHSR-CQSZACIVSA-N	-1	0	526.427	4.725	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c(OC)c2)cc1C(C)C	ZINC000409283255	1067018810	/nfs/dbraw/zinc/01/88/10/1067018810.db2.gz	RTIGBPKMRJMALR-UHFFFAOYSA-N	-1	0	545.592	4.867	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409283330	1067018930	/nfs/dbraw/zinc/01/89/30/1067018930.db2.gz	PHIZQJHQQBCSHA-SECBINFHSA-N	-1	0	588.050	4.727	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409283332	1067018687	/nfs/dbraw/zinc/01/86/87/1067018687.db2.gz	PHIZQJHQQBCSHA-VIFPVBQESA-N	-1	0	588.050	4.727	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc([N+](=O)[O-])c3OCC(=O)[O-])cc21	ZINC000409283616	1067018677	/nfs/dbraw/zinc/01/86/77/1067018677.db2.gz	JRGPFQHJEDBIAW-UHFFFAOYSA-N	-1	0	593.346	4.835	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409283687	1066351225	/nfs/dbraw/zinc/35/12/25/1066351225.db2.gz	SJNCUICXFNJHQP-UHFFFAOYSA-N	-1	0	524.169	4.715	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1[O-]	ZINC000409283842	1067018427	/nfs/dbraw/zinc/01/84/27/1067018427.db2.gz	QJWUGHHBSYEITJ-UHFFFAOYSA-N	-1	0	500.467	4.713	40	30		KJEBRM
CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c(OCC(=O)[O-])c1	ZINC000409283878	1067018407	/nfs/dbraw/zinc/01/84/07/1067018407.db2.gz	SICIUDXAXWJRES-UHFFFAOYSA-N	-1	0	516.941	4.875	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000409284361	1067018266	/nfs/dbraw/zinc/01/82/66/1067018266.db2.gz	UHFKTYVSLWJFQN-UHFFFAOYSA-N	-1	0	524.169	4.715	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409284418	1067018511	/nfs/dbraw/zinc/01/85/11/1067018511.db2.gz	LHPYGQCHSPVIHL-UHFFFAOYSA-N	-1	0	522.355	4.635	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCC(=O)[O-])c(OC)c3)cc21	ZINC000409284466	1067018466	/nfs/dbraw/zinc/01/84/66/1067018466.db2.gz	ULKPQWBLCYSXJP-UHFFFAOYSA-N	-1	0	578.375	4.935	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)[O-])ccc2ccccc21	ZINC000409284846	1066351013	/nfs/dbraw/zinc/35/10/13/1066351013.db2.gz	VKYIUPDHOKHUCQ-UHFFFAOYSA-N	-1	0	508.372	4.955	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409284916	1067017496	/nfs/dbraw/zinc/01/74/96/1067017496.db2.gz	UUSNFFLHYRAVBF-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OCC)c1OCC(=O)[O-]	ZINC000409285258	1066351498	/nfs/dbraw/zinc/35/14/98/1066351498.db2.gz	XBHRNOYCQWONHX-UHFFFAOYSA-N	-1	0	528.403	4.755	40	30		KJEBRM
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409285263	1067017620	/nfs/dbraw/zinc/01/76/20/1067017620.db2.gz	WBIUGKDLYKSQKN-UHFFFAOYSA-N	-1	0	581.379	4.934	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409285611	1067017294	/nfs/dbraw/zinc/01/72/94/1067017294.db2.gz	UKTGSWCYXCWKMP-UHFFFAOYSA-N	-1	0	522.355	4.635	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCC(=O)[O-]	ZINC000409285680	1067017069	/nfs/dbraw/zinc/01/70/69/1067017069.db2.gz	URAXMXYECPSNSE-UHFFFAOYSA-N	-1	0	528.403	4.951	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409285772	1067017281	/nfs/dbraw/zinc/01/72/81/1067017281.db2.gz	XIQVHPYLYLYABB-GFCCVEGCSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409285774	1067017183	/nfs/dbraw/zinc/01/71/83/1067017183.db2.gz	XIQVHPYLYLYABB-LBPRGKRZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000409285976	1066350006	/nfs/dbraw/zinc/35/00/06/1066350006.db2.gz	XICBTYZUVUJPCM-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)cc(OC)c3OCC(=O)[O-])cc21	ZINC000409285989	1067016820	/nfs/dbraw/zinc/01/68/20/1067016820.db2.gz	PIAQKTFMAPAROF-UHFFFAOYSA-N	-1	0	578.375	4.935	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)[O-])cc3Br)cc21	ZINC000409285995	1067016779	/nfs/dbraw/zinc/01/67/79/1067016779.db2.gz	PIDRWXNIORNNDR-UHFFFAOYSA-N	-1	0	578.375	4.935	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409286006	1066350087	/nfs/dbraw/zinc/35/00/87/1066350087.db2.gz	YFEYXTRECCLBCE-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)[O-]	ZINC000409286100	1067016834	/nfs/dbraw/zinc/01/68/34/1067016834.db2.gz	YPDBPVVUUVNBEO-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCC(=O)[O-]	ZINC000409286190	1066350109	/nfs/dbraw/zinc/35/01/09/1066350109.db2.gz	VYQPKMWPULCUOY-UHFFFAOYSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)[O-]	ZINC000409286514	1067016111	/nfs/dbraw/zinc/01/61/11/1067016111.db2.gz	YUDSVSYXPBXTNS-UHFFFAOYSA-N	-1	0	581.261	4.963	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-]	ZINC000409286946	1067015893	/nfs/dbraw/zinc/01/58/93/1067015893.db2.gz	RMKFIWULEIBFNW-GFCCVEGCSA-N	-1	0	598.235	4.795	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-]	ZINC000409286948	1067015954	/nfs/dbraw/zinc/01/59/54/1067015954.db2.gz	RMKFIWULEIBFNW-LBPRGKRZSA-N	-1	0	598.235	4.795	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)c(OCC(=O)[O-])c(OC)c3)cc21	ZINC000409286960	1067015637	/nfs/dbraw/zinc/01/56/37/1067015637.db2.gz	RPUHPDRETWEFQV-UHFFFAOYSA-N	-1	0	533.924	4.826	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1O[C@H](C)C(=O)[O-]	ZINC000409287000	1067015900	/nfs/dbraw/zinc/01/59/00/1067015900.db2.gz	XTVDGBZFXWJOAY-GFCCVEGCSA-N	-1	0	567.234	4.788	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC000409287001	1067016048	/nfs/dbraw/zinc/01/60/48/1067016048.db2.gz	XTVDGBZFXWJOAY-LBPRGKRZSA-N	-1	0	567.234	4.788	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409287027	1067015964	/nfs/dbraw/zinc/01/59/64/1067015964.db2.gz	XYEVNIXEVGTTDA-AWEZNQCLSA-N	-1	0	526.427	4.725	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409287029	1067016129	/nfs/dbraw/zinc/01/61/29/1067016129.db2.gz	XYEVNIXEVGTTDA-CQSZACIVSA-N	-1	0	526.427	4.725	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(OC)c(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C	ZINC000409287125	1067015725	/nfs/dbraw/zinc/01/57/25/1067015725.db2.gz	YQQAQNBXQLRZBC-UHFFFAOYSA-N	-1	0	560.563	4.766	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)[O-]	ZINC000409287176	1067015482	/nfs/dbraw/zinc/01/54/82/1067015482.db2.gz	ZAFQPWMAFAQTCI-UHFFFAOYSA-N	-1	0	567.234	4.573	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2OCC(=O)[O-])cc1C(C)C	ZINC000409287365	1067028837	/nfs/dbraw/zinc/02/88/37/1067028837.db2.gz	ULVKWMUZXPCFNT-UHFFFAOYSA-N	-1	0	530.537	4.758	40	30		KJEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1I	ZINC000409287369	1067028703	/nfs/dbraw/zinc/02/87/03/1067028703.db2.gz	UMQNHXYNRHNRMW-UHFFFAOYSA-N	-1	0	565.323	4.760	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCC(=O)[O-]	ZINC000409287451	1067028335	/nfs/dbraw/zinc/02/83/35/1067028335.db2.gz	VLEPXEAKBZQERX-UHFFFAOYSA-N	-1	0	542.430	4.929	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(Br)c1	ZINC000409287584	1067028457	/nfs/dbraw/zinc/02/84/57/1067028457.db2.gz	WXDRBZORHIWLON-UHFFFAOYSA-N	-1	0	588.050	4.592	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCC(=O)[O-]	ZINC000409287738	1067028444	/nfs/dbraw/zinc/02/84/44/1067028444.db2.gz	YRESYXXMIPLUMU-UHFFFAOYSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(OCC(=O)[O-])c1	ZINC000409287830	1067028469	/nfs/dbraw/zinc/02/84/69/1067028469.db2.gz	ZTBJQGTZEAIPKA-UHFFFAOYSA-N	-1	0	561.392	4.984	40	30		KJEBRM
O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)cc1[N+](=O)[O-]	ZINC000409287851	1067028529	/nfs/dbraw/zinc/02/85/29/1067028529.db2.gz	ZZFUZAIXNIXVAT-UHFFFAOYSA-N	-1	0	563.320	4.826	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(I)c1OCC(=O)[O-]	ZINC000409288292	1067027405	/nfs/dbraw/zinc/02/74/05/1067027405.db2.gz	FUOCJFCJJSCIOZ-UHFFFAOYSA-N	-1	0	595.349	4.769	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1OCC(=O)[O-]	ZINC000409288300	1067027998	/nfs/dbraw/zinc/02/79/98/1067027998.db2.gz	FVZVCWKYTCJNQR-UHFFFAOYSA-N	-1	0	533.924	4.826	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(I)c1	ZINC000409288319	1066352394	/nfs/dbraw/zinc/35/23/94/1066352394.db2.gz	GBTBTZAAYCFQBS-UHFFFAOYSA-N	-1	0	696.077	4.837	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409288362	1067027857	/nfs/dbraw/zinc/02/78/57/1067027857.db2.gz	GNZAIUPSODUXKV-UHFFFAOYSA-N	-1	0	567.352	4.544	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(I)c(OCC(=O)[O-])c(OC)c3)cc21	ZINC000409288396	1067027953	/nfs/dbraw/zinc/02/79/53/1067027953.db2.gz	GYAHIWXUSMTGPU-UHFFFAOYSA-N	-1	0	625.375	4.777	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000409288457	1066352377	/nfs/dbraw/zinc/35/23/77/1066352377.db2.gz	ACMBIBJIDUUAQS-UHFFFAOYSA-N	-1	0	510.142	4.541	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCC(=O)[O-]	ZINC000409288482	1066352457	/nfs/dbraw/zinc/35/24/57/1066352457.db2.gz	AJJMPXOGXVWVLP-UHFFFAOYSA-N	-1	0	509.518	4.892	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCC(=O)[O-]	ZINC000409288579	1066352629	/nfs/dbraw/zinc/35/26/29/1066352629.db2.gz	BBGJVQDBFWPLQX-UHFFFAOYSA-N	-1	0	514.376	4.561	40	30		KJEBRM
C[C@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000409288675	1067027617	/nfs/dbraw/zinc/02/76/17/1067027617.db2.gz	BJCJMPZOXYYMBN-INIZCTEOSA-N	-1	0	524.499	4.882	40	30		KJEBRM
C[C@@H](Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000409288676	1067027670	/nfs/dbraw/zinc/02/76/70/1067027670.db2.gz	BJCJMPZOXYYMBN-MRXNPFEDSA-N	-1	0	524.499	4.882	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409289196	1067027049	/nfs/dbraw/zinc/02/70/49/1067027049.db2.gz	FGSPAJYFULWOFJ-HNNXBMFYSA-N	-1	0	542.430	4.928	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409289197	1067027237	/nfs/dbraw/zinc/02/72/37/1067027237.db2.gz	FGSPAJYFULWOFJ-OAHLLOKOSA-N	-1	0	542.430	4.928	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1	ZINC000409289503	1067026711	/nfs/dbraw/zinc/02/67/11/1067026711.db2.gz	NEAMGUMBKIVKDQ-UHFFFAOYSA-N	-1	0	535.398	4.693	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)[O-])c(Cl)c3)cc21	ZINC000409289519	1067026613	/nfs/dbraw/zinc/02/66/13/1067026613.db2.gz	GWJFWUVTISGHIK-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409289588	1067026893	/nfs/dbraw/zinc/02/68/93/1067026893.db2.gz	NTICYXHVDSALAO-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1	ZINC000409289637	1066353018	/nfs/dbraw/zinc/35/30/18/1066353018.db2.gz	OBWMBSXTDFODHQ-UHFFFAOYSA-N	-1	0	624.014	4.518	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409289685	1067026744	/nfs/dbraw/zinc/02/67/44/1067026744.db2.gz	HPXPYHBDHZZORT-LLVKDONJSA-N	-1	0	537.754	4.578	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409289686	1067026805	/nfs/dbraw/zinc/02/68/05/1067026805.db2.gz	HPXPYHBDHZZORT-NSHDSACASA-N	-1	0	537.754	4.578	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409289700	1067026727	/nfs/dbraw/zinc/02/67/27/1067026727.db2.gz	OKUJBDUZXYMPBD-SECBINFHSA-N	-1	0	543.599	4.617	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409289701	1067026844	/nfs/dbraw/zinc/02/68/44/1067026844.db2.gz	OKUJBDUZXYMPBD-VIFPVBQESA-N	-1	0	543.599	4.617	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1	ZINC000409289837	1066207426	/nfs/dbraw/zinc/20/74/26/1066207426.db2.gz	PHAMXHHECVHQSU-UHFFFAOYSA-N	-1	0	513.175	4.935	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Cl)c1	ZINC000409289896	1066352779	/nfs/dbraw/zinc/35/27/79/1066352779.db2.gz	PPVNHEHKXIHORS-JTQLQIEISA-N	-1	0	513.175	4.762	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Cl)c1	ZINC000409289898	1067026492	/nfs/dbraw/zinc/02/64/92/1067026492.db2.gz	PPVNHEHKXIHORS-SNVBAGLBSA-N	-1	0	513.175	4.762	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)ccc3OCC(=O)[O-])cc21	ZINC000409289905	1067026418	/nfs/dbraw/zinc/02/64/18/1067026418.db2.gz	PRJRWIJXFMVBQX-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409290062	1066352925	/nfs/dbraw/zinc/35/29/25/1066352925.db2.gz	JQJRNLVGRILLRQ-SECBINFHSA-N	-1	0	543.599	4.617	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409290063	1067026433	/nfs/dbraw/zinc/02/64/33/1067026433.db2.gz	JQJRNLVGRILLRQ-VIFPVBQESA-N	-1	0	543.599	4.617	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-]	ZINC000409290150	1067026282	/nfs/dbraw/zinc/02/62/82/1067026282.db2.gz	KGTUBAOHDXQWSQ-GFCCVEGCSA-N	-1	0	506.784	4.844	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-]	ZINC000409290152	1067026448	/nfs/dbraw/zinc/02/64/48/1067026448.db2.gz	KGTUBAOHDXQWSQ-LBPRGKRZSA-N	-1	0	506.784	4.844	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1	ZINC000409290255	1067025859	/nfs/dbraw/zinc/02/58/59/1067025859.db2.gz	KOZZICVIRMMAIC-UHFFFAOYSA-N	-1	0	515.987	4.580	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C(C)C	ZINC000409290513	1067026095	/nfs/dbraw/zinc/02/60/95/1067026095.db2.gz	UDRKSXQGYNUSGN-UHFFFAOYSA-N	-1	0	530.537	4.758	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409290582	1067025904	/nfs/dbraw/zinc/02/59/04/1067025904.db2.gz	MJWAFXKTVYZNJL-UHFFFAOYSA-N	-1	0	593.346	4.835	40	30		KJEBRM
C[C@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409290785	1067025563	/nfs/dbraw/zinc/02/55/63/1067025563.db2.gz	NEFZKRPFDFPNRD-AWEZNQCLSA-N	-1	0	543.374	4.849	40	30		KJEBRM
C[C@@H](Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409290788	1067025499	/nfs/dbraw/zinc/02/54/99/1067025499.db2.gz	NEFZKRPFDFPNRD-CQSZACIVSA-N	-1	0	543.374	4.849	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(-c4ccc(S(=O)(=O)[N-]C(C)=O)cc4)o3)cc21	ZINC000409291042	1067025463	/nfs/dbraw/zinc/02/54/63/1067025463.db2.gz	BPLJCTSUKPPIJM-UHFFFAOYSA-N	-1	0	582.594	4.785	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000409291095	1067025595	/nfs/dbraw/zinc/02/55/95/1067025595.db2.gz	BWJDGOWGPVBJOU-UHFFFAOYSA-N	-1	0	536.382	4.889	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000409291203	1067025481	/nfs/dbraw/zinc/02/54/81/1067025481.db2.gz	PELOTWASQVLYMA-GFCCVEGCSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000409291205	1067025642	/nfs/dbraw/zinc/02/56/42/1067025642.db2.gz	PELOTWASQVLYMA-LBPRGKRZSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000409291295	1066351656	/nfs/dbraw/zinc/35/16/56/1066351656.db2.gz	AOTGEIYZQWJQRZ-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000409291306	1067025679	/nfs/dbraw/zinc/02/56/79/1067025679.db2.gz	ASNFQLGDCBOQPJ-GFCCVEGCSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000409291307	1067025579	/nfs/dbraw/zinc/02/55/79/1067025579.db2.gz	ASNFQLGDCBOQPJ-LBPRGKRZSA-N	-1	0	567.234	4.617	40	30		KJEBRM
O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000409291432	1067025723	/nfs/dbraw/zinc/02/57/23/1067025723.db2.gz	CLVWXTCIVBTHCE-UHFFFAOYSA-N	-1	0	518.869	4.717	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)cc2OCC(=O)[O-])cc1C(C)C	ZINC000409291511	1067025285	/nfs/dbraw/zinc/02/52/85/1067025285.db2.gz	CWJNIZOOWIMJMG-UHFFFAOYSA-N	-1	0	528.609	4.916	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409291611	1067025183	/nfs/dbraw/zinc/02/51/83/1067025183.db2.gz	YBGVLUNLGDKPDD-INIZCTEOSA-N	-1	0	513.506	4.561	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409291613	1067025125	/nfs/dbraw/zinc/02/51/25/1067025125.db2.gz	YBGVLUNLGDKPDD-MRXNPFEDSA-N	-1	0	513.506	4.561	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(I)c1	ZINC000409292308	1067024758	/nfs/dbraw/zinc/02/47/58/1067024758.db2.gz	GDKYXUHSXNEVGX-JTQLQIEISA-N	-1	0	696.077	4.665	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(I)c1	ZINC000409292311	1066351597	/nfs/dbraw/zinc/35/15/97/1066351597.db2.gz	GDKYXUHSXNEVGX-SNVBAGLBSA-N	-1	0	696.077	4.665	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409292361	1067024729	/nfs/dbraw/zinc/02/47/29/1067024729.db2.gz	DTFISSUCAITROU-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)ccc1OCC(=O)[O-]	ZINC000409292955	1067024235	/nfs/dbraw/zinc/02/42/35/1067024235.db2.gz	WAEGMWLXYRCGQJ-UHFFFAOYSA-N	-1	0	515.566	4.858	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1OCC(=O)[O-]	ZINC000409293402	1066352026	/nfs/dbraw/zinc/35/20/26/1066352026.db2.gz	IAWVAAAMCQDPOQ-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)cc21	ZINC000409293427	1067024074	/nfs/dbraw/zinc/02/40/74/1067024074.db2.gz	YISXYJGSJKDKHQ-INIZCTEOSA-N	-1	0	513.506	4.561	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)cc21	ZINC000409293428	1067023864	/nfs/dbraw/zinc/02/38/64/1067023864.db2.gz	YISXYJGSJKDKHQ-MRXNPFEDSA-N	-1	0	513.506	4.561	40	30		KJEBRM
O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1[N+](=O)[O-]	ZINC000409293463	1067023963	/nfs/dbraw/zinc/02/39/63/1067023963.db2.gz	KHUYSHDISIBVGN-UHFFFAOYSA-N	-1	0	518.869	4.717	40	30		KJEBRM
COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2OCC(=O)[O-])cc1C(C)C	ZINC000409293539	1067023527	/nfs/dbraw/zinc/02/35/27/1067023527.db2.gz	KQOFDFFUUFEIFR-UHFFFAOYSA-N	-1	0	530.537	4.758	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)[O-]	ZINC000409293555	1066351956	/nfs/dbraw/zinc/35/19/56/1066351956.db2.gz	YXEHZCNZIRVNCZ-UHFFFAOYSA-N	-1	0	528.403	4.539	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409294069	1067023513	/nfs/dbraw/zinc/02/35/13/1067023513.db2.gz	KYEHFJFDWPIKFB-GFCCVEGCSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409294071	1066351978	/nfs/dbraw/zinc/35/19/78/1066351978.db2.gz	KYEHFJFDWPIKFB-LBPRGKRZSA-N	-1	0	567.234	4.617	40	30		KJEBRM
O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(Cl)cc1[N+](=O)[O-]	ZINC000409294093	1067023440	/nfs/dbraw/zinc/02/34/40/1067023440.db2.gz	LBQWGVKHGCRQFL-UHFFFAOYSA-N	-1	0	546.845	4.990	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409294175	1067030795	/nfs/dbraw/zinc/03/07/95/1067030795.db2.gz	AAYOOCJSHPFRQX-UHFFFAOYSA-N	-1	0	556.453	4.735	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409294681	1067030734	/nfs/dbraw/zinc/03/07/34/1067030734.db2.gz	CEKNVLFGZGXHQR-UHFFFAOYSA-N	-1	0	510.142	4.541	40	30		KJEBRM
C[C@@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409294721	1067030372	/nfs/dbraw/zinc/03/03/72/1067030372.db2.gz	BOJPCOQYHYZNCP-LLVKDONJSA-N	-1	0	596.232	4.861	40	30		KJEBRM
C[C@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409294722	1067030328	/nfs/dbraw/zinc/03/03/28/1067030328.db2.gz	BOJPCOQYHYZNCP-NSHDSACASA-N	-1	0	596.232	4.861	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])cc21	ZINC000409294756	1067030387	/nfs/dbraw/zinc/03/03/87/1067030387.db2.gz	BSOBHBCDJYEGDE-INIZCTEOSA-N	-1	0	513.506	4.561	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])cc21	ZINC000409294758	1067030237	/nfs/dbraw/zinc/03/02/37/1067030237.db2.gz	BSOBHBCDJYEGDE-MRXNPFEDSA-N	-1	0	513.506	4.561	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c1OCC(=O)[O-]	ZINC000409294821	1067030443	/nfs/dbraw/zinc/03/04/43/1067030443.db2.gz	CAYYAMRYHBYUJH-UHFFFAOYSA-N	-1	0	515.566	4.858	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c3)cc21	ZINC000409295025	1067030021	/nfs/dbraw/zinc/03/00/21/1067030021.db2.gz	NMEWOGCQUBOLAQ-UHFFFAOYSA-N	-1	0	593.346	4.835	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409295193	1067029921	/nfs/dbraw/zinc/02/99/21/1067029921.db2.gz	QDKGUKJTTQIEPX-GFCCVEGCSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409295194	1067029947	/nfs/dbraw/zinc/02/99/47/1067029947.db2.gz	QDKGUKJTTQIEPX-LBPRGKRZSA-N	-1	0	567.234	4.617	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409295265	1067029875	/nfs/dbraw/zinc/02/98/75/1067029875.db2.gz	QJHNPVKGNQDLLH-HNNXBMFYSA-N	-1	0	541.482	4.834	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409295269	1067030092	/nfs/dbraw/zinc/03/00/92/1067030092.db2.gz	QJHNPVKGNQDLLH-OAHLLOKOSA-N	-1	0	541.482	4.834	40	30		KJEBRM
C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC000409295304	1067029934	/nfs/dbraw/zinc/02/99/34/1067029934.db2.gz	OAQBJVHMIDNILF-GFCCVEGCSA-N	-1	0	551.235	4.953	40	30		KJEBRM
C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC000409295307	1067030063	/nfs/dbraw/zinc/03/00/63/1067030063.db2.gz	OAQBJVHMIDNILF-LBPRGKRZSA-N	-1	0	551.235	4.953	40	30		KJEBRM
C[C@@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409295535	1067029860	/nfs/dbraw/zinc/02/98/60/1067029860.db2.gz	DWBZRTPGFMPKMR-LLVKDONJSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@H](Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409295537	1067029961	/nfs/dbraw/zinc/02/99/61/1067029961.db2.gz	DWBZRTPGFMPKMR-NSHDSACASA-N	-1	0	551.781	4.752	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)[O-]	ZINC000409295651	1066352985	/nfs/dbraw/zinc/35/29/85/1066352985.db2.gz	FWKQXPSDRXSVKD-UHFFFAOYSA-N	-1	0	578.375	4.935	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000409295863	1067029458	/nfs/dbraw/zinc/02/94/58/1067029458.db2.gz	PJYADYSMYIGKOY-UHFFFAOYSA-N	-1	0	535.398	4.693	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCC(=O)[O-]	ZINC000409295992	1066353269	/nfs/dbraw/zinc/35/32/69/1066353269.db2.gz	GNLXKBBHLIIOMS-UHFFFAOYSA-N	-1	0	567.234	4.789	40	30		KJEBRM
C[C@@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409296000	1067029516	/nfs/dbraw/zinc/02/95/16/1067029516.db2.gz	GPHMWLHXPDFJEL-LLVKDONJSA-N	-1	0	596.232	4.861	40	30		KJEBRM
C[C@H](Oc1c(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409296001	1067029690	/nfs/dbraw/zinc/02/96/90/1067029690.db2.gz	GPHMWLHXPDFJEL-NSHDSACASA-N	-1	0	596.232	4.861	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409296019	1067029530	/nfs/dbraw/zinc/02/95/30/1067029530.db2.gz	GRBWCFCPRBEPTI-LLVKDONJSA-N	-1	0	537.754	4.578	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409296021	1067029564	/nfs/dbraw/zinc/02/95/64/1067029564.db2.gz	GRBWCFCPRBEPTI-NSHDSACASA-N	-1	0	537.754	4.578	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3O[C@@H](C)C(=O)[O-])cc21	ZINC000409296169	1067029202	/nfs/dbraw/zinc/02/92/02/1067029202.db2.gz	HIWONKJWDCBQDH-KRWDZBQOSA-N	-1	0	526.549	4.618	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3O[C@H](C)C(=O)[O-])cc21	ZINC000409296173	1067029071	/nfs/dbraw/zinc/02/90/71/1067029071.db2.gz	HIWONKJWDCBQDH-QGZVFWFLSA-N	-1	0	526.549	4.618	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000409296326	1067029169	/nfs/dbraw/zinc/02/91/69/1067029169.db2.gz	SYCNUGQZSDSPFV-UHFFFAOYSA-N	-1	0	563.320	4.826	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)[O-])c(I)c3)cc21	ZINC000409296711	1067029023	/nfs/dbraw/zinc/02/90/23/1067029023.db2.gz	IRKYHMOKFUGQMM-UHFFFAOYSA-N	-1	0	595.349	4.769	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409297162	1067028821	/nfs/dbraw/zinc/02/88/21/1067028821.db2.gz	SEXSTBIRVJNBPY-GFCCVEGCSA-N	-1	0	537.208	4.779	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409297164	1067028687	/nfs/dbraw/zinc/02/86/87/1067028687.db2.gz	SEXSTBIRVJNBPY-LBPRGKRZSA-N	-1	0	537.208	4.779	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409297359	1067038391	/nfs/dbraw/zinc/03/83/91/1067038391.db2.gz	WHZXCKBPHSHMRQ-JTQLQIEISA-N	-1	0	557.626	4.871	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409297363	1067038616	/nfs/dbraw/zinc/03/86/16/1067038616.db2.gz	WHZXCKBPHSHMRQ-SNVBAGLBSA-N	-1	0	557.626	4.871	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Br)c1OCC(=O)[O-]	ZINC000409297664	1067038219	/nfs/dbraw/zinc/03/82/19/1067038219.db2.gz	UTJAMXBGVCKNAZ-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409297789	1067038173	/nfs/dbraw/zinc/03/81/73/1067038173.db2.gz	MLEZMYKMEHTLID-UHFFFAOYSA-N	-1	0	567.352	4.544	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc(OC)c1OCC(=O)[O-]	ZINC000409297829	1067038201	/nfs/dbraw/zinc/03/82/01/1067038201.db2.gz	LGNLGAXALPYZLV-UHFFFAOYSA-N	-1	0	539.544	4.901	40	30		KJEBRM
COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@H](C)C(=O)[O-]	ZINC000409298078	1067037603	/nfs/dbraw/zinc/03/76/03/1067037603.db2.gz	VYFAUBFJJMKHIY-GFCCVEGCSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC000409298079	1067037802	/nfs/dbraw/zinc/03/78/02/1067037802.db2.gz	VYFAUBFJJMKHIY-LBPRGKRZSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(=O)[O-]	ZINC000409298281	1067037550	/nfs/dbraw/zinc/03/75/50/1067037550.db2.gz	MNVYHZBMEKPVAO-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409298455	1067037740	/nfs/dbraw/zinc/03/77/40/1067037740.db2.gz	WYFQHHRBPYARPW-UHFFFAOYSA-N	-1	0	548.895	4.726	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409298481	1067037768	/nfs/dbraw/zinc/03/77/68/1067037768.db2.gz	XCQHYUYMFNADEQ-LLVKDONJSA-N	-1	0	582.205	4.687	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409298482	1067037828	/nfs/dbraw/zinc/03/78/28/1067037828.db2.gz	XCQHYUYMFNADEQ-NSHDSACASA-N	-1	0	582.205	4.687	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409298797	1066353536	/nfs/dbraw/zinc/35/35/36/1066353536.db2.gz	PHFYPMOGESSBON-UHFFFAOYSA-N	-1	0	551.353	4.789	40	30		KJEBRM
C[C@@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC000409298817	1067037294	/nfs/dbraw/zinc/03/72/94/1067037294.db2.gz	PKSANRQDQUREIC-GFCCVEGCSA-N	-1	0	506.784	4.844	40	30		KJEBRM
C[C@H](Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC000409298819	1067037230	/nfs/dbraw/zinc/03/72/30/1067037230.db2.gz	PKSANRQDQUREIC-LBPRGKRZSA-N	-1	0	506.784	4.844	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409299031	1067037176	/nfs/dbraw/zinc/03/71/76/1067037176.db2.gz	YHSMBYWSHZWZTG-UHFFFAOYSA-N	-1	0	552.381	4.644	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c(Br)c1	ZINC000409299103	1067037070	/nfs/dbraw/zinc/03/70/70/1067037070.db2.gz	PJGJLNMKDCYIOW-UHFFFAOYSA-N	-1	0	530.014	4.834	40	30		KJEBRM
O=C([O-])COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1	ZINC000409299167	1067037042	/nfs/dbraw/zinc/03/70/42/1067037042.db2.gz	YVUKDIKHSICVBX-UHFFFAOYSA-N	-1	0	563.320	4.826	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000409299209	1067037321	/nfs/dbraw/zinc/03/73/21/1067037321.db2.gz	ZBYLZLKRUTWOIR-UHFFFAOYSA-N	-1	0	566.408	4.898	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409299347	1067036854	/nfs/dbraw/zinc/03/68/54/1067036854.db2.gz	ZKHCBCVSJHORPF-GFCCVEGCSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409299350	1067036904	/nfs/dbraw/zinc/03/69/04/1067036904.db2.gz	ZKHCBCVSJHORPF-LBPRGKRZSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409299463	1066353953	/nfs/dbraw/zinc/35/39/53/1066353953.db2.gz	ZVIPBUKBXIDIHS-HNNXBMFYSA-N	-1	0	528.403	4.949	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409299466	1067036953	/nfs/dbraw/zinc/03/69/53/1067036953.db2.gz	ZVIPBUKBXIDIHS-OAHLLOKOSA-N	-1	0	528.403	4.949	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Br)c1OCC(=O)[O-]	ZINC000409299506	1067037006	/nfs/dbraw/zinc/03/70/06/1067037006.db2.gz	QPYOFHYKTKHNER-UHFFFAOYSA-N	-1	0	632.103	4.991	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC000409299772	1067036581	/nfs/dbraw/zinc/03/65/81/1067036581.db2.gz	VHRVNEQINLEZBS-GFCCVEGCSA-N	-1	0	628.261	4.804	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC000409299774	1067036459	/nfs/dbraw/zinc/03/64/59/1067036459.db2.gz	VHRVNEQINLEZBS-LBPRGKRZSA-N	-1	0	628.261	4.804	40	30		KJEBRM
C[C@@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409299776	1067036659	/nfs/dbraw/zinc/03/66/59/1067036659.db2.gz	VHXMOXLIUSXLID-LLVKDONJSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409299778	1067036594	/nfs/dbraw/zinc/03/65/94/1067036594.db2.gz	VHXMOXLIUSXLID-NSHDSACASA-N	-1	0	551.781	4.752	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409299882	1067036514	/nfs/dbraw/zinc/03/65/14/1067036514.db2.gz	SRVYUZDARSYQEA-INIZCTEOSA-N	-1	0	542.504	4.851	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409299883	1067036672	/nfs/dbraw/zinc/03/66/72/1067036672.db2.gz	SRVYUZDARSYQEA-MRXNPFEDSA-N	-1	0	542.504	4.851	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCC(=O)[O-]	ZINC000409299912	1067036476	/nfs/dbraw/zinc/03/64/76/1067036476.db2.gz	VWGHXTLHHZAUTD-UHFFFAOYSA-N	-1	0	575.403	4.793	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409299997	1067036688	/nfs/dbraw/zinc/03/66/88/1067036688.db2.gz	WOJZRWBZSIKHIH-JTQLQIEISA-N	-1	0	557.626	4.871	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409299999	1067036547	/nfs/dbraw/zinc/03/65/47/1067036547.db2.gz	WOJZRWBZSIKHIH-SNVBAGLBSA-N	-1	0	557.626	4.871	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409300393	1066353927	/nfs/dbraw/zinc/35/39/27/1066353927.db2.gz	WJGDBPGMJZNPMI-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCc1cccc(C(=O)[O-])c1	ZINC000409300635	1067036092	/nfs/dbraw/zinc/03/60/92/1067036092.db2.gz	XRVDGURAQJMFJY-UHFFFAOYSA-N	-1	0	549.425	4.947	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)c(Br)c(Cl)c1OCC(=O)[O-]	ZINC000409301374	1067035923	/nfs/dbraw/zinc/03/59/23/1067035923.db2.gz	CFBQMGJKFJGUSE-UHFFFAOYSA-N	-1	0	587.652	4.882	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br	ZINC000409301454	1067035909	/nfs/dbraw/zinc/03/59/09/1067035909.db2.gz	FTXQORCFJACQQX-GFCCVEGCSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br	ZINC000409301456	1067035646	/nfs/dbraw/zinc/03/56/46/1067035646.db2.gz	FTXQORCFJACQQX-LBPRGKRZSA-N	-1	0	567.234	4.617	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409301849	1066354447	/nfs/dbraw/zinc/35/44/47/1066354447.db2.gz	BLDIWLFLUOJPGG-HNNXBMFYSA-N	-1	0	511.456	4.825	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409301850	1067035089	/nfs/dbraw/zinc/03/50/89/1067035089.db2.gz	BLDIWLFLUOJPGG-OAHLLOKOSA-N	-1	0	511.456	4.825	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@@H](C)C(=O)[O-])c(OC)c3)cc21	ZINC000409301933	1067035397	/nfs/dbraw/zinc/03/53/97/1067035397.db2.gz	CCWMPUFIPGZNRZ-INIZCTEOSA-N	-1	0	543.532	4.570	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(O[C@H](C)C(=O)[O-])c(OC)c3)cc21	ZINC000409301934	1067035314	/nfs/dbraw/zinc/03/53/14/1067035314.db2.gz	CCWMPUFIPGZNRZ-MRXNPFEDSA-N	-1	0	543.532	4.570	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409302221	1067034854	/nfs/dbraw/zinc/03/48/54/1067034854.db2.gz	IDQIMUGNFHUGTC-GFCCVEGCSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409302222	1067034916	/nfs/dbraw/zinc/03/49/16/1067034916.db2.gz	IDQIMUGNFHUGTC-LBPRGKRZSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Cl)c1	ZINC000409302235	1067034899	/nfs/dbraw/zinc/03/48/99/1067034899.db2.gz	IFQYOJHRIHQGEO-UHFFFAOYSA-N	-1	0	513.175	4.764	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OCC(=O)[O-]	ZINC000409302301	1067035031	/nfs/dbraw/zinc/03/50/31/1067035031.db2.gz	CUNVSARSOBLGAH-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCC(=O)[O-]	ZINC000409302494	1067035045	/nfs/dbraw/zinc/03/50/45/1067035045.db2.gz	FBBDWJLMKYLQMX-UHFFFAOYSA-N	-1	0	514.376	4.561	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)[O-]	ZINC000409302498	1067034883	/nfs/dbraw/zinc/03/48/83/1067034883.db2.gz	FBMJWIMHCFAPFK-UHFFFAOYSA-N	-1	0	567.234	4.573	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(Br)cc1OCC(=O)[O-]	ZINC000409302524	1067034989	/nfs/dbraw/zinc/03/49/89/1067034989.db2.gz	FEYKYNGPEVXVTP-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409302742	1067034589	/nfs/dbraw/zinc/03/45/89/1067034589.db2.gz	FQGTXNNIUFFEBL-GFCCVEGCSA-N	-1	0	567.234	4.788	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409302743	1067034749	/nfs/dbraw/zinc/03/47/49/1067034749.db2.gz	FQGTXNNIUFFEBL-LBPRGKRZSA-N	-1	0	567.234	4.788	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC000409302803	1067034713	/nfs/dbraw/zinc/03/47/13/1067034713.db2.gz	KSFRCQTZXYRSJI-GFCCVEGCSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC000409302804	1067034679	/nfs/dbraw/zinc/03/46/79/1067034679.db2.gz	KSFRCQTZXYRSJI-LBPRGKRZSA-N	-1	0	567.234	4.789	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409302815	1067034581	/nfs/dbraw/zinc/03/45/81/1067034581.db2.gz	GQBIFWBSYSWJCP-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)[O-]	ZINC000409302849	1067034520	/nfs/dbraw/zinc/03/45/20/1067034520.db2.gz	LBVMOOGROWRDHP-CYBMUJFWSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409302851	1067034636	/nfs/dbraw/zinc/03/46/36/1067034636.db2.gz	LBVMOOGROWRDHP-ZDUSSCGKSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)[O-]	ZINC000409302890	1067034357	/nfs/dbraw/zinc/03/43/57/1067034357.db2.gz	GWZMAZRWXMCBEP-UHFFFAOYSA-N	-1	0	628.261	4.805	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(=O)[O-]	ZINC000409302902	1067034184	/nfs/dbraw/zinc/03/41/84/1067034184.db2.gz	HBCDAYOBOFMMFQ-UHFFFAOYSA-N	-1	0	567.234	4.573	40	30		KJEBRM
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409302944	1067034130	/nfs/dbraw/zinc/03/41/30/1067034130.db2.gz	HKQJWKOZOCZWSR-UHFFFAOYSA-N	-1	0	522.355	4.635	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC000409303513	1067033829	/nfs/dbraw/zinc/03/38/29/1067033829.db2.gz	NGGPQXQFNDUVSK-GFCCVEGCSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC000409303516	1066354360	/nfs/dbraw/zinc/35/43/60/1066354360.db2.gz	NGGPQXQFNDUVSK-LBPRGKRZSA-N	-1	0	567.234	4.789	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1O[C@@H](C)C(=O)[O-]	ZINC000409303592	1067034261	/nfs/dbraw/zinc/03/42/61/1067034261.db2.gz	HKVQDPLKSJRUEU-HNNXBMFYSA-N	-1	0	528.403	4.949	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1O[C@H](C)C(=O)[O-]	ZINC000409303594	1067034115	/nfs/dbraw/zinc/03/41/15/1067034115.db2.gz	HKVQDPLKSJRUEU-OAHLLOKOSA-N	-1	0	528.403	4.949	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1	ZINC000409303762	1067033975	/nfs/dbraw/zinc/03/39/75/1067033975.db2.gz	HXGZGBCXYLEABQ-UHFFFAOYSA-N	-1	0	506.356	4.881	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-]	ZINC000409304102	1067033725	/nfs/dbraw/zinc/03/37/25/1067033725.db2.gz	IZEKITGJQDNPEA-HNNXBMFYSA-N	-1	0	528.403	4.583	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-]	ZINC000409304104	1067033925	/nfs/dbraw/zinc/03/39/25/1067033925.db2.gz	IZEKITGJQDNPEA-OAHLLOKOSA-N	-1	0	528.403	4.583	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000409304215	1067033360	/nfs/dbraw/zinc/03/33/60/1067033360.db2.gz	QKRKFCKGQDJJLF-UHFFFAOYSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409304363	1067033472	/nfs/dbraw/zinc/03/34/72/1067033472.db2.gz	JTJRZIQIQKQHSF-GFCCVEGCSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409304366	1067033429	/nfs/dbraw/zinc/03/34/29/1067033429.db2.gz	JTJRZIQIQKQHSF-LBPRGKRZSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409304576	1066355673	/nfs/dbraw/zinc/35/56/73/1066355673.db2.gz	LSHMQIXBWHBRLU-LLVKDONJSA-N	-1	0	582.205	4.687	40	30		KJEBRM
CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409304579	1066355611	/nfs/dbraw/zinc/35/56/11/1066355611.db2.gz	LSHMQIXBWHBRLU-NSHDSACASA-N	-1	0	582.205	4.687	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(OC)c1	ZINC000409304632	1067033041	/nfs/dbraw/zinc/03/30/41/1067033041.db2.gz	SEFAEPKPJFHFQG-GFCCVEGCSA-N	-1	0	614.234	4.631	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(OC)c1	ZINC000409304636	1067033016	/nfs/dbraw/zinc/03/30/16/1067033016.db2.gz	SEFAEPKPJFHFQG-LBPRGKRZSA-N	-1	0	614.234	4.631	40	30		KJEBRM
O=C([O-])COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1	ZINC000409304697	1066355552	/nfs/dbraw/zinc/35/55/52/1066355552.db2.gz	KQFHDDYYXURAQA-UHFFFAOYSA-N	-1	0	518.869	4.717	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Br)c1Br	ZINC000409304785	1067033170	/nfs/dbraw/zinc/03/31/70/1067033170.db2.gz	KYMLROBIUICXSJ-UHFFFAOYSA-N	-1	0	618.076	4.601	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409304799	1067033083	/nfs/dbraw/zinc/03/30/83/1067033083.db2.gz	LDBNIYORBWSSGB-HNNXBMFYSA-N	-1	0	528.403	4.949	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409304801	1067032989	/nfs/dbraw/zinc/03/29/89/1067032989.db2.gz	LDBNIYORBWSSGB-OAHLLOKOSA-N	-1	0	528.403	4.949	40	30		KJEBRM
O=C([O-])COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1	ZINC000409304946	1067033238	/nfs/dbraw/zinc/03/32/38/1067033238.db2.gz	UEPJGXISXSSNOW-UHFFFAOYSA-N	-1	0	518.323	4.918	40	30		KJEBRM
O=C([O-])COc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-]	ZINC000409305109	1067033184	/nfs/dbraw/zinc/03/31/84/1067033184.db2.gz	MUKNAIVQXUERIS-UHFFFAOYSA-N	-1	0	563.320	4.826	40	30		KJEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1[N+](=O)[O-]	ZINC000409305141	1067033136	/nfs/dbraw/zinc/03/31/36/1067033136.db2.gz	LWAUMSFHUXHZAV-UHFFFAOYSA-N	-1	0	518.869	4.717	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-]	ZINC000409305396	1067032592	/nfs/dbraw/zinc/03/25/92/1067032592.db2.gz	MPFMDCOLOXGGPL-UHFFFAOYSA-N	-1	0	511.456	4.827	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409305540	1067032791	/nfs/dbraw/zinc/03/27/91/1067032791.db2.gz	VXSWHQYSCROTQL-CYBMUJFWSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409305542	1067032633	/nfs/dbraw/zinc/03/26/33/1067032633.db2.gz	VXSWHQYSCROTQL-ZDUSSCGKSA-N	-1	0	551.235	4.998	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OCC(=O)[O-]	ZINC000409305620	1067032734	/nfs/dbraw/zinc/03/27/34/1067032734.db2.gz	NYNGWXCLYPFTRB-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409305844	1067032307	/nfs/dbraw/zinc/03/23/07/1067032307.db2.gz	NQOZJZARLVWNSX-HNNXBMFYSA-N	-1	0	528.403	4.754	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409305847	1067032420	/nfs/dbraw/zinc/03/24/20/1067032420.db2.gz	NQOZJZARLVWNSX-OAHLLOKOSA-N	-1	0	528.403	4.754	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C	ZINC000409306067	1066355691	/nfs/dbraw/zinc/35/56/91/1066355691.db2.gz	OXLLNZMLNLTEEG-KRWDZBQOSA-N	-1	0	537.414	4.863	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C	ZINC000409306070	1067032252	/nfs/dbraw/zinc/03/22/52/1067032252.db2.gz	OXLLNZMLNLTEEG-QGZVFWFLSA-N	-1	0	537.414	4.863	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000409306093	1067032294	/nfs/dbraw/zinc/03/22/94/1067032294.db2.gz	YJCBJGGHCHENIM-JTQLQIEISA-N	-1	0	524.169	4.931	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000409306096	1067032404	/nfs/dbraw/zinc/03/24/04/1067032404.db2.gz	YJCBJGGHCHENIM-SNVBAGLBSA-N	-1	0	524.169	4.931	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000409306333	1067032317	/nfs/dbraw/zinc/03/23/17/1067032317.db2.gz	OXFATWLDKCDPPX-UHFFFAOYSA-N	-1	0	581.379	4.798	40	30		KJEBRM
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000409306411	1067031928	/nfs/dbraw/zinc/03/19/28/1067031928.db2.gz	PCHULPNWIVKXEU-AWEZNQCLSA-N	-1	0	526.427	4.725	40	30		KJEBRM
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000409306414	1067032023	/nfs/dbraw/zinc/03/20/23/1067032023.db2.gz	PCHULPNWIVKXEU-CQSZACIVSA-N	-1	0	526.427	4.725	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Cl)c1Br	ZINC000409306483	1066356036	/nfs/dbraw/zinc/35/60/36/1066356036.db2.gz	QGZFAVAYAKLJAM-JTQLQIEISA-N	-1	0	587.652	4.880	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Cl)c1Br	ZINC000409306485	1067031959	/nfs/dbraw/zinc/03/19/59/1067031959.db2.gz	QGZFAVAYAKLJAM-SNVBAGLBSA-N	-1	0	587.652	4.880	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC000409306612	1067031991	/nfs/dbraw/zinc/03/19/91/1067031991.db2.gz	RBSAJPYACYWGKO-HNNXBMFYSA-N	-1	0	575.403	4.792	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC000409306615	1066356169	/nfs/dbraw/zinc/35/61/69/1066356169.db2.gz	RBSAJPYACYWGKO-OAHLLOKOSA-N	-1	0	575.403	4.792	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)[O-]	ZINC000409306737	1067031649	/nfs/dbraw/zinc/03/16/49/1067031649.db2.gz	QSANHRJBOLZMSH-UHFFFAOYSA-N	-1	0	537.208	4.565	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c1Br	ZINC000409306754	1067031679	/nfs/dbraw/zinc/03/16/79/1067031679.db2.gz	RQBYOEKKHLLPTM-JTQLQIEISA-N	-1	0	632.103	4.989	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c1Br	ZINC000409306756	1067031562	/nfs/dbraw/zinc/03/15/62/1067031562.db2.gz	RQBYOEKKHLLPTM-SNVBAGLBSA-N	-1	0	632.103	4.989	40	30		KJEBRM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000409306785	1067031636	/nfs/dbraw/zinc/03/16/36/1067031636.db2.gz	PYAYQQPNNZCPSI-UHFFFAOYSA-N	-1	0	537.326	4.535	40	30		KJEBRM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3OCC(=O)[O-])cc21	ZINC000409306972	1067031155	/nfs/dbraw/zinc/03/11/55/1067031155.db2.gz	SPHZWOVOYNZYAT-UHFFFAOYSA-N	-1	0	503.898	4.817	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409307134	1067031243	/nfs/dbraw/zinc/03/12/43/1067031243.db2.gz	SXJKYKMRIXNDAW-GFCCVEGCSA-N	-1	0	522.783	4.679	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409307135	1067031312	/nfs/dbraw/zinc/03/13/12/1067031312.db2.gz	SXJKYKMRIXNDAW-LBPRGKRZSA-N	-1	0	522.783	4.679	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)ccc1OCC(=O)[O-]	ZINC000409307226	1066356096	/nfs/dbraw/zinc/35/60/96/1066356096.db2.gz	UCHXKLFJHQZQJD-UHFFFAOYSA-N	-1	0	548.349	4.926	40	30		KJEBRM
COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1O[C@H](C)C(=O)[O-]	ZINC000409307262	1066355988	/nfs/dbraw/zinc/35/59/88/1066355988.db2.gz	UGMOGXWYUNANKK-GFCCVEGCSA-N	-1	0	522.783	4.679	40	30		KJEBRM
COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC000409307264	1067031279	/nfs/dbraw/zinc/03/12/79/1067031279.db2.gz	UGMOGXWYUNANKK-LBPRGKRZSA-N	-1	0	522.783	4.679	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409307371	1067042766	/nfs/dbraw/zinc/04/27/66/1067042766.db2.gz	SOAPXQVKIADDAE-GFCCVEGCSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409307373	1066356186	/nfs/dbraw/zinc/35/61/86/1066356186.db2.gz	SOAPXQVKIADDAE-LBPRGKRZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409308047	1067042605	/nfs/dbraw/zinc/04/26/05/1067042605.db2.gz	VXWZOCOOJDNREW-HNNXBMFYSA-N	-1	0	511.456	4.825	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409308049	1066354786	/nfs/dbraw/zinc/35/47/86/1066354786.db2.gz	VXWZOCOOJDNREW-OAHLLOKOSA-N	-1	0	511.456	4.825	40	30		KJEBRM
CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1	ZINC000409308580	1067042202	/nfs/dbraw/zinc/04/22/02/1067042202.db2.gz	YACHENNKFKLIEO-UHFFFAOYSA-N	-1	0	581.379	4.934	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409308691	1067041989	/nfs/dbraw/zinc/04/19/89/1067041989.db2.gz	YKDMRHWZIKRWQS-SECBINFHSA-N	-1	0	618.076	4.735	40	30		KJEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409308694	1067042066	/nfs/dbraw/zinc/04/20/66/1067042066.db2.gz	YKDMRHWZIKRWQS-VIFPVBQESA-N	-1	0	618.076	4.735	40	30		KJEBRM
O=C([O-])COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1	ZINC000409308958	1067041773	/nfs/dbraw/zinc/04/17/73/1067041773.db2.gz	ZOZLBTMPKNVSSF-UHFFFAOYSA-N	-1	0	518.323	4.918	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000409309023	1067041571	/nfs/dbraw/zinc/04/15/71/1067041571.db2.gz	ADMDQTIJSLRQKT-LLVKDONJSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000409309024	1067041610	/nfs/dbraw/zinc/04/16/10/1067041610.db2.gz	ADMDQTIJSLRQKT-NSHDSACASA-N	-1	0	537.754	4.580	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000409309226	1067041718	/nfs/dbraw/zinc/04/17/18/1067041718.db2.gz	DDKOLNJBMXQDGP-CYBMUJFWSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000409309227	1067041584	/nfs/dbraw/zinc/04/15/84/1067041584.db2.gz	DDKOLNJBMXQDGP-ZDUSSCGKSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(Br)c1	ZINC000409309444	1067041733	/nfs/dbraw/zinc/04/17/33/1067041733.db2.gz	HICQQSGHLMKMFN-UHFFFAOYSA-N	-1	0	557.626	4.873	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409309814	1066354879	/nfs/dbraw/zinc/35/48/79/1066354879.db2.gz	MUDYDHWWQVSTQX-CABCVRRESA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409309815	1067041287	/nfs/dbraw/zinc/04/12/87/1067041287.db2.gz	MUDYDHWWQVSTQX-GJZGRUSLSA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@H](C)C(=O)[O-]	ZINC000409309816	1067041367	/nfs/dbraw/zinc/04/13/67/1067041367.db2.gz	MUDYDHWWQVSTQX-HUUCEWRRSA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@H](C)C(=O)[O-]	ZINC000409309817	1067041255	/nfs/dbraw/zinc/04/12/55/1067041255.db2.gz	MUDYDHWWQVSTQX-LSDHHAIUSA-N	-1	0	516.392	4.805	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409310060	1067041333	/nfs/dbraw/zinc/04/13/33/1067041333.db2.gz	PRAWLPQAPCXNBU-UHFFFAOYSA-N	-1	0	542.430	4.974	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21	ZINC000409310197	1067041318	/nfs/dbraw/zinc/04/13/18/1067041318.db2.gz	RZRQJRSLQJPKIO-HNNXBMFYSA-N	-1	0	508.372	4.999	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O[C@H](C)C(=O)[O-])ccc2ccccc21	ZINC000409310198	1067041241	/nfs/dbraw/zinc/04/12/41/1067041241.db2.gz	RZRQJRSLQJPKIO-OAHLLOKOSA-N	-1	0	508.372	4.999	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCC(=O)[O-]	ZINC000409310792	1066354754	/nfs/dbraw/zinc/35/47/54/1066354754.db2.gz	BWYNYLYDKJDOTN-UHFFFAOYSA-N	-1	0	544.402	4.570	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000409310936	1067040859	/nfs/dbraw/zinc/04/08/59/1067040859.db2.gz	XJVBEIYQSVTXEZ-UHFFFAOYSA-N	-1	0	537.414	4.865	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-]	ZINC000409311133	1067040992	/nfs/dbraw/zinc/04/09/92/1067040992.db2.gz	DMLPXTHVZYIFAF-INIZCTEOSA-N	-1	0	542.430	4.973	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-]	ZINC000409311136	1067040765	/nfs/dbraw/zinc/04/07/65/1067040765.db2.gz	DMLPXTHVZYIFAF-MRXNPFEDSA-N	-1	0	542.430	4.973	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC000409311358	1067040846	/nfs/dbraw/zinc/04/08/46/1067040846.db2.gz	ZMNIYUCKSKNYSL-UHFFFAOYSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(OCC(=O)[O-])c1	ZINC000409312077	1067040623	/nfs/dbraw/zinc/04/06/23/1067040623.db2.gz	JHGFFNFVFXWDKT-UHFFFAOYSA-N	-1	0	527.419	4.618	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@H](C)C(=O)[O-]	ZINC000409312173	1067040552	/nfs/dbraw/zinc/04/05/52/1067040552.db2.gz	DQNDSXSYUNYKLI-GFCCVEGCSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409312174	1067040437	/nfs/dbraw/zinc/04/04/37/1067040437.db2.gz	DQNDSXSYUNYKLI-LBPRGKRZSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409312210	1067039942	/nfs/dbraw/zinc/03/99/42/1067039942.db2.gz	KBSZAFCAQHMKSI-UHFFFAOYSA-N	-1	0	524.169	4.760	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)o1	ZINC000409312373	1067039973	/nfs/dbraw/zinc/03/99/73/1067039973.db2.gz	LDIGAAOBBCOIFK-HNNXBMFYSA-N	-1	0	571.453	4.640	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)o1	ZINC000409312375	1066355209	/nfs/dbraw/zinc/35/52/09/1066355209.db2.gz	LDIGAAOBBCOIFK-OAHLLOKOSA-N	-1	0	571.453	4.640	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409312463	1067040187	/nfs/dbraw/zinc/04/01/87/1067040187.db2.gz	LRZYVFAGYUJPIY-AWEZNQCLSA-N	-1	0	561.389	4.543	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409312466	1067039929	/nfs/dbraw/zinc/03/99/29/1067039929.db2.gz	LRZYVFAGYUJPIY-CQSZACIVSA-N	-1	0	561.389	4.543	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409312550	1067040048	/nfs/dbraw/zinc/04/00/48/1067040048.db2.gz	LSLQIWYWTNYEET-LLVKDONJSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409312551	1067040200	/nfs/dbraw/zinc/04/02/00/1067040200.db2.gz	LSLQIWYWTNYEET-NSHDSACASA-N	-1	0	582.205	4.516	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(Br)c1	ZINC000409312597	1067040130	/nfs/dbraw/zinc/04/01/30/1067040130.db2.gz	MOFFNQWLPKVQFC-GFCCVEGCSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(Br)c1	ZINC000409312599	1067040173	/nfs/dbraw/zinc/04/01/73/1067040173.db2.gz	MOFFNQWLPKVQFC-LBPRGKRZSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409312910	1066355288	/nfs/dbraw/zinc/35/52/88/1066355288.db2.gz	NBFGFNCPQRWXOQ-UHFFFAOYSA-N	-1	0	582.205	4.518	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC000409313121	1067039583	/nfs/dbraw/zinc/03/95/83/1067039583.db2.gz	HGRBUVUMYVKKKO-UHFFFAOYSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(I)c1	ZINC000409313460	1067039310	/nfs/dbraw/zinc/03/93/10/1067039310.db2.gz	OUWZBFQVGIPLEL-CYBMUJFWSA-N	-1	0	598.235	4.840	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(I)c1	ZINC000409313462	1067039520	/nfs/dbraw/zinc/03/95/20/1067039520.db2.gz	OUWZBFQVGIPLEL-ZDUSSCGKSA-N	-1	0	598.235	4.840	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OCC(=O)[O-]	ZINC000409313621	1067039282	/nfs/dbraw/zinc/03/92/82/1067039282.db2.gz	QEKQCGWEQQULLU-UHFFFAOYSA-N	-1	0	514.376	4.561	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Br)c1Br	ZINC000409313799	1067039324	/nfs/dbraw/zinc/03/93/24/1067039324.db2.gz	DGLVHDOSHQHECN-UHFFFAOYSA-N	-1	0	632.103	4.991	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-]	ZINC000409314192	1067039357	/nfs/dbraw/zinc/03/93/57/1067039357.db2.gz	RVZQVRZPIXOJHQ-UHFFFAOYSA-N	-1	0	557.626	4.873	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000409314802	1066356639	/nfs/dbraw/zinc/35/66/39/1066356639.db2.gz	SNORCHKCLVEDGN-UHFFFAOYSA-N	-1	0	582.205	4.518	40	30		KJEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409315127	1067038355	/nfs/dbraw/zinc/03/83/55/1067038355.db2.gz	IKOQPESHFFEBRL-AWEZNQCLSA-N	-1	0	543.374	4.849	40	30		KJEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000409315130	1067038488	/nfs/dbraw/zinc/03/84/88/1067038488.db2.gz	IKOQPESHFFEBRL-CQSZACIVSA-N	-1	0	543.374	4.849	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1	ZINC000409315490	1067043593	/nfs/dbraw/zinc/04/35/93/1067043593.db2.gz	VQAUUEQHPSJLGF-CYBMUJFWSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1	ZINC000409315493	1067043667	/nfs/dbraw/zinc/04/36/67/1067043667.db2.gz	VQAUUEQHPSJLGF-ZDUSSCGKSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409315730	1067043532	/nfs/dbraw/zinc/04/35/32/1067043532.db2.gz	WQFXTGYSGSZCGB-LLVKDONJSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409315735	1067043640	/nfs/dbraw/zinc/04/36/40/1067043640.db2.gz	WQFXTGYSGSZCGB-NSHDSACASA-N	-1	0	582.205	4.516	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCC(=O)[O-]	ZINC000409316202	1067043212	/nfs/dbraw/zinc/04/32/12/1067043212.db2.gz	LPTJLVHODCFMIL-UHFFFAOYSA-N	-1	0	514.376	4.561	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409316335	1067043293	/nfs/dbraw/zinc/04/32/93/1067043293.db2.gz	MIDPOYLYFWHDMX-UHFFFAOYSA-N	-1	0	528.403	4.584	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(I)c1	ZINC000409316425	1067043183	/nfs/dbraw/zinc/04/31/83/1067043183.db2.gz	QDHFDFMZXFQJLB-GFCCVEGCSA-N	-1	0	584.208	4.623	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(I)c1	ZINC000409316428	1066356884	/nfs/dbraw/zinc/35/68/84/1066356884.db2.gz	QDHFDFMZXFQJLB-LBPRGKRZSA-N	-1	0	584.208	4.623	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409316579	1066356926	/nfs/dbraw/zinc/35/69/26/1066356926.db2.gz	ZOZNETDWALNJFN-GFCCVEGCSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409316581	1067043341	/nfs/dbraw/zinc/04/33/41/1067043341.db2.gz	ZOZNETDWALNJFN-LBPRGKRZSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC000409316597	1067042838	/nfs/dbraw/zinc/04/28/38/1067042838.db2.gz	ZQOJQLFKOZMCBD-CYBMUJFWSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC000409316599	1067042719	/nfs/dbraw/zinc/04/27/19/1067042719.db2.gz	ZQOJQLFKOZMCBD-ZDUSSCGKSA-N	-1	0	628.261	4.849	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409316602	1067043274	/nfs/dbraw/zinc/04/32/74/1067043274.db2.gz	YWVGITYRPQHETM-INIZCTEOSA-N	-1	0	542.430	4.973	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409316604	1067043129	/nfs/dbraw/zinc/04/31/29/1067043129.db2.gz	YWVGITYRPQHETM-MRXNPFEDSA-N	-1	0	542.430	4.973	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409316786	1067042974	/nfs/dbraw/zinc/04/29/74/1067042974.db2.gz	MKTBXTLTIUUODB-UHFFFAOYSA-N	-1	0	573.400	4.859	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409317668	1067049563	/nfs/dbraw/zinc/04/95/63/1067049563.db2.gz	RRBCINXCIPJOQN-HNNXBMFYSA-N	-1	0	528.403	4.583	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409317670	1067049701	/nfs/dbraw/zinc/04/97/01/1067049701.db2.gz	RRBCINXCIPJOQN-OAHLLOKOSA-N	-1	0	528.403	4.583	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)[O-]	ZINC000409317808	1067049761	/nfs/dbraw/zinc/04/97/61/1067049761.db2.gz	VZPOCGNZWOQZSH-UHFFFAOYSA-N	-1	0	537.208	4.610	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)[O-]	ZINC000409318050	1067049534	/nfs/dbraw/zinc/04/95/34/1067049534.db2.gz	SSQHFCMOWFFDHU-GFCCVEGCSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)[O-]	ZINC000409318052	1067049822	/nfs/dbraw/zinc/04/98/22/1067049822.db2.gz	SSQHFCMOWFFDHU-LBPRGKRZSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC000409318635	1067049410	/nfs/dbraw/zinc/04/94/10/1067049410.db2.gz	ZCGULBYQEFMLGM-UHFFFAOYSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)C(=O)[O-]	ZINC000409318909	1067049179	/nfs/dbraw/zinc/04/91/79/1067049179.db2.gz	YSDOKXBZAIKDLM-CYBMUJFWSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409318911	1067049399	/nfs/dbraw/zinc/04/93/99/1067049399.db2.gz	YSDOKXBZAIKDLM-ZDUSSCGKSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409318998	1067049463	/nfs/dbraw/zinc/04/94/63/1067049463.db2.gz	ZOKVRNDZNUBMEN-LLVKDONJSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409318999	1067049262	/nfs/dbraw/zinc/04/92/62/1067049262.db2.gz	ZOKVRNDZNUBMEN-NSHDSACASA-N	-1	0	582.205	4.689	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br	ZINC000409319412	1066207275	/nfs/dbraw/zinc/20/72/75/1066207275.db2.gz	FUCBCJGKDLDTPJ-UHFFFAOYSA-N	-1	0	587.652	4.882	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000409320243	1067048535	/nfs/dbraw/zinc/04/85/35/1067048535.db2.gz	CKVOGWSGECOVKT-GFCCVEGCSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000409320247	1067048518	/nfs/dbraw/zinc/04/85/18/1067048518.db2.gz	CKVOGWSGECOVKT-LBPRGKRZSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409320254	1067048502	/nfs/dbraw/zinc/04/85/02/1067048502.db2.gz	AMGMYPWIECJIKR-KBPBESRZSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409320258	1067048605	/nfs/dbraw/zinc/04/86/05/1067048605.db2.gz	AMGMYPWIECJIKR-KGLIPLIRSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409320260	1067048619	/nfs/dbraw/zinc/04/86/19/1067048619.db2.gz	AMGMYPWIECJIKR-UONOGXRCSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409320264	1067048666	/nfs/dbraw/zinc/04/86/66/1067048666.db2.gz	AMGMYPWIECJIKR-ZIAGYGMSSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409320496	1066355944	/nfs/dbraw/zinc/35/59/44/1066355944.db2.gz	QBMIEMKTQRTSSU-JTQLQIEISA-N	-1	0	524.169	4.931	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409320498	1067048694	/nfs/dbraw/zinc/04/86/94/1067048694.db2.gz	QBMIEMKTQRTSSU-SNVBAGLBSA-N	-1	0	524.169	4.931	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC000409320787	1067048215	/nfs/dbraw/zinc/04/82/15/1067048215.db2.gz	FDLHRWNZQBNDNM-HNNXBMFYSA-N	-1	0	516.392	4.634	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC000409320791	1067048121	/nfs/dbraw/zinc/04/81/21/1067048121.db2.gz	FDLHRWNZQBNDNM-OAHLLOKOSA-N	-1	0	516.392	4.634	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC000409320822	1067048042	/nfs/dbraw/zinc/04/80/42/1067048042.db2.gz	CXAAOSTVDYETML-CYBMUJFWSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC000409320825	1067047939	/nfs/dbraw/zinc/04/79/39/1067047939.db2.gz	CXAAOSTVDYETML-ZDUSSCGKSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321052	1067047835	/nfs/dbraw/zinc/04/78/35/1067047835.db2.gz	GLFACFZSYZNWBP-NEPJUHHUSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321059	1067047727	/nfs/dbraw/zinc/04/77/27/1067047727.db2.gz	GLFACFZSYZNWBP-NWDGAFQWSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321063	1067047902	/nfs/dbraw/zinc/04/79/02/1067047902.db2.gz	GLFACFZSYZNWBP-RYUDHWBXSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321066	1067047658	/nfs/dbraw/zinc/04/76/58/1067047658.db2.gz	GLFACFZSYZNWBP-VXGBXAGGSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)[O-])c(Br)c1	ZINC000409321186	1067047755	/nfs/dbraw/zinc/04/77/55/1067047755.db2.gz	DXGSEBFDKQNKSA-UHFFFAOYSA-N	-1	0	537.208	4.610	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC000409321415	1067047436	/nfs/dbraw/zinc/04/74/36/1067047436.db2.gz	GFVYGQPZFTWZQZ-UHFFFAOYSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCC(=O)[O-]	ZINC000409321629	1067047422	/nfs/dbraw/zinc/04/74/22/1067047422.db2.gz	UAVMZUCHGOVVEY-UHFFFAOYSA-N	-1	0	528.403	4.951	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409321788	1067047465	/nfs/dbraw/zinc/04/74/65/1067047465.db2.gz	UVADTIXOXPANLA-CYBMUJFWSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409321790	1067047301	/nfs/dbraw/zinc/04/73/01/1067047301.db2.gz	UVADTIXOXPANLA-ZDUSSCGKSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC000409321827	1067047329	/nfs/dbraw/zinc/04/73/29/1067047329.db2.gz	VCVLNMFOBCHSLM-GFCCVEGCSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC000409321828	1067047542	/nfs/dbraw/zinc/04/75/42/1067047542.db2.gz	VCVLNMFOBCHSLM-LBPRGKRZSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321908	1066356495	/nfs/dbraw/zinc/35/64/95/1066356495.db2.gz	HYYBUXNGBMIKIF-LLVKDONJSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000409321910	1067047558	/nfs/dbraw/zinc/04/75/58/1067047558.db2.gz	HYYBUXNGBMIKIF-NSHDSACASA-N	-1	0	582.205	4.689	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)[O-]	ZINC000409321988	1067047365	/nfs/dbraw/zinc/04/73/65/1067047365.db2.gz	KEKFKKKGRZKLLC-HNNXBMFYSA-N	-1	0	528.403	4.755	40	30		KJEBRM
C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)[O-]	ZINC000409321992	1067047146	/nfs/dbraw/zinc/04/71/46/1067047146.db2.gz	KEKFKKKGRZKLLC-OAHLLOKOSA-N	-1	0	528.403	4.755	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(OCC)c1	ZINC000409323397	1067046624	/nfs/dbraw/zinc/04/66/24/1067046624.db2.gz	NRKUQAPYZGUQAO-UHFFFAOYSA-N	-1	0	628.261	4.851	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000409323420	1067046564	/nfs/dbraw/zinc/04/65/64/1067046564.db2.gz	OBCJTWVBZAJTKE-UHFFFAOYSA-N	-1	0	501.337	4.711	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409323622	1067046432	/nfs/dbraw/zinc/04/64/32/1067046432.db2.gz	OQEGPRSZGACBAO-GFCCVEGCSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409323624	1067046282	/nfs/dbraw/zinc/04/62/82/1067046282.db2.gz	OQEGPRSZGACBAO-LBPRGKRZSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c([O-])c(I)c1	ZINC000409323981	1067046067	/nfs/dbraw/zinc/04/60/67/1067046067.db2.gz	QMVBPLIEJYDWOR-UHFFFAOYSA-N	-1	0	638.041	4.909	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409323994	1067045897	/nfs/dbraw/zinc/04/58/97/1067045897.db2.gz	QQFBUPQPLORTIE-HNNXBMFYSA-N	-1	0	558.429	4.958	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409323997	1067046202	/nfs/dbraw/zinc/04/62/02/1067046202.db2.gz	QQFBUPQPLORTIE-OAHLLOKOSA-N	-1	0	558.429	4.958	40	30		KJEBRM
C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409324004	1067046174	/nfs/dbraw/zinc/04/61/74/1067046174.db2.gz	QNNANDYJFRSOMW-UHFFFAOYSA-N	-1	0	528.403	4.584	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409324102	1067045960	/nfs/dbraw/zinc/04/59/60/1067045960.db2.gz	RAJBTYQAKNFESY-LLVKDONJSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000409324105	1067045987	/nfs/dbraw/zinc/04/59/87/1067045987.db2.gz	RAJBTYQAKNFESY-NSHDSACASA-N	-1	0	537.754	4.580	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC000409324235	1067045772	/nfs/dbraw/zinc/04/57/72/1067045772.db2.gz	RTOIXEBPWCQGJI-GFCCVEGCSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC000409324237	1066356462	/nfs/dbraw/zinc/35/64/62/1066356462.db2.gz	RTOIXEBPWCQGJI-LBPRGKRZSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409324354	1067045629	/nfs/dbraw/zinc/04/56/29/1067045629.db2.gz	SFXMFSUVURQSNY-NEPJUHHUSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409324355	1067045403	/nfs/dbraw/zinc/04/54/03/1067045403.db2.gz	SFXMFSUVURQSNY-NWDGAFQWSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409324356	1067045490	/nfs/dbraw/zinc/04/54/90/1067045490.db2.gz	SFXMFSUVURQSNY-RYUDHWBXSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409324357	1066356552	/nfs/dbraw/zinc/35/65/52/1066356552.db2.gz	SFXMFSUVURQSNY-VXGBXAGGSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(OCC)c1	ZINC000409325416	1067045204	/nfs/dbraw/zinc/04/52/04/1067045204.db2.gz	YJRBVIVZXVVJAB-UHFFFAOYSA-N	-1	0	567.234	4.618	40	30		KJEBRM
C[C@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409326067	1067044879	/nfs/dbraw/zinc/04/48/79/1067044879.db2.gz	GGVSGWSDKMMRTG-AWEZNQCLSA-N	-1	0	543.374	4.849	40	30		KJEBRM
C[C@@H](Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000409326068	1067044622	/nfs/dbraw/zinc/04/46/22/1067044622.db2.gz	GGVSGWSDKMMRTG-CQSZACIVSA-N	-1	0	543.374	4.849	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(OCC)c1	ZINC000409326108	1067044744	/nfs/dbraw/zinc/04/47/44/1067044744.db2.gz	GWOXTONYRNOHRG-UHFFFAOYSA-N	-1	0	536.810	4.899	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409326378	1067044518	/nfs/dbraw/zinc/04/45/18/1067044518.db2.gz	JWSZYLITTNBYGT-GFCCVEGCSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409326380	1066358296	/nfs/dbraw/zinc/35/82/96/1066358296.db2.gz	JWSZYLITTNBYGT-LBPRGKRZSA-N	-1	0	596.232	4.906	40	30		KJEBRM
C#CCOc1c(I)cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1I	ZINC000409326817	1066357605	/nfs/dbraw/zinc/35/76/05/1066357605.db2.gz	DWLFWKXUKBGSBD-ZROIWOOFSA-N	-1	0	652.298	4.516	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409327013	1067043893	/nfs/dbraw/zinc/04/38/93/1067043893.db2.gz	PXUVOGIYVQXEHM-GFCCVEGCSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409327014	1067043875	/nfs/dbraw/zinc/04/38/75/1067043875.db2.gz	PXUVOGIYVQXEHM-LBPRGKRZSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000409327196	1067044032	/nfs/dbraw/zinc/04/40/32/1067044032.db2.gz	RDXQPCQISDJYJN-UHFFFAOYSA-N	-1	0	524.169	4.760	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC000409327452	1067055985	/nfs/dbraw/zinc/05/59/85/1067055985.db2.gz	UEGNYFIQZRCDIU-AWEZNQCLSA-N	-1	0	573.400	4.858	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC000409327454	1067056097	/nfs/dbraw/zinc/05/60/97/1067056097.db2.gz	UEGNYFIQZRCDIU-CQSZACIVSA-N	-1	0	573.400	4.858	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)[O-])c(I)c1	ZINC000409327546	1067055707	/nfs/dbraw/zinc/05/57/07/1067055707.db2.gz	UZDPXDBXKMSMIF-UHFFFAOYSA-N	-1	0	696.077	4.666	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409327696	1066357564	/nfs/dbraw/zinc/35/75/64/1066357564.db2.gz	WIPBVCNEWDDYLU-GFCCVEGCSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409327697	1066357311	/nfs/dbraw/zinc/35/73/11/1066357311.db2.gz	WIPBVCNEWDDYLU-LBPRGKRZSA-N	-1	0	522.783	4.508	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@@H](C)C(=O)[O-]	ZINC000409327900	1067055454	/nfs/dbraw/zinc/05/54/54/1067055454.db2.gz	XVQXZRQGNOUMFR-HNNXBMFYSA-N	-1	0	528.403	4.949	40	30		KJEBRM
COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1O[C@H](C)C(=O)[O-]	ZINC000409327901	1067055582	/nfs/dbraw/zinc/05/55/82/1067055582.db2.gz	XVQXZRQGNOUMFR-OAHLLOKOSA-N	-1	0	528.403	4.949	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC000409331592	1067053871	/nfs/dbraw/zinc/05/38/71/1067053871.db2.gz	GOYWGEGJRSZEKR-GFCCVEGCSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC000409331596	1067054063	/nfs/dbraw/zinc/05/40/63/1067054063.db2.gz	GOYWGEGJRSZEKR-LBPRGKRZSA-N	-1	0	522.783	4.680	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409331657	1067053997	/nfs/dbraw/zinc/05/39/97/1067053997.db2.gz	HDWUPBMXMYXZPV-HNNXBMFYSA-N	-1	0	528.403	4.949	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409331661	1067053929	/nfs/dbraw/zinc/05/39/29/1067053929.db2.gz	HDWUPBMXMYXZPV-OAHLLOKOSA-N	-1	0	528.403	4.949	40	30		KJEBRM
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-]	ZINC000409331677	1067053838	/nfs/dbraw/zinc/05/38/38/1067053838.db2.gz	HEYKOSDJSJINJZ-AWEZNQCLSA-N	-1	0	543.374	4.849	40	30		KJEBRM
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1)C(=O)[O-]	ZINC000409331681	1067053983	/nfs/dbraw/zinc/05/39/83/1067053983.db2.gz	HEYKOSDJSJINJZ-CQSZACIVSA-N	-1	0	543.374	4.849	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)[O-])c(OCC)c1	ZINC000409332784	1067053019	/nfs/dbraw/zinc/05/30/19/1067053019.db2.gz	MIJHBXJMNUFVIM-UHFFFAOYSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(Br)cc(I)c3O)SC2=N)s1	ZINC000409333862	1067052436	/nfs/dbraw/zinc/05/24/36/1067052436.db2.gz	DRVXEBCMZDJQTF-KOELVSQHSA-N	-1	0	536.214	4.591	40	30		KJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(Br)cc(I)c3O)SC2=N)s1	ZINC000409333864	1067052289	/nfs/dbraw/zinc/05/22/89/1067052289.db2.gz	DRVXEBCMZDJQTF-UQQIISASSA-N	-1	0	536.214	4.591	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000409334541	1067051850	/nfs/dbraw/zinc/05/18/50/1067051850.db2.gz	GSIFFOIQPJQVKV-BSWUMJHHSA-N	-1	0	558.419	4.506	40	30		KJEBRM
CCOC(=O)COc1c(I)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000409334543	1067052005	/nfs/dbraw/zinc/05/20/05/1067052005.db2.gz	GSIFFOIQPJQVKV-OFXRGRJRSA-N	-1	0	558.419	4.506	40	30		KJEBRM
CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	ZINC000409334614	1067051741	/nfs/dbraw/zinc/05/17/41/1067051741.db2.gz	LHSJLFXLTBAITD-JAYSWQADSA-N	-1	0	562.047	4.502	40	30		KJEBRM
CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	ZINC000409334616	1067052034	/nfs/dbraw/zinc/05/20/34/1067052034.db2.gz	LHSJLFXLTBAITD-KEQCBNTKSA-N	-1	0	562.047	4.502	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000409335553	1067051007	/nfs/dbraw/zinc/05/10/07/1067051007.db2.gz	JXWGNTTYQVKRGA-BSWUMJHHSA-N	-1	0	511.419	4.664	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000409335555	1067050817	/nfs/dbraw/zinc/05/08/17/1067050817.db2.gz	JXWGNTTYQVKRGA-OFXRGRJRSA-N	-1	0	511.419	4.664	40	30		KJEBRM
N=C1SC(=Cc2cc(Br)cc(I)c2O)C([O-])=C1c1nccs1	ZINC000409335597	1067050891	/nfs/dbraw/zinc/05/08/91/1067050891.db2.gz	KOSYJXJOUWVKQE-OGRJQMIUSA-N	-1	0	507.172	4.634	40	30		KJEBRM
N=C1SC(=Cc2cc(Br)cc(I)c2O)C([O-])=C1c1nccs1	ZINC000409335598	1067051125	/nfs/dbraw/zinc/05/11/25/1067051125.db2.gz	KOSYJXJOUWVKQE-WXTNEOGGSA-N	-1	0	507.172	4.634	40	30		KJEBRM
COc1c(I)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1I	ZINC000409335613	1067050786	/nfs/dbraw/zinc/05/07/86/1067050786.db2.gz	KSFHFIKLCJYMKR-HVHWSSCQSA-N	-1	0	568.199	4.779	40	30		KJEBRM
COc1c(I)cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1I	ZINC000409335616	1067051061	/nfs/dbraw/zinc/05/10/61/1067051061.db2.gz	KSFHFIKLCJYMKR-VCPBJOFHSA-N	-1	0	568.199	4.779	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC000409335917	1066359457	/nfs/dbraw/zinc/35/94/57/1066359457.db2.gz	QHHOOIYCJSOZRA-CYBMUJFWSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC000409335919	1067050457	/nfs/dbraw/zinc/05/04/57/1067050457.db2.gz	QHHOOIYCJSOZRA-ZDUSSCGKSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)[O-])c(Br)c1	ZINC000409335973	1067050496	/nfs/dbraw/zinc/05/04/96/1067050496.db2.gz	ZKECJIBESSJWRQ-UHFFFAOYSA-N	-1	0	602.077	4.982	40	30		KJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OC)c(I)c3)SC2=N)s1	ZINC000409336160	1066359474	/nfs/dbraw/zinc/35/94/74/1066359474.db2.gz	MBANPJZWYDVKFF-MQJKYCSLSA-N	-1	0	597.241	4.736	40	30		KJEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(I)c(OC)c(I)c3)SC2=N)s1	ZINC000409336162	1067050667	/nfs/dbraw/zinc/05/06/67/1067050667.db2.gz	MBANPJZWYDVKFF-REVHEHSNSA-N	-1	0	597.241	4.736	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)[O-])cc1Br	ZINC000409336872	1067056292	/nfs/dbraw/zinc/05/62/92/1067056292.db2.gz	VCVGPFBPXPHPLS-UHFFFAOYSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000409337666	1067063995	/nfs/dbraw/zinc/06/39/95/1067063995.db2.gz	XKZUQWOMAOTDGW-PDGQHHTCSA-N	-1	0	595.411	4.697	40	30		KJEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC(=O)Nc1ccccc1	ZINC000409337670	1067064323	/nfs/dbraw/zinc/06/43/23/1067064323.db2.gz	XQBBWGXUKLCVGQ-BMNGGQDWSA-N	-1	0	508.625	4.935	40	30		KJEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC(=O)Nc1ccccc1	ZINC000409337671	1067064206	/nfs/dbraw/zinc/06/42/06/1067064206.db2.gz	XQBBWGXUKLCVGQ-IAGUEFTLSA-N	-1	0	508.625	4.935	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1OCC	ZINC000409337714	1066359244	/nfs/dbraw/zinc/35/92/44/1066359244.db2.gz	YXUXEMUMWPYEMF-IDJOFDSPSA-N	-1	0	540.461	4.621	40	30		KJEBRM
CCOC(=O)COc1c(Br)cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1OCC	ZINC000409337715	1067064140	/nfs/dbraw/zinc/06/41/40/1067064140.db2.gz	YXUXEMUMWPYEMF-IVXRUOPASA-N	-1	0	540.461	4.621	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1	ZINC000409340959	1067062444	/nfs/dbraw/zinc/06/24/44/1067062444.db2.gz	CQZJUBNUWIHEBO-UHFFFAOYSA-N	-1	0	528.746	4.677	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(Cl)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)cc1	ZINC000409341050	1067062117	/nfs/dbraw/zinc/06/21/17/1067062117.db2.gz	CGWXBLWLVITQOG-UHFFFAOYSA-N	-1	0	528.746	4.677	40	30		KJEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409344401	1067058726	/nfs/dbraw/zinc/05/87/26/1067058726.db2.gz	GSQMUJQQHMAXIX-UHFFFAOYSA-N	-1	0	603.223	4.795	40	30		KJEBRM
COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCc1ccccc1C#N	ZINC000409349869	1067072790	/nfs/dbraw/zinc/07/27/90/1067072790.db2.gz	WJDISWKAAPYHPT-MTJSOVHGSA-N	-1	0	507.618	4.754	40	30		KJEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000409352357	1067070380	/nfs/dbraw/zinc/07/03/80/1067070380.db2.gz	ZRMUVXYSYUCAJQ-UHFFFAOYSA-N	-1	0	603.223	4.795	40	30		KJEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409354497	1067067768	/nfs/dbraw/zinc/06/77/68/1067067768.db2.gz	GOASWFFLOQFSRV-UHFFFAOYSA-N	-1	0	558.772	4.686	40	30		KJEBRM
O=C([O-])c1cccc(COc2c(Br)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)c1	ZINC000409355275	1067067078	/nfs/dbraw/zinc/06/70/78/1067067078.db2.gz	BWBVWOQLTZDZNW-UHFFFAOYSA-N	-1	0	573.197	4.787	40	30		KJEBRM
O=C([O-])c1cccc(COc2c(Cl)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)c1	ZINC000409357519	1066362970	/nfs/dbraw/zinc/36/29/70/1066362970.db2.gz	JOIMWIJASQZFQC-UHFFFAOYSA-N	-1	0	528.746	4.677	40	30		KJEBRM
O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2C=Nn2c(=O)[nH]c3ccccc3c2=O)c1	ZINC000409357822	1067074870	/nfs/dbraw/zinc/07/48/70/1067074870.db2.gz	KEJDRVLOXHUFHE-UHFFFAOYSA-N	-1	0	528.746	4.677	40	30		KJEBRM
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCc2cccc(C(=O)[O-])c2)cc1	ZINC000409360602	1067082247	/nfs/dbraw/zinc/08/22/47/1067082247.db2.gz	BDGIYNVTWSZSBR-UHFFFAOYSA-N	-1	0	508.534	4.669	40	30		KJEBRM
O=C([O-])c1ccc(COc2c(Br)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)cc2Br)cc1	ZINC000409361300	1067081634	/nfs/dbraw/zinc/08/16/34/1067081634.db2.gz	REEOKTYGZNYCFE-UHFFFAOYSA-N	-1	0	573.197	4.787	40	30		KJEBRM
COc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409364795	1067078336	/nfs/dbraw/zinc/07/83/36/1067078336.db2.gz	LUTSVCMDLUBFLW-UHFFFAOYSA-N	-1	0	558.772	4.686	40	30		KJEBRM
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409366199	1067076706	/nfs/dbraw/zinc/07/67/06/1067076706.db2.gz	ZSNDPHMGRPMNJD-UHFFFAOYSA-N	-1	0	508.534	4.669	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1	ZINC000409370973	1067089556	/nfs/dbraw/zinc/08/95/56/1067089556.db2.gz	AXQNDXQFIBCQRM-LPYMAVHISA-N	-1	0	506.942	4.911	40	30		KJEBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000409370984	1067090241	/nfs/dbraw/zinc/09/02/41/1067090241.db2.gz	BJCIGXBYUIOFST-JFLMPSFJSA-N	-1	0	520.545	4.800	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccccc1C#N	ZINC000409371136	1067089429	/nfs/dbraw/zinc/08/94/29/1067089429.db2.gz	BCNMYBLDBHTPTP-ZVHZXABRSA-N	-1	0	511.534	4.519	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccccc1Cl	ZINC000409371155	1067089354	/nfs/dbraw/zinc/08/93/54/1067089354.db2.gz	BHISROZJFINVGU-FYJGNVAPSA-N	-1	0	506.942	4.911	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000409373356	1067088217	/nfs/dbraw/zinc/08/82/17/1067088217.db2.gz	HSYTXGBHXPUNSR-KEBDBYFISA-N	-1	0	550.365	4.553	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccccc1F	ZINC000409374348	1067087377	/nfs/dbraw/zinc/08/73/77/1067087377.db2.gz	NDROOXPDAHJQQL-HYARGMPZSA-N	-1	0	504.514	4.787	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(F)cc1	ZINC000409374423	1067087435	/nfs/dbraw/zinc/08/74/35/1067087435.db2.gz	PECVPXWYMGFCIR-OEAKJJBVSA-N	-1	0	504.514	4.787	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409374521	1067087145	/nfs/dbraw/zinc/08/71/45/1067087145.db2.gz	RTUSANBNDKXAFB-OEAKJJBVSA-N	-1	0	531.521	4.556	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000409374554	1067087543	/nfs/dbraw/zinc/08/75/43/1067087543.db2.gz	SVBJOUNMIGKUTA-KEBDBYFISA-N	-1	0	550.365	4.553	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccc(C)cc1	ZINC000409374564	1067087109	/nfs/dbraw/zinc/08/71/09/1067087109.db2.gz	TYQAWLZEFIKLHU-BUVRLJJBSA-N	-1	0	500.551	4.956	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(I)cc1	ZINC000409374627	1066364411	/nfs/dbraw/zinc/36/44/11/1066364411.db2.gz	VIVWEZIXKRFOLE-LPYMAVHISA-N	-1	0	598.393	4.862	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409374670	1067087261	/nfs/dbraw/zinc/08/72/61/1067087261.db2.gz	WEOSWDMYINCLLG-OEAKJJBVSA-N	-1	0	531.521	4.556	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1cccc(C)c1	ZINC000409374702	1066364495	/nfs/dbraw/zinc/36/44/95/1066364495.db2.gz	XDFKIRJJVAYKEX-BUVRLJJBSA-N	-1	0	500.551	4.956	40	30		KJEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1cccc(F)c1	ZINC000409374802	1067086916	/nfs/dbraw/zinc/08/69/16/1067086916.db2.gz	ZQUUNEQIFHZHKC-OEAKJJBVSA-N	-1	0	504.514	4.787	40	30		KJEBRM
C=CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	ZINC000409375324	1067086158	/nfs/dbraw/zinc/08/61/58/1067086158.db2.gz	JCWZQQFEVUKTFC-LDADJPATSA-N	-1	0	515.429	4.806	40	30		KJEBRM
C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	ZINC000409376191	1067085805	/nfs/dbraw/zinc/08/58/05/1067085805.db2.gz	VQURVUVBTJVITH-LDADJPATSA-N	-1	0	515.429	4.806	40	30		KJEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1C#N	ZINC000409378998	1067091484	/nfs/dbraw/zinc/09/14/84/1067091484.db2.gz	UBXLDCAOIKWLRM-BUVRLJJBSA-N	-1	0	511.603	4.930	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1I	ZINC000409383432	1067097758	/nfs/dbraw/zinc/09/77/58/1067097758.db2.gz	VAJRGMDIJFHLQX-MHWRWJLKSA-N	-1	0	644.272	4.854	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409385404	1067095347	/nfs/dbraw/zinc/09/53/47/1067095347.db2.gz	KYJZCKZTCTZAIM-BOJSJVFISA-N	-1	0	577.659	4.892	40	30		KJEBRM
COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=Nc1ccc(OC)cc1	ZINC000409385419	1067095857	/nfs/dbraw/zinc/09/58/57/1067095857.db2.gz	LKUFSHNADUZILH-NLIPKUAKSA-N	-1	0	538.578	4.824	40	30		KJEBRM
COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)SC1=Nc1ccccc1	ZINC000409385520	1067095659	/nfs/dbraw/zinc/09/56/59/1067095659.db2.gz	MUSUPIOVYFDWAX-VRXUDNSFSA-N	-1	0	508.552	4.816	40	30		KJEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1[N+](=O)[O-]	ZINC000409386224	1066207836	/nfs/dbraw/zinc/20/78/36/1066207836.db2.gz	DLNCIDGERLZKLQ-ZZXKWVIFSA-N	-1	0	501.249	4.815	40	30		KJEBRM
NC(=O)Cn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409386630	1067094659	/nfs/dbraw/zinc/09/46/59/1067094659.db2.gz	VYSNYANKZCXLPV-AKJIXFPRSA-N	-1	0	510.575	4.629	40	30		KJEBRM
COc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409387085	1067094010	/nfs/dbraw/zinc/09/40/10/1067094010.db2.gz	ZJLWCWNIYODKNT-CJUPBPKFSA-N	-1	0	549.605	4.636	40	30		KJEBRM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	ZINC000409387106	1067093808	/nfs/dbraw/zinc/09/38/08/1067093808.db2.gz	NSEJGDQAFCBHOF-LDADJPATSA-N	-1	0	562.429	4.648	40	30		KJEBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000409390429	1067106915	/nfs/dbraw/zinc/10/69/15/1067106915.db2.gz	FIKUFCMCCMIHDP-JVWAILMASA-N	-1	0	517.545	4.606	40	30		KJEBRM
C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1	ZINC000409398760	1067116884	/nfs/dbraw/zinc/11/68/84/1067116884.db2.gz	GKFWPJHXTWJNQL-UCQKPKSFSA-N	-1	0	560.559	4.564	40	30		KJEBRM
N#Cc1ccccc1COc1c(I)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000409399601	1067114562	/nfs/dbraw/zinc/11/45/62/1067114562.db2.gz	KHSFRYRFLPFVHG-GRSHGNNSSA-N	-1	0	647.210	4.808	40	30		KJEBRM
C=CCOc1c(Br)c(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC	ZINC000409400133	1067112711	/nfs/dbraw/zinc/11/27/11/1067112711.db2.gz	PEPRSGNKMXKSID-PTNGSMBKSA-N	-1	0	522.193	4.637	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409400611	1067112079	/nfs/dbraw/zinc/11/20/79/1067112079.db2.gz	ACCINFVIQBSSKN-HNNXBMFYSA-N	-1	0	522.355	4.569	40	30		KJEBRM
COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1O[C@H](C)C(=O)[O-]	ZINC000409400613	1067111958	/nfs/dbraw/zinc/11/19/58/1067111958.db2.gz	ACCINFVIQBSSKN-OAHLLOKOSA-N	-1	0	522.355	4.569	40	30		KJEBRM
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(I)c([O-])c(I)c1	ZINC000409401148	1067126877	/nfs/dbraw/zinc/12/68/77/1067126877.db2.gz	CHSQIYGPXWSXOH-UHFFFAOYSA-N	-1	0	593.162	4.861	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409401563	1067126026	/nfs/dbraw/zinc/12/60/26/1067126026.db2.gz	DGWFGTSRXSQMKQ-HNNXBMFYSA-N	-1	0	522.355	4.569	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409401566	1066368473	/nfs/dbraw/zinc/36/84/73/1066368473.db2.gz	DGWFGTSRXSQMKQ-OAHLLOKOSA-N	-1	0	522.355	4.569	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCC(=O)[O-]	ZINC000409401685	1067126887	/nfs/dbraw/zinc/12/68/87/1067126887.db2.gz	FAIQOOFKQSKAHE-UHFFFAOYSA-N	-1	0	522.355	4.570	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)[O-]	ZINC000409402165	1066368627	/nfs/dbraw/zinc/36/86/27/1066368627.db2.gz	GRMMKQXPEHCFND-UHFFFAOYSA-N	-1	0	542.773	4.834	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409402166	1067125468	/nfs/dbraw/zinc/12/54/68/1067125468.db2.gz	GSZCKNSVEUKKFU-HNNXBMFYSA-N	-1	0	522.355	4.569	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409402168	1067125459	/nfs/dbraw/zinc/12/54/59/1067125459.db2.gz	GSZCKNSVEUKKFU-OAHLLOKOSA-N	-1	0	522.355	4.569	40	30		KJEBRM
C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409402609	1067124689	/nfs/dbraw/zinc/12/46/89/1067124689.db2.gz	XHUMNVFAKSUPJG-UCQKPKSFSA-N	-1	0	560.559	4.564	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC000409403040	1066368995	/nfs/dbraw/zinc/36/89/95/1066368995.db2.gz	KJASLGIKJSUEMA-INIZCTEOSA-N	-1	0	583.382	4.801	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC000409403041	1067123962	/nfs/dbraw/zinc/12/39/62/1067123962.db2.gz	KJASLGIKJSUEMA-MRXNPFEDSA-N	-1	0	583.382	4.801	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409403549	1067123573	/nfs/dbraw/zinc/12/35/73/1067123573.db2.gz	MQWILIUVYBQQNY-INIZCTEOSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409403552	1067123552	/nfs/dbraw/zinc/12/35/52/1067123552.db2.gz	MQWILIUVYBQQNY-MRXNPFEDSA-N	-1	0	536.382	4.959	40	30		KJEBRM
O=C([O-])COc1c(I)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1I	ZINC000409403599	1067123526	/nfs/dbraw/zinc/12/35/26/1067123526.db2.gz	MWAGIEURYLEPIF-UHFFFAOYSA-N	-1	0	651.198	4.618	40	30		KJEBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C#N	ZINC000409404545	1067122256	/nfs/dbraw/zinc/12/22/56/1067122256.db2.gz	DPYJFDAXAXUREK-MTJSOVHGSA-N	-1	0	518.367	4.760	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000409404637	1067121801	/nfs/dbraw/zinc/12/18/01/1067121801.db2.gz	QKMAMHIUYUWKNN-INIZCTEOSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000409404640	1067122206	/nfs/dbraw/zinc/12/22/06/1067122206.db2.gz	QKMAMHIUYUWKNN-MRXNPFEDSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCC(=O)[O-]	ZINC000409405269	1067121793	/nfs/dbraw/zinc/12/17/93/1067121793.db2.gz	SWFZUDRITHUHEV-UHFFFAOYSA-N	-1	0	522.355	4.570	40	30		KJEBRM
O=C([O-])COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br	ZINC000409406192	1067120419	/nfs/dbraw/zinc/12/04/19/1067120419.db2.gz	WMOSJGZOFKVULI-UHFFFAOYSA-N	-1	0	512.747	4.825	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br	ZINC000409406698	1067119691	/nfs/dbraw/zinc/11/96/91/1067119691.db2.gz	YGZQPXHJUDPRDS-UHFFFAOYSA-N	-1	0	557.198	4.934	40	30		KJEBRM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)[O-]	ZINC000409406782	1067119964	/nfs/dbraw/zinc/11/99/64/1067119964.db2.gz	YVTDSZQDYFSPHZ-UHFFFAOYSA-N	-1	0	587.224	4.943	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409407217	1067118883	/nfs/dbraw/zinc/11/88/83/1067118883.db2.gz	LUUGNGPHRUSSQT-HAHDFKILSA-N	-1	0	517.969	4.556	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409407341	1067137647	/nfs/dbraw/zinc/13/76/47/1067137647.db2.gz	MIHCBAFXOUYYER-UQQQWYQISA-N	-1	0	511.578	4.601	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1	ZINC000409408690	1067136036	/nfs/dbraw/zinc/13/60/36/1067136036.db2.gz	ZBMQXGQDRAHZIF-UHFFFAOYSA-N	-1	0	512.747	4.825	40	30		KJEBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1C#N	ZINC000409408907	1067135492	/nfs/dbraw/zinc/13/54/92/1067135492.db2.gz	SBDOAIYOOJDLKI-MTJSOVHGSA-N	-1	0	565.367	4.602	40	30		KJEBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)Nc1ccccc1C	ZINC000409409489	1067135011	/nfs/dbraw/zinc/13/50/11/1067135011.db2.gz	VQCDKYHZWVNXPO-ULJHMMPZSA-N	-1	0	511.578	4.601	40	30		KJEBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1C#N	ZINC000409410133	1067133633	/nfs/dbraw/zinc/13/36/33/1067133633.db2.gz	ZFSYMGPFYARHRK-MTJSOVHGSA-N	-1	0	518.367	4.760	40	30		KJEBRM
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=[N+]=Nc1ccc(-c2ccc(NNc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)[O-])c2)cc1	ZINC000409415833	1067128774	/nfs/dbraw/zinc/12/87/74/1067128774.db2.gz	HXVMYSQLSPLWNW-UHFFFAOYSA-O	-1	0	789.850	4.989	40	30		KJEBRM
Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N=C4C=CC(=S(=O)([O-])NC5CCCCC5)C=C4)n3c2c1	ZINC000409415950	1066370581	/nfs/dbraw/zinc/37/05/81/1066370581.db2.gz	YJTJQGKHAULQAY-UHFFFAOYSA-N	-1	0	537.711	4.761	40	30		KJEBRM
Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N=C3C=CC(=S(=O)([O-])N4CCCC[C@@H]4C)C=C3)nnc12	ZINC000409415958	1067128749	/nfs/dbraw/zinc/12/87/49/1067128749.db2.gz	IKZOHJUNECYPGW-FQEVSTJZSA-N	-1	0	537.711	4.713	40	30		KJEBRM
Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)N=C3C=CC(=S(=O)([O-])N4CCCC[C@H]4C)C=C3)nnc12	ZINC000409415959	1067128848	/nfs/dbraw/zinc/12/88/48/1067128848.db2.gz	IKZOHJUNECYPGW-HXUWFJFHSA-N	-1	0	537.711	4.713	40	30		KJEBRM
O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccco1)N=C1C=CC(=S(=O)([O-])N2CCCC2)C=C1	ZINC000409416015	1067128855	/nfs/dbraw/zinc/12/88/55/1067128855.db2.gz	GALAERPMEGVYFO-UHFFFAOYSA-N	-1	0	557.097	4.971	40	30		KJEBRM
CC[C@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2nnc3c(C)cc4cc(OC)c(OC)cc4n23)C=C1	ZINC000409416042	1067128122	/nfs/dbraw/zinc/12/81/22/1067128122.db2.gz	RULGDHBMXRDIBP-NRFANRHFSA-N	-1	0	583.736	4.503	40	30		KJEBRM
CC[C@@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2nnc3c(C)cc4cc(OC)c(OC)cc4n23)C=C1	ZINC000409416046	1067128111	/nfs/dbraw/zinc/12/81/11/1067128111.db2.gz	RULGDHBMXRDIBP-OAQYLSRUSA-N	-1	0	583.736	4.503	40	30		KJEBRM
CC[C@@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2ncnc3sc4c(c32)CCCC4)C=C1	ZINC000409416049	1067128310	/nfs/dbraw/zinc/12/83/10/1067128310.db2.gz	XZPDHWYNMURXQB-GOSISDBHSA-N	-1	0	530.741	4.865	40	30		KJEBRM
CC[C@H]1CCCCN1S(=O)([O-])=C1C=CC(=NC(=O)CSc2ncnc3sc4c(c32)CCCC4)C=C1	ZINC000409416052	1067128662	/nfs/dbraw/zinc/12/86/62/1067128662.db2.gz	XZPDHWYNMURXQB-SFHVURJKSA-N	-1	0	530.741	4.865	40	30		KJEBRM
O=C(N=C1C=CC(=S(=O)([O-])N2CCOCC2)C=C1)c1ccc(CSc2ccc(Cl)cc2)cc1	ZINC000409416085	1067128810	/nfs/dbraw/zinc/12/88/10/1067128810.db2.gz	JCRISAPQVVSKBK-UHFFFAOYSA-N	-1	0	503.045	4.517	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(=O)[O-])c(Br)c1	ZINC001531092076	1067172613	/nfs/dbraw/zinc/17/26/13/1067172613.db2.gz	OHPPDNIKBWAZPY-VROXFSQNSA-N	-1	0	537.208	4.565	40	30		KJEBRM
CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCc1cccc(C(=O)[O-])c1	ZINC001531093942	1067172536	/nfs/dbraw/zinc/17/25/36/1067172536.db2.gz	AJLNNTZRPPSHKD-CCVNUDIWSA-N	-1	0	536.382	4.889	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)[O-]	ZINC001531099557	1067173214	/nfs/dbraw/zinc/17/32/14/1067173214.db2.gz	ACTLNDTVOUYKKW-RAWMCFOBSA-N	-1	0	581.261	4.963	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)[O-]	ZINC001531100049	1067173239	/nfs/dbraw/zinc/17/32/39/1067173239.db2.gz	ZAFQPWMAFAQTCI-MRUKODCESA-N	-1	0	567.234	4.573	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531101515	1067173019	/nfs/dbraw/zinc/17/30/19/1067173019.db2.gz	DZZKXTCMIMOQLQ-ASBHVJNYSA-N	-1	0	516.392	4.589	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1O[C@H](C)C(=O)[O-]	ZINC001531101516	1067173082	/nfs/dbraw/zinc/17/30/82/1067173082.db2.gz	DZZKXTCMIMOQLQ-CWYRIDLXSA-N	-1	0	516.392	4.589	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC001531109968	1067173812	/nfs/dbraw/zinc/17/38/12/1067173812.db2.gz	SJNCUICXFNJHQP-AFPJDJCSSA-N	-1	0	524.169	4.715	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(=O)[O-]	ZINC001531114758	1067173827	/nfs/dbraw/zinc/17/38/27/1067173827.db2.gz	HPKUUJXRDSLIIK-RAWMCFOBSA-N	-1	0	536.810	4.854	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(=O)[O-]	ZINC001531123986	1067173765	/nfs/dbraw/zinc/17/37/65/1067173765.db2.gz	YUDSVSYXPBXTNS-RAWMCFOBSA-N	-1	0	581.261	4.963	40	30		KJEBRM
C[C@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-]	ZINC001531128416	1067174132	/nfs/dbraw/zinc/17/41/32/1067174132.db2.gz	OBTLDQLWOMSSLH-PFIBVJERSA-N	-1	0	551.235	4.953	40	30		KJEBRM
C[C@@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br)C(=O)[O-]	ZINC001531128419	1067174264	/nfs/dbraw/zinc/17/42/64/1067174264.db2.gz	OBTLDQLWOMSSLH-UNBWZSTCSA-N	-1	0	551.235	4.953	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1c(OCC(=O)[O-])ccc2ccccc21	ZINC001531131366	1067174121	/nfs/dbraw/zinc/17/41/21/1067174121.db2.gz	VKYIUPDHOKHUCQ-WKIKZPBSSA-N	-1	0	508.372	4.955	40	30		KJEBRM
COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@H](C)C(=O)[O-]	ZINC001531131585	1067174222	/nfs/dbraw/zinc/17/42/22/1067174222.db2.gz	HUAOOEXUNLMVBX-KKVYMNCZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC001531131586	1067174257	/nfs/dbraw/zinc/17/42/57/1067174257.db2.gz	HUAOOEXUNLMVBX-NPINNAPPSA-N	-1	0	581.261	4.962	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC001531131603	1067174208	/nfs/dbraw/zinc/17/42/08/1067174208.db2.gz	UHFKTYVSLWJFQN-AFPJDJCSSA-N	-1	0	524.169	4.715	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC001531131608	1067174235	/nfs/dbraw/zinc/17/42/35/1067174235.db2.gz	XIQVHPYLYLYABB-KKVYMNCZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC001531131609	1067174191	/nfs/dbraw/zinc/17/41/91/1067174191.db2.gz	XIQVHPYLYLYABB-NPINNAPPSA-N	-1	0	581.261	4.962	40	30		KJEBRM
C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OCC)c1OCC(=O)[O-]	ZINC001531136148	1067174952	/nfs/dbraw/zinc/17/49/52/1067174952.db2.gz	VLEPXEAKBZQERX-MUXKCCDJSA-N	-1	0	542.430	4.929	40	30		KJEBRM
C[C@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-]	ZINC001531142701	1067174940	/nfs/dbraw/zinc/17/49/40/1067174940.db2.gz	RMKFIWULEIBFNW-PFIBVJERSA-N	-1	0	598.235	4.795	40	30		KJEBRM
C[C@@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1I)C(=O)[O-]	ZINC001531142704	1067174921	/nfs/dbraw/zinc/17/49/21/1067174921.db2.gz	RMKFIWULEIBFNW-UNBWZSTCSA-N	-1	0	598.235	4.795	40	30		KJEBRM
C[C@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-]	ZINC001531157070	1067174943	/nfs/dbraw/zinc/17/49/43/1067174943.db2.gz	KGTUBAOHDXQWSQ-PFIBVJERSA-N	-1	0	506.784	4.844	40	30		KJEBRM
C[C@@H](Oc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Cl)C(=O)[O-]	ZINC001531157071	1067174883	/nfs/dbraw/zinc/17/48/83/1067174883.db2.gz	KGTUBAOHDXQWSQ-UNBWZSTCSA-N	-1	0	506.784	4.844	40	30		KJEBRM
C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)[O-]	ZINC001531157147	1067175414	/nfs/dbraw/zinc/17/54/14/1067175414.db2.gz	YXEHZCNZIRVNCZ-WKIKZPBSSA-N	-1	0	528.403	4.539	40	30		KJEBRM
C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531161796	1067175408	/nfs/dbraw/zinc/17/54/08/1067175408.db2.gz	FGSPAJYFULWOFJ-FINFLEPTSA-N	-1	0	542.430	4.928	40	30		KJEBRM
C=CCc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531161798	1067175509	/nfs/dbraw/zinc/17/55/09/1067175509.db2.gz	FGSPAJYFULWOFJ-JFWRLORLSA-N	-1	0	542.430	4.928	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC001531161993	1067175421	/nfs/dbraw/zinc/17/54/21/1067175421.db2.gz	PELOTWASQVLYMA-BTQGWNRHSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC001531161997	1067175466	/nfs/dbraw/zinc/17/54/66/1067175466.db2.gz	PELOTWASQVLYMA-JBBSTVMTSA-N	-1	0	522.783	4.508	40	30		KJEBRM
C[C@H](Oc1ccc(Br)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC001531173911	1067176082	/nfs/dbraw/zinc/17/60/82/1067176082.db2.gz	OAQBJVHMIDNILF-PFIBVJERSA-N	-1	0	551.235	4.953	40	30		KJEBRM
C[C@@H](Oc1ccc(Br)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC001531173913	1067176748	/nfs/dbraw/zinc/17/67/48/1067176748.db2.gz	OAQBJVHMIDNILF-UNBWZSTCSA-N	-1	0	551.235	4.953	40	30		KJEBRM
COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@H](C)C(=O)[O-]	ZINC001531174000	1067176718	/nfs/dbraw/zinc/17/67/18/1067176718.db2.gz	VYFAUBFJJMKHIY-KKVYMNCZSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1O[C@@H](C)C(=O)[O-]	ZINC001531174002	1067176554	/nfs/dbraw/zinc/17/65/54/1067176554.db2.gz	VYFAUBFJJMKHIY-NPINNAPPSA-N	-1	0	536.810	4.853	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC001531177727	1067176708	/nfs/dbraw/zinc/17/67/08/1067176708.db2.gz	ASNFQLGDCBOQPJ-BTQGWNRHSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC001531177736	1067176510	/nfs/dbraw/zinc/17/65/10/1067176510.db2.gz	ASNFQLGDCBOQPJ-JBBSTVMTSA-N	-1	0	567.234	4.617	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC001531180307	1067176673	/nfs/dbraw/zinc/17/66/73/1067176673.db2.gz	ZKHCBCVSJHORPF-KKVYMNCZSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC001531180308	1067176562	/nfs/dbraw/zinc/17/65/62/1067176562.db2.gz	ZKHCBCVSJHORPF-NPINNAPPSA-N	-1	0	536.810	4.853	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(=O)[O-]	ZINC001531192341	1067177122	/nfs/dbraw/zinc/17/71/22/1067177122.db2.gz	FBMJWIMHCFAPFK-MRUKODCESA-N	-1	0	567.234	4.573	40	30		KJEBRM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)ccc1OCC(=O)[O-]	ZINC001531202034	1067177839	/nfs/dbraw/zinc/17/78/39/1067177839.db2.gz	QSANHRJBOLZMSH-VROXFSQNSA-N	-1	0	537.208	4.565	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC001531203827	1067177786	/nfs/dbraw/zinc/17/77/86/1067177786.db2.gz	SOAPXQVKIADDAE-KKVYMNCZSA-N	-1	0	581.261	4.962	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC001531203831	1067177736	/nfs/dbraw/zinc/17/77/36/1067177736.db2.gz	SOAPXQVKIADDAE-NPINNAPPSA-N	-1	0	581.261	4.962	40	30		KJEBRM
CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(=O)[O-]	ZINC001531208173	1067177829	/nfs/dbraw/zinc/17/78/29/1067177829.db2.gz	GWZMAZRWXMCBEP-RAWMCFOBSA-N	-1	0	628.261	4.805	40	30		KJEBRM
COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(=O)[O-]	ZINC001531214948	1067178233	/nfs/dbraw/zinc/17/82/33/1067178233.db2.gz	HBCDAYOBOFMMFQ-MRUKODCESA-N	-1	0	567.234	4.573	40	30		KJEBRM
C[C@@H](Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531215937	1067178335	/nfs/dbraw/zinc/17/83/35/1067178335.db2.gz	BOJPCOQYHYZNCP-DSJWRSODSA-N	-1	0	596.232	4.861	40	30		KJEBRM
C[C@H](Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531215938	1067178248	/nfs/dbraw/zinc/17/82/48/1067178248.db2.gz	BOJPCOQYHYZNCP-FMZGJFEVSA-N	-1	0	596.232	4.861	40	30		KJEBRM
C[C@@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531215946	1067179025	/nfs/dbraw/zinc/17/90/25/1067179025.db2.gz	DWBZRTPGFMPKMR-DSJWRSODSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@H](Oc1c(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531215947	1067179117	/nfs/dbraw/zinc/17/91/17/1067179117.db2.gz	DWBZRTPGFMPKMR-FMZGJFEVSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@@H](Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531216032	1067179014	/nfs/dbraw/zinc/17/90/14/1067179014.db2.gz	VHXMOXLIUSXLID-DSJWRSODSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@H](Oc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531216034	1067179121	/nfs/dbraw/zinc/17/91/21/1067179121.db2.gz	VHXMOXLIUSXLID-FMZGJFEVSA-N	-1	0	551.781	4.752	40	30		KJEBRM
C[C@@H](Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531219118	1067179065	/nfs/dbraw/zinc/17/90/65/1067179065.db2.gz	GPHMWLHXPDFJEL-DSJWRSODSA-N	-1	0	596.232	4.861	40	30		KJEBRM
C[C@H](Oc1c(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001531219119	1067179109	/nfs/dbraw/zinc/17/91/09/1067179109.db2.gz	GPHMWLHXPDFJEL-FMZGJFEVSA-N	-1	0	596.232	4.861	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC001531219164	1067179113	/nfs/dbraw/zinc/17/91/13/1067179113.db2.gz	VHRVNEQINLEZBS-KKVYMNCZSA-N	-1	0	628.261	4.804	40	30		KJEBRM
COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC001531219167	1067179124	/nfs/dbraw/zinc/17/91/24/1067179124.db2.gz	VHRVNEQINLEZBS-NPINNAPPSA-N	-1	0	628.261	4.804	40	30		KJEBRM
C[C@H](Oc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC001531224043	1067179071	/nfs/dbraw/zinc/17/90/71/1067179071.db2.gz	PKSANRQDQUREIC-PFIBVJERSA-N	-1	0	506.784	4.844	40	30		KJEBRM
C[C@@H](Oc1ccc(Cl)cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C)C(=O)[O-]	ZINC001531224044	1067179092	/nfs/dbraw/zinc/17/90/92/1067179092.db2.gz	PKSANRQDQUREIC-UNBWZSTCSA-N	-1	0	506.784	4.844	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC001531225230	1067179433	/nfs/dbraw/zinc/17/94/33/1067179433.db2.gz	YJCBJGGHCHENIM-FAJRRQPCSA-N	-1	0	524.169	4.931	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC001531225231	1067179455	/nfs/dbraw/zinc/17/94/55/1067179455.db2.gz	YJCBJGGHCHENIM-VQGIZBIESA-N	-1	0	524.169	4.931	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)[O-])cc1Br	ZINC001531226819	1067179490	/nfs/dbraw/zinc/17/94/90/1067179490.db2.gz	FTXQORCFJACQQX-BTQGWNRHSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)[O-])cc1Br	ZINC001531226820	1067179443	/nfs/dbraw/zinc/17/94/43/1067179443.db2.gz	FTXQORCFJACQQX-JBBSTVMTSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531226838	1067179495	/nfs/dbraw/zinc/17/94/95/1067179495.db2.gz	IDQIMUGNFHUGTC-BTQGWNRHSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531226839	1067179442	/nfs/dbraw/zinc/17/94/42/1067179442.db2.gz	IDQIMUGNFHUGTC-JBBSTVMTSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC001531226854	1067179429	/nfs/dbraw/zinc/17/94/29/1067179429.db2.gz	KSFRCQTZXYRSJI-LPUHGPTISA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC001531226855	1067179471	/nfs/dbraw/zinc/17/94/71/1067179471.db2.gz	KSFRCQTZXYRSJI-LUKCILAXSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC001531227075	1067179448	/nfs/dbraw/zinc/17/94/48/1067179448.db2.gz	NGGPQXQFNDUVSK-LPUHGPTISA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC001531227077	1067179452	/nfs/dbraw/zinc/17/94/52/1067179452.db2.gz	NGGPQXQFNDUVSK-LUKCILAXSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(OC)c1	ZINC001531227125	1067179481	/nfs/dbraw/zinc/17/94/81/1067179481.db2.gz	SEFAEPKPJFHFQG-LPUHGPTISA-N	-1	0	614.234	4.631	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(OC)c1	ZINC001531227126	1067179463	/nfs/dbraw/zinc/17/94/63/1067179463.db2.gz	SEFAEPKPJFHFQG-LUKCILAXSA-N	-1	0	614.234	4.631	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC001531230279	1067180230	/nfs/dbraw/zinc/18/02/30/1067180230.db2.gz	QKRKFCKGQDJJLF-OPEKNORGSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC001531230481	1067180210	/nfs/dbraw/zinc/18/02/10/1067180210.db2.gz	VXSWHQYSCROTQL-CJCQAYSXSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC001531230484	1067180167	/nfs/dbraw/zinc/18/01/67/1067180167.db2.gz	VXSWHQYSCROTQL-XIXVAHAYSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1	ZINC001531231405	1067180275	/nfs/dbraw/zinc/18/02/75/1067180275.db2.gz	IFQYOJHRIHQGEO-PGGKNCGUSA-N	-1	0	513.175	4.764	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)[O-]	ZINC001531231507	1067180133	/nfs/dbraw/zinc/18/01/33/1067180133.db2.gz	LBVMOOGROWRDHP-CJCQAYSXSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531231509	1067180191	/nfs/dbraw/zinc/18/01/91/1067180191.db2.gz	LBVMOOGROWRDHP-XIXVAHAYSA-N	-1	0	551.235	4.998	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC001531234027	1067180634	/nfs/dbraw/zinc/18/06/34/1067180634.db2.gz	DDKOLNJBMXQDGP-SUZBBLJPSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC001531234030	1067180626	/nfs/dbraw/zinc/18/06/26/1067180626.db2.gz	DDKOLNJBMXQDGP-UQJRAWQTSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001531235806	1067180616	/nfs/dbraw/zinc/18/06/16/1067180616.db2.gz	ADMDQTIJSLRQKT-OLLYESQCSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001531235807	1067180638	/nfs/dbraw/zinc/18/06/38/1067180638.db2.gz	ADMDQTIJSLRQKT-PTGPUUDJSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(-c2ccc(OCC(=O)[O-])cc2)c1C	ZINC001531236469	1067180632	/nfs/dbraw/zinc/18/06/32/1067180632.db2.gz	XJVBEIYQSVTXEZ-CCVNUDIWSA-N	-1	0	537.414	4.865	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531238391	1067180666	/nfs/dbraw/zinc/18/06/66/1067180666.db2.gz	MUDYDHWWQVSTQX-NIWMEASBSA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1O[C@H](C)C(=O)[O-]	ZINC001531238392	1067180648	/nfs/dbraw/zinc/18/06/48/1067180648.db2.gz	MUDYDHWWQVSTQX-RAJWWHQXSA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@H](C)C(=O)[O-]	ZINC001531238393	1067180607	/nfs/dbraw/zinc/18/06/07/1067180607.db2.gz	MUDYDHWWQVSTQX-WPSVBWTFSA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531238394	1067180629	/nfs/dbraw/zinc/18/06/29/1067180629.db2.gz	MUDYDHWWQVSTQX-ZXMFKWPASA-N	-1	0	516.392	4.805	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@@H](C)C(=O)[O-])ccc2ccccc21	ZINC001531238737	1067181046	/nfs/dbraw/zinc/18/10/46/1067181046.db2.gz	RZRQJRSLQJPKIO-FYDYWCEBSA-N	-1	0	508.372	4.999	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(O[C@H](C)C(=O)[O-])ccc2ccccc21	ZINC001531238738	1067181090	/nfs/dbraw/zinc/18/10/90/1067181090.db2.gz	RZRQJRSLQJPKIO-PJAVDKHJSA-N	-1	0	508.372	4.999	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC001531238912	1067181163	/nfs/dbraw/zinc/18/11/63/1067181163.db2.gz	ZMNIYUCKSKNYSL-OPEKNORGSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Br)c1	ZINC001531242398	1067181000	/nfs/dbraw/zinc/18/10/00/1067181000.db2.gz	HICQQSGHLMKMFN-PGGKNCGUSA-N	-1	0	557.626	4.873	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)[O-]	ZINC001531242585	1067181210	/nfs/dbraw/zinc/18/12/10/1067181210.db2.gz	PRAWLPQAPCXNBU-RWPZCVJISA-N	-1	0	542.430	4.974	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)[O-]	ZINC001531244803	1067181098	/nfs/dbraw/zinc/18/10/98/1067181098.db2.gz	DQNDSXSYUNYKLI-IVWKQIGUSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531244806	1067181057	/nfs/dbraw/zinc/18/10/57/1067181057.db2.gz	DQNDSXSYUNYKLI-ZFILKEQLSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])c(I)c1	ZINC001531245146	1067181670	/nfs/dbraw/zinc/18/16/70/1067181670.db2.gz	QDHFDFMZXFQJLB-LYORIEDSSA-N	-1	0	584.208	4.623	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])c(I)c1	ZINC001531245149	1067181793	/nfs/dbraw/zinc/18/17/93/1067181793.db2.gz	QDHFDFMZXFQJLB-ZCUUTASWSA-N	-1	0	584.208	4.623	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)[O-]	ZINC001531249765	1067182351	/nfs/dbraw/zinc/18/23/51/1067182351.db2.gz	VZPOCGNZWOQZSH-BHGWPJFGSA-N	-1	0	537.208	4.610	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)[O-]	ZINC001531254808	1067182269	/nfs/dbraw/zinc/18/22/69/1067182269.db2.gz	HGRBUVUMYVKKKO-OPEKNORGSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(OC)c1	ZINC001531255096	1067182908	/nfs/dbraw/zinc/18/29/08/1067182908.db2.gz	ZCGULBYQEFMLGM-OPEKNORGSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531255753	1067182939	/nfs/dbraw/zinc/18/29/39/1067182939.db2.gz	LRZYVFAGYUJPIY-JUCPORTRSA-N	-1	0	561.389	4.543	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531255754	1067182986	/nfs/dbraw/zinc/18/29/86/1067182986.db2.gz	LRZYVFAGYUJPIY-WOLHVBPDSA-N	-1	0	561.389	4.543	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(Br)c1OCC(=O)[O-]	ZINC001531255821	1067182958	/nfs/dbraw/zinc/18/29/58/1067182958.db2.gz	RVZQVRZPIXOJHQ-PGGKNCGUSA-N	-1	0	557.626	4.873	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531255944	1067182885	/nfs/dbraw/zinc/18/28/85/1067182885.db2.gz	WQFXTGYSGSZCGB-BPDROILWSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531255945	1067182975	/nfs/dbraw/zinc/18/29/75/1067182975.db2.gz	WQFXTGYSGSZCGB-QPDIMOPTSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)o1	ZINC001531256539	1067183474	/nfs/dbraw/zinc/18/34/74/1067183474.db2.gz	LDIGAAOBBCOIFK-FYDYWCEBSA-N	-1	0	571.453	4.640	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(-c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)o1	ZINC001531256540	1067183522	/nfs/dbraw/zinc/18/35/22/1067183522.db2.gz	LDIGAAOBBCOIFK-PJAVDKHJSA-N	-1	0	571.453	4.640	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])c(Br)c1	ZINC001531258733	1067184013	/nfs/dbraw/zinc/18/40/13/1067184013.db2.gz	MOFFNQWLPKVQFC-LYORIEDSSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])c(Br)c1	ZINC001531258737	1067184001	/nfs/dbraw/zinc/18/40/01/1067184001.db2.gz	MOFFNQWLPKVQFC-ZCUUTASWSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531259254	1067184086	/nfs/dbraw/zinc/18/40/86/1067184086.db2.gz	ZOZNETDWALNJFN-BTQGWNRHSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531259258	1067184007	/nfs/dbraw/zinc/18/40/07/1067184007.db2.gz	ZOZNETDWALNJFN-JBBSTVMTSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(OC)c1	ZINC001531263570	1067184030	/nfs/dbraw/zinc/18/40/30/1067184030.db2.gz	ZQOJQLFKOZMCBD-SUZBBLJPSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(OC)c1	ZINC001531263571	1067183997	/nfs/dbraw/zinc/18/39/97/1067183997.db2.gz	ZQOJQLFKOZMCBD-UQJRAWQTSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC001531264839	1067184659	/nfs/dbraw/zinc/18/46/59/1067184659.db2.gz	KBSZAFCAQHMKSI-LSHDLFTRSA-N	-1	0	524.169	4.760	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-]	ZINC001531268823	1067184715	/nfs/dbraw/zinc/18/47/15/1067184715.db2.gz	DMLPXTHVZYIFAF-NEZLHVBRSA-N	-1	0	542.430	4.973	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-]	ZINC001531268824	1067184694	/nfs/dbraw/zinc/18/46/94/1067184694.db2.gz	DMLPXTHVZYIFAF-SSVJFZKPSA-N	-1	0	542.430	4.973	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC001531268933	1067184734	/nfs/dbraw/zinc/18/47/34/1067184734.db2.gz	NBFGFNCPQRWXOQ-YSURURNPSA-N	-1	0	582.205	4.518	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(I)c1	ZINC001531268958	1067185337	/nfs/dbraw/zinc/18/53/37/1067185337.db2.gz	OUWZBFQVGIPLEL-CJCQAYSXSA-N	-1	0	598.235	4.840	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(I)c1	ZINC001531268961	1067185373	/nfs/dbraw/zinc/18/53/73/1067185373.db2.gz	OUWZBFQVGIPLEL-XIXVAHAYSA-N	-1	0	598.235	4.840	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1	ZINC001531269281	1067185386	/nfs/dbraw/zinc/18/53/86/1067185386.db2.gz	VQAUUEQHPSJLGF-CJCQAYSXSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1	ZINC001531269283	1067185330	/nfs/dbraw/zinc/18/53/30/1067185330.db2.gz	VQAUUEQHPSJLGF-XIXVAHAYSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531269817	1067185824	/nfs/dbraw/zinc/18/58/24/1067185824.db2.gz	LSLQIWYWTNYEET-BPDROILWSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531269818	1067185955	/nfs/dbraw/zinc/18/59/55/1067185955.db2.gz	LSLQIWYWTNYEET-QPDIMOPTSA-N	-1	0	582.205	4.516	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001531270000	1067185939	/nfs/dbraw/zinc/18/59/39/1067185939.db2.gz	SNORCHKCLVEDGN-YSURURNPSA-N	-1	0	582.205	4.518	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531270194	1067185927	/nfs/dbraw/zinc/18/59/27/1067185927.db2.gz	YWVGITYRPQHETM-NEZLHVBRSA-N	-1	0	542.430	4.973	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531270197	1067185972	/nfs/dbraw/zinc/18/59/72/1067185972.db2.gz	YWVGITYRPQHETM-SSVJFZKPSA-N	-1	0	542.430	4.973	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)[O-]	ZINC001531278172	1067186482	/nfs/dbraw/zinc/18/64/82/1067186482.db2.gz	SSQHFCMOWFFDHU-LYORIEDSSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)[O-]	ZINC001531278173	1067186512	/nfs/dbraw/zinc/18/65/12/1067186512.db2.gz	SSQHFCMOWFFDHU-ZCUUTASWSA-N	-1	0	537.208	4.781	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC001531278261	1067186988	/nfs/dbraw/zinc/18/69/88/1067186988.db2.gz	ZOKVRNDZNUBMEN-OLLYESQCSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC001531278262	1067187060	/nfs/dbraw/zinc/18/70/60/1067187060.db2.gz	ZOKVRNDZNUBMEN-PTGPUUDJSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Br)c1Br	ZINC001531285029	1067187099	/nfs/dbraw/zinc/18/70/99/1067187099.db2.gz	DGLVHDOSHQHECN-YCPBAFNGSA-N	-1	0	632.103	4.991	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531285319	1067187632	/nfs/dbraw/zinc/18/76/32/1067187632.db2.gz	RRBCINXCIPJOQN-FYDYWCEBSA-N	-1	0	528.403	4.583	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531285322	1067187590	/nfs/dbraw/zinc/18/75/90/1067187590.db2.gz	RRBCINXCIPJOQN-PJAVDKHJSA-N	-1	0	528.403	4.583	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@H](C)C(=O)[O-]	ZINC001531289800	1067187669	/nfs/dbraw/zinc/18/76/69/1067187669.db2.gz	YSDOKXBZAIKDLM-CJCQAYSXSA-N	-1	0	506.784	4.889	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O[C@@H](C)C(=O)[O-]	ZINC001531289802	1067187581	/nfs/dbraw/zinc/18/75/81/1067187581.db2.gz	YSDOKXBZAIKDLM-XIXVAHAYSA-N	-1	0	506.784	4.889	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)[O-]	ZINC001531291362	1067187676	/nfs/dbraw/zinc/18/76/76/1067187676.db2.gz	MIDPOYLYFWHDMX-MZJWZYIUSA-N	-1	0	528.403	4.584	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531292555	1067188314	/nfs/dbraw/zinc/18/83/14/1067188314.db2.gz	UVADTIXOXPANLA-SUZBBLJPSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531292556	1067188246	/nfs/dbraw/zinc/18/82/46/1067188246.db2.gz	UVADTIXOXPANLA-UQJRAWQTSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC001531296773	1067188835	/nfs/dbraw/zinc/18/88/35/1067188835.db2.gz	VCVLNMFOBCHSLM-LPUHGPTISA-N	-1	0	522.783	4.680	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OC)c1	ZINC001531296774	1067188803	/nfs/dbraw/zinc/18/88/03/1067188803.db2.gz	VCVLNMFOBCHSLM-LUKCILAXSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])c(Cl)c1Br	ZINC001531297544	1067188768	/nfs/dbraw/zinc/18/87/68/1067188768.db2.gz	FUCBCJGKDLDTPJ-YCPBAFNGSA-N	-1	0	587.652	4.882	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC001531297763	1067188791	/nfs/dbraw/zinc/18/87/91/1067188791.db2.gz	QBMIEMKTQRTSSU-FAJRRQPCSA-N	-1	0	524.169	4.931	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC001531297765	1067188740	/nfs/dbraw/zinc/18/87/40/1067188740.db2.gz	QBMIEMKTQRTSSU-VQGIZBIESA-N	-1	0	524.169	4.931	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC001531303171	1067188783	/nfs/dbraw/zinc/18/87/83/1067188783.db2.gz	FDLHRWNZQBNDNM-IXORVSQSSA-N	-1	0	516.392	4.634	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC001531303174	1067188744	/nfs/dbraw/zinc/18/87/44/1067188744.db2.gz	FDLHRWNZQBNDNM-NXYZXBHKSA-N	-1	0	516.392	4.634	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OC)c1OCC(=O)[O-]	ZINC001531303276	1067189371	/nfs/dbraw/zinc/18/93/71/1067189371.db2.gz	KEKFKKKGRZKLLC-OWAQKBPCSA-N	-1	0	528.403	4.755	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OC)c1OCC(=O)[O-]	ZINC001531303277	1067189513	/nfs/dbraw/zinc/18/95/13/1067189513.db2.gz	KEKFKKKGRZKLLC-QJXMJWHHSA-N	-1	0	528.403	4.755	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531303370	1067189507	/nfs/dbraw/zinc/18/95/07/1067189507.db2.gz	GLFACFZSYZNWBP-ASDXFMOLSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531303372	1067189445	/nfs/dbraw/zinc/18/94/45/1067189445.db2.gz	GLFACFZSYZNWBP-IJTYQOOWSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531303374	1067189545	/nfs/dbraw/zinc/18/95/45/1067189545.db2.gz	GLFACFZSYZNWBP-UFTMPCDOSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001531303376	1067189394	/nfs/dbraw/zinc/18/93/94/1067189394.db2.gz	GLFACFZSYZNWBP-XMUSQBDYSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(OCC)c1	ZINC001531304746	1067189957	/nfs/dbraw/zinc/18/99/57/1067189957.db2.gz	YJRBVIVZXVVJAB-OPEKNORGSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC001531309728	1067190755	/nfs/dbraw/zinc/19/07/55/1067190755.db2.gz	CKVOGWSGECOVKT-LPUHGPTISA-N	-1	0	567.234	4.789	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC001531309731	1067190734	/nfs/dbraw/zinc/19/07/34/1067190734.db2.gz	CKVOGWSGECOVKT-LUKCILAXSA-N	-1	0	567.234	4.789	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)[O-])c(Br)c1	ZINC001531310405	1067190792	/nfs/dbraw/zinc/19/07/92/1067190792.db2.gz	RTOIXEBPWCQGJI-IVWKQIGUSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1	ZINC001531310406	1067190760	/nfs/dbraw/zinc/19/07/60/1067190760.db2.gz	RTOIXEBPWCQGJI-ZFILKEQLSA-N	-1	0	537.208	4.608	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC001531311755	1067191319	/nfs/dbraw/zinc/19/13/19/1067191319.db2.gz	CXAAOSTVDYETML-SUZBBLJPSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC001531311759	1067191275	/nfs/dbraw/zinc/19/12/75/1067191275.db2.gz	CXAAOSTVDYETML-UQJRAWQTSA-N	-1	0	628.261	4.849	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001531317397	1067191263	/nfs/dbraw/zinc/19/12/63/1067191263.db2.gz	HYYBUXNGBMIKIF-OLLYESQCSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001531317399	1067191302	/nfs/dbraw/zinc/19/13/02/1067191302.db2.gz	HYYBUXNGBMIKIF-PTGPUUDJSA-N	-1	0	582.205	4.689	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531318258	1067191935	/nfs/dbraw/zinc/19/19/35/1067191935.db2.gz	AMGMYPWIECJIKR-FKPGFKQPSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531318259	1067191859	/nfs/dbraw/zinc/19/18/59/1067191859.db2.gz	AMGMYPWIECJIKR-KSZPVJSDSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531318260	1067191927	/nfs/dbraw/zinc/19/19/27/1067191927.db2.gz	AMGMYPWIECJIKR-OXPBTBPMSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531318261	1067191841	/nfs/dbraw/zinc/19/18/41/1067191841.db2.gz	AMGMYPWIECJIKR-VNWGXMQCSA-N	-1	0	561.389	4.714	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c([O-])c(I)c1	ZINC001531318685	1067192468	/nfs/dbraw/zinc/19/24/68/1067192468.db2.gz	QMVBPLIEJYDWOR-LSFURLLWSA-N	-1	0	638.041	4.909	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC001531319207	1067192449	/nfs/dbraw/zinc/19/24/49/1067192449.db2.gz	GFVYGQPZFTWZQZ-OPEKNORGSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531319429	1067192514	/nfs/dbraw/zinc/19/25/14/1067192514.db2.gz	SFXMFSUVURQSNY-ASDXFMOLSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531319430	1067192929	/nfs/dbraw/zinc/19/29/29/1067192929.db2.gz	SFXMFSUVURQSNY-IJTYQOOWSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531319431	1067192965	/nfs/dbraw/zinc/19/29/65/1067192965.db2.gz	SFXMFSUVURQSNY-UFTMPCDOSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531319432	1067192932	/nfs/dbraw/zinc/19/29/32/1067192932.db2.gz	SFXMFSUVURQSNY-XMUSQBDYSA-N	-1	0	551.781	4.968	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(OCC)c1	ZINC001531325311	1067192953	/nfs/dbraw/zinc/19/29/53/1067192953.db2.gz	NRKUQAPYZGUQAO-RPPGKUMJSA-N	-1	0	628.261	4.851	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC001531325477	1067193483	/nfs/dbraw/zinc/19/34/83/1067193483.db2.gz	RAJBTYQAKNFESY-OLLYESQCSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC001531325479	1067193444	/nfs/dbraw/zinc/19/34/44/1067193444.db2.gz	RAJBTYQAKNFESY-PTGPUUDJSA-N	-1	0	537.754	4.580	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)[O-])c(Br)c1	ZINC001531326303	1067193494	/nfs/dbraw/zinc/19/34/94/1067193494.db2.gz	DXGSEBFDKQNKSA-BHGWPJFGSA-N	-1	0	537.208	4.610	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531326688	1067193532	/nfs/dbraw/zinc/19/35/32/1067193532.db2.gz	OQEGPRSZGACBAO-BTQGWNRHSA-N	-1	0	551.781	4.797	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531326690	1067193476	/nfs/dbraw/zinc/19/34/76/1067193476.db2.gz	OQEGPRSZGACBAO-JBBSTVMTSA-N	-1	0	551.781	4.797	40	30		KJEBRM
C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)[O-]	ZINC001531326794	1067193423	/nfs/dbraw/zinc/19/34/23/1067193423.db2.gz	QNNANDYJFRSOMW-MZJWZYIUSA-N	-1	0	528.403	4.584	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC001531329315	1067194101	/nfs/dbraw/zinc/19/41/01/1067194101.db2.gz	RDXQPCQISDJYJN-LSHDLFTRSA-N	-1	0	524.169	4.760	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531332868	1067194478	/nfs/dbraw/zinc/19/44/78/1067194478.db2.gz	WIPBVCNEWDDYLU-BTQGWNRHSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531332869	1067194511	/nfs/dbraw/zinc/19/45/11/1067194511.db2.gz	WIPBVCNEWDDYLU-JBBSTVMTSA-N	-1	0	522.783	4.508	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)[O-])c(I)c1	ZINC001531333502	1067195111	/nfs/dbraw/zinc/19/51/11/1067195111.db2.gz	UZDPXDBXKMSMIF-PGGKNCGUSA-N	-1	0	696.077	4.666	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OCC)c1	ZINC001531336957	1067195065	/nfs/dbraw/zinc/19/50/65/1067195065.db2.gz	GWOXTONYRNOHRG-RPPGKUMJSA-N	-1	0	536.810	4.899	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(=O)[O-]	ZINC001531337097	1067195095	/nfs/dbraw/zinc/19/50/95/1067195095.db2.gz	JWSZYLITTNBYGT-BTQGWNRHSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)[O-]	ZINC001531337101	1067195023	/nfs/dbraw/zinc/19/50/23/1067195023.db2.gz	JWSZYLITTNBYGT-JBBSTVMTSA-N	-1	0	596.232	4.906	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC001531337262	1067195068	/nfs/dbraw/zinc/19/50/68/1067195068.db2.gz	PXUVOGIYVQXEHM-BTQGWNRHSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC001531337263	1067195105	/nfs/dbraw/zinc/19/51/05/1067195105.db2.gz	PXUVOGIYVQXEHM-JBBSTVMTSA-N	-1	0	567.234	4.617	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@H](C)C(=O)[O-])c(OCC)c1	ZINC001531340882	1067195624	/nfs/dbraw/zinc/19/56/24/1067195624.db2.gz	QHHOOIYCJSOZRA-SUZBBLJPSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(O[C@@H](C)C(=O)[O-])c(OCC)c1	ZINC001531340884	1067195553	/nfs/dbraw/zinc/19/55/53/1067195553.db2.gz	QHHOOIYCJSOZRA-UQJRAWQTSA-N	-1	0	536.810	4.898	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)[O-])cc1Br	ZINC001531347223	1067196155	/nfs/dbraw/zinc/19/61/55/1067196155.db2.gz	VCVGPFBPXPHPLS-OPEKNORGSA-N	-1	0	567.234	4.618	40	30		KJEBRM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC001531347450	1067196181	/nfs/dbraw/zinc/19/61/81/1067196181.db2.gz	GOYWGEGJRSZEKR-LPUHGPTISA-N	-1	0	522.783	4.680	40	30		KJEBRM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)[O-]	ZINC001531347452	1067196161	/nfs/dbraw/zinc/19/61/61/1067196161.db2.gz	GOYWGEGJRSZEKR-LUKCILAXSA-N	-1	0	522.783	4.680	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OCC)c1	ZINC001531347545	1067196128	/nfs/dbraw/zinc/19/61/28/1067196128.db2.gz	MIJHBXJMNUFVIM-OPEKNORGSA-N	-1	0	522.783	4.509	40	30		KJEBRM
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)[O-])c(Br)c1	ZINC001531347803	1067196776	/nfs/dbraw/zinc/19/67/76/1067196776.db2.gz	ZKECJIBESSJWRQ-PGGKNCGUSA-N	-1	0	602.077	4.982	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC001531382645	1067196661	/nfs/dbraw/zinc/19/66/61/1067196661.db2.gz	DGWFGTSRXSQMKQ-FYDYWCEBSA-N	-1	0	522.355	4.569	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC001531382646	1067196727	/nfs/dbraw/zinc/19/67/27/1067196727.db2.gz	DGWFGTSRXSQMKQ-PJAVDKHJSA-N	-1	0	522.355	4.569	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCC(=O)[O-]	ZINC001531382658	1067196756	/nfs/dbraw/zinc/19/67/56/1067196756.db2.gz	FAIQOOFKQSKAHE-MZJWZYIUSA-N	-1	0	522.355	4.570	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC001531382689	1067197270	/nfs/dbraw/zinc/19/72/70/1067197270.db2.gz	GSZCKNSVEUKKFU-FYDYWCEBSA-N	-1	0	522.355	4.569	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC001531382690	1067197265	/nfs/dbraw/zinc/19/72/65/1067197265.db2.gz	GSZCKNSVEUKKFU-PJAVDKHJSA-N	-1	0	522.355	4.569	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC001531382799	1067197284	/nfs/dbraw/zinc/19/72/84/1067197284.db2.gz	MQWILIUVYBQQNY-NEZLHVBRSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC001531382800	1067197295	/nfs/dbraw/zinc/19/72/95/1067197295.db2.gz	MQWILIUVYBQQNY-SSVJFZKPSA-N	-1	0	536.382	4.959	40	30		KJEBRM
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(I)c([O-])c(I)c1	ZINC001531383172	1067197847	/nfs/dbraw/zinc/19/78/47/1067197847.db2.gz	CHSQIYGPXWSXOH-WYMPLXKRSA-N	-1	0	593.162	4.861	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@H](C)C(=O)[O-]	ZINC001531383537	1067197967	/nfs/dbraw/zinc/19/79/67/1067197967.db2.gz	KJASLGIKJSUEMA-NEZLHVBRSA-N	-1	0	583.382	4.801	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1O[C@@H](C)C(=O)[O-]	ZINC001531383538	1067197827	/nfs/dbraw/zinc/19/78/27/1067197827.db2.gz	KJASLGIKJSUEMA-SSVJFZKPSA-N	-1	0	583.382	4.801	40	30		KJEBRM
O=C([O-])COc1c(I)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I	ZINC001531383589	1067197867	/nfs/dbraw/zinc/19/78/67/1067197867.db2.gz	MWAGIEURYLEPIF-RPPGKUMJSA-N	-1	0	651.198	4.618	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC001531383802	1067197854	/nfs/dbraw/zinc/19/78/54/1067197854.db2.gz	QKMAMHIUYUWKNN-NEZLHVBRSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC001531383803	1067197974	/nfs/dbraw/zinc/19/79/74/1067197974.db2.gz	QKMAMHIUYUWKNN-SSVJFZKPSA-N	-1	0	536.382	4.959	40	30		KJEBRM
CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCC(=O)[O-]	ZINC001531383968	1067198539	/nfs/dbraw/zinc/19/85/39/1067198539.db2.gz	SWFZUDRITHUHEV-MZJWZYIUSA-N	-1	0	522.355	4.570	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br	ZINC001531384253	1067198559	/nfs/dbraw/zinc/19/85/59/1067198559.db2.gz	YGZQPXHJUDPRDS-RPPGKUMJSA-N	-1	0	557.198	4.934	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Cl)c1OCC(=O)[O-]	ZINC001531384412	1067198497	/nfs/dbraw/zinc/19/84/97/1067198497.db2.gz	GRMMKQXPEHCFND-KKMKTNMSSA-N	-1	0	542.773	4.834	40	30		KJEBRM
O=C([O-])COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br	ZINC001531385614	1067199347	/nfs/dbraw/zinc/19/93/47/1067199347.db2.gz	WMOSJGZOFKVULI-RPPGKUMJSA-N	-1	0	512.747	4.825	40	30		KJEBRM
O=C([O-])COc1c(Br)cc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1	ZINC001531385813	1067199967	/nfs/dbraw/zinc/19/99/67/1067199967.db2.gz	ZBMQXGQDRAHZIF-RPPGKUMJSA-N	-1	0	512.747	4.825	40	30		KJEBRM
COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)c(Br)c1OCC(=O)[O-]	ZINC001531385824	1067200097	/nfs/dbraw/zinc/20/00/97/1067200097.db2.gz	YVTDSZQDYFSPHZ-KKMKTNMSSA-N	-1	0	587.224	4.943	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001547138630	1067201813	/nfs/dbraw/zinc/20/18/13/1067201813.db2.gz	DGXDIFDQZPYURA-DVEOZYTBSA-N	-1	0	645.024	4.828	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001547138631	1067201617	/nfs/dbraw/zinc/20/16/17/1067201617.db2.gz	DGXDIFDQZPYURA-XOIAFBHNSA-N	-1	0	645.024	4.828	40	30		KJEBRM
COCn1[n-]c(Br)nc1=NCCNC(=O)C[C@@H](c1ccc(SC)cc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O	ZINC001547138648	1067202329	/nfs/dbraw/zinc/20/23/29/1067202329.db2.gz	DSCKGCZECFSKOA-OIESYPEGSA-N	-1	0	765.083	4.596	40	30		KJEBRM
COCn1[n-]c(Br)nc1=NCCNC(=O)C[C@H](c1ccc(SC)cc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O	ZINC001547138650	1067202582	/nfs/dbraw/zinc/20/25/82/1067202582.db2.gz	DSCKGCZECFSKOA-PDVHPOCTSA-N	-1	0	765.083	4.596	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001547138667	1067202319	/nfs/dbraw/zinc/20/23/19/1067202319.db2.gz	FABPGBHWKDJFIK-DVEOZYTBSA-N	-1	0	646.008	4.951	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC001547138669	1067202349	/nfs/dbraw/zinc/20/23/49/1067202349.db2.gz	FABPGBHWKDJFIK-XOIAFBHNSA-N	-1	0	646.008	4.951	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001547138901	1067202297	/nfs/dbraw/zinc/20/22/97/1067202297.db2.gz	HUMNZRWEVYXLTF-DVEOZYTBSA-N	-1	0	646.008	4.951	40	30		KJEBRM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC001547138902	1067202362	/nfs/dbraw/zinc/20/23/62/1067202362.db2.gz	HUMNZRWEVYXLTF-XOIAFBHNSA-N	-1	0	646.008	4.951	40	30		KJEBRM
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)C(C)=CC=CC(C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(OC(C)=O)=C1C)C2=O	ZINC001560406080	1067205951	/nfs/dbraw/zinc/20/59/51/1067205951.db2.gz	LOBDOWBMALQEQB-AKSANESYSA-N	-1	0	691.730	4.735	40	30		KJEBRM
CC(C)CC(NCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O	ZINC001560408639	1067205856	/nfs/dbraw/zinc/20/58/56/1067205856.db2.gz	DZMOLEGWOGJDMW-UHFFFAOYSA-N	-1	0	531.629	4.990	40	30		KJEBRM