smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408812752	556863030	/nfs/dbraw/zinc/86/30/30/556863030.db2.gz	PKTNGRUJNMFJDL-LFIBNONCSA-N	0	2	428.828	3.192	40	10		IGCBLN
CN(C)c1oc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000408849784	556870733	/nfs/dbraw/zinc/87/07/33/556870733.db2.gz	ZDFKENHBIFVMPS-KPKJPENVSA-N	0	2	438.665	3.428	40	10		IGCBLN
CCOc1ccc(O)c(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)c1	ZINC000408854183	556871684	/nfs/dbraw/zinc/87/16/84/556871684.db2.gz	ZGLUWSUNVWXVQV-SFQUDFHCSA-N	0	2	440.452	3.255	40	10		IGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC	ZINC000408900578	556882243	/nfs/dbraw/zinc/88/22/43/556882243.db2.gz	YXQOTMLNZPQRCS-ZROIWOOFSA-N	0	2	445.269	3.441	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	ZINC000409066696	556941823	/nfs/dbraw/zinc/94/18/23/556941823.db2.gz	PIDMBZXIWWGQHU-HKWRFOASSA-N	0	2	448.456	3.121	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000409204074	557002928	/nfs/dbraw/zinc/00/29/28/557002928.db2.gz	AJVVBVZYFFPSSY-LFIBNONCSA-N	0	2	425.397	3.059	40	10		IGCBLN
O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1)Nc1ccccc1	ZINC000409263943	557041453	/nfs/dbraw/zinc/04/14/53/557041453.db2.gz	DBYNMFGJKZVHMR-QNGOZBTKSA-N	0	2	441.443	3.371	40	10		IGCBLN
CCc1ccc(N2C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1	ZINC000409370412	557089377	/nfs/dbraw/zinc/08/93/77/557089377.db2.gz	QLSJVEACNKBFEX-CPNJWEJPSA-N	0	2	432.505	3.280	40	10		IGCBLN
CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000107829334	569260599	/nfs/dbraw/zinc/26/05/99/569260599.db2.gz	BFIPFKIBYWBYGG-ZROIWOOFSA-N	0	2	432.230	3.217	40	10		IGCBLN
CCOc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)sc2c1	ZINC000408534390	569584527	/nfs/dbraw/zinc/58/45/27/569584527.db2.gz	QURBUHYOXXLRDX-RVDMUPIBSA-N	0	2	436.493	3.891	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000016691689	556627340	/nfs/dbraw/zinc/62/73/40/556627340.db2.gz	AIGLHGOYBOPICT-ZSOIEALJSA-N	0	2	427.369	3.214	40	10		IGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OC)ccc3OC)C2=O)c1	ZINC000408851428	556870924	/nfs/dbraw/zinc/87/09/24/556870924.db2.gz	ZHTATIVDHKEYKR-SFQUDFHCSA-N	0	2	440.452	3.168	40	10		IGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000408866147	556873563	/nfs/dbraw/zinc/87/35/63/556873563.db2.gz	FYCZZLFYAZKHIK-VIZOYTHASA-N	0	2	446.213	3.032	40	10		IGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(OC)c1	ZINC000408898245	556883386	/nfs/dbraw/zinc/88/33/86/556883386.db2.gz	PIZKOOQMDPXBIA-DHDCSXOGSA-N	0	2	445.269	3.441	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	ZINC000408939403	556896334	/nfs/dbraw/zinc/89/63/34/556896334.db2.gz	MKBVNJAGWBLGET-MDWZMJQESA-N	0	2	446.213	3.032	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)c(OC)c1	ZINC000408961693	556901119	/nfs/dbraw/zinc/90/11/19/556901119.db2.gz	UQZBTKROXTZFHW-CPNJWEJPSA-N	0	2	435.480	3.279	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)cc1	ZINC000409198335	556995472	/nfs/dbraw/zinc/99/54/72/556995472.db2.gz	CUQUGLJHSBGGKX-DZSVRRGNSA-N	0	2	437.496	3.349	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OC)c(OC)c2)C1=O	ZINC000409250835	557031257	/nfs/dbraw/zinc/03/12/57/557031257.db2.gz	ODPIBFZIGCYJFK-UKTHLTGXSA-N	0	2	430.844	3.422	40	10		IGCBLN
CCOc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccccc4CC)C3=O)sc2c1	ZINC000408529799	569584557	/nfs/dbraw/zinc/58/45/57/569584557.db2.gz	IAJQKOIBOVJLTO-NTCAYCPXSA-N	0	2	436.493	3.836	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1	ZINC000408531385	555732004	/nfs/dbraw/zinc/73/20/04/555732004.db2.gz	KLMNGPWEUJYUGV-LFIBNONCSA-N	0	2	430.258	3.427	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1	ZINC000408758010	556634051	/nfs/dbraw/zinc/63/40/51/556634051.db2.gz	UJUWCJLEGANOFQ-BKUYFWCQSA-N	0	2	430.464	3.473	40	10		IGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O	ZINC000408812030	556862706	/nfs/dbraw/zinc/86/27/06/556862706.db2.gz	BXAGCKMRFHQMNV-OVCLIPMQSA-N	0	2	445.269	3.447	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000408848487	556870040	/nfs/dbraw/zinc/87/00/40/556870040.db2.gz	VILISVRLGRXDEC-NTUHNPAUSA-N	0	2	431.788	3.019	40	10		IGCBLN
CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408851467	556870991	/nfs/dbraw/zinc/87/09/91/556870991.db2.gz	ZRKPQBNZSSCQDS-AWNIVKPZSA-N	0	2	444.827	3.142	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	ZINC000408851602	556871023	/nfs/dbraw/zinc/87/10/23/556871023.db2.gz	DETBISHPOUENHA-NTEUORMPSA-N	0	2	448.248	3.448	40	10		IGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000408901452	556882577	/nfs/dbraw/zinc/88/25/77/556882577.db2.gz	YGUVDHXRLYTHKS-FYJGNVAPSA-N	0	2	442.475	3.168	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Cl)cc1OC	ZINC000408949483	556897811	/nfs/dbraw/zinc/89/78/11/556897811.db2.gz	IDXQQORSUOIOSF-AWNIVKPZSA-N	0	2	444.827	3.142	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409214390	557008867	/nfs/dbraw/zinc/00/88/67/557008867.db2.gz	XEDGOQZCRCDQMI-XSFVSMFZSA-N	0	2	428.448	3.155	40	10		IGCBLN
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000409228186	557014874	/nfs/dbraw/zinc/01/48/74/557014874.db2.gz	VNSJGMIXTZDXIX-MDWZMJQESA-N	0	2	430.844	3.341	40	10		IGCBLN
COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000409228725	557015588	/nfs/dbraw/zinc/01/55/88/557015588.db2.gz	DDPZZMDEKGPQTB-WOJGMQOQSA-N	0	2	449.463	3.081	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Br)c2)C1=O	ZINC000409238288	557019815	/nfs/dbraw/zinc/01/98/15/557019815.db2.gz	WRQSKTBDMBBLLV-FMIVXFBMSA-N	0	2	431.242	3.220	40	10		IGCBLN
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br	ZINC000409391654	557096075	/nfs/dbraw/zinc/09/60/75/557096075.db2.gz	JCXJSWOEDXTHSG-NTEUORMPSA-N	0	2	430.258	3.298	40	10		IGCBLN
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1	ZINC000409391885	557096539	/nfs/dbraw/zinc/09/65/39/557096539.db2.gz	KDWHXGXWRODTQM-FYJGNVAPSA-N	0	2	443.463	3.114	40	10		IGCBLN
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)OC	ZINC000059135288	557815344	/nfs/dbraw/zinc/81/53/44/557815344.db2.gz	GXPIJBMZEMEUAM-MHWRWJLKSA-N	0	2	442.399	3.283	40	10		IGCBLN
COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000107888435	569260607	/nfs/dbraw/zinc/26/06/07/569260607.db2.gz	KPPSAHHYVOKTMM-KSSSLANASA-N	0	2	435.263	3.395	40	10		IGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1	ZINC000108287290	569260931	/nfs/dbraw/zinc/26/09/31/569260931.db2.gz	SRHOMZAMXFWRNI-WJDWOHSUSA-N	0	2	447.363	3.152	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC	ZINC000408742023	556215560	/nfs/dbraw/zinc/21/55/60/556215560.db2.gz	UJFQWXISVONZKW-JYRVWZFOSA-N	0	2	431.242	3.133	40	10		IGCBLN
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O	ZINC000408758848	556681523	/nfs/dbraw/zinc/68/15/23/556681523.db2.gz	SJCPPWFGNFQRGK-LCYFTJDESA-N	0	2	431.242	3.138	40	10		IGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	ZINC000408794637	556856944	/nfs/dbraw/zinc/85/69/44/556856944.db2.gz	ADQPLNSONXCBAQ-GZTJUZNOSA-N	0	2	439.424	3.449	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC	ZINC000408800508	556858370	/nfs/dbraw/zinc/85/83/70/556858370.db2.gz	NFMWQXPSVDNWJU-OQLLNIDSSA-N	0	2	430.844	3.422	40	10		IGCBLN
CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O	ZINC000408903711	556886080	/nfs/dbraw/zinc/88/60/80/556886080.db2.gz	XCLLPAVUNBNNKD-GXDHUFHOSA-N	0	2	431.242	3.220	40	10		IGCBLN
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C	ZINC000408952173	556898283	/nfs/dbraw/zinc/89/82/83/556898283.db2.gz	KVBHCLWLSRLYHO-YBFXNURJSA-N	0	2	429.432	3.489	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)OC)c4ccccc34)C2=O)cc1	ZINC000408983312	556908299	/nfs/dbraw/zinc/90/82/99/556908299.db2.gz	LIIDMSZOVSDTAG-UNOMPAQXSA-N	0	2	431.448	3.043	40	10		IGCBLN
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408990240	556911237	/nfs/dbraw/zinc/91/12/37/556911237.db2.gz	WKHFNPKTFNWXLA-MLPAPPSSSA-N	0	2	445.815	3.240	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2OC)C1=O	ZINC000409245248	557026980	/nfs/dbraw/zinc/02/69/80/557026980.db2.gz	PRBQGTJVMFBULU-NBVRZTHBSA-N	0	2	435.480	3.361	40	10		IGCBLN
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)c(C)c1	ZINC000409244959	557027049	/nfs/dbraw/zinc/02/70/49/557027049.db2.gz	LFHMJVXSCQZSGY-WOJGMQOQSA-N	0	2	431.404	3.103	40	10		IGCBLN
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccccc2)c1O	ZINC000026786637	557248869	/nfs/dbraw/zinc/24/88/69/557248869.db2.gz	UGADOVUQVFCWRF-UHFFFAOYSA-N	0	2	448.478	3.242	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1	ZINC000408740510	556212555	/nfs/dbraw/zinc/21/25/55/556212555.db2.gz	LEYKLYNSRWBHCK-NTEUORMPSA-N	0	2	431.242	3.220	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br	ZINC000408759228	556685825	/nfs/dbraw/zinc/68/58/25/556685825.db2.gz	ACLCLAIXLMFPNA-NTEUORMPSA-N	0	2	430.214	3.332	40	10		IGCBLN
COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1	ZINC000408952364	556898885	/nfs/dbraw/zinc/89/88/85/556898885.db2.gz	NLWGANWQQWBBHI-WOJGMQOQSA-N	0	2	446.415	3.252	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1	ZINC000408987362	556909814	/nfs/dbraw/zinc/90/98/14/556909814.db2.gz	OHMQWXBAEKPXPH-ZSOIEALJSA-N	0	2	445.269	3.392	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OCc1ccccc1	ZINC000409245029	557027043	/nfs/dbraw/zinc/02/70/43/557027043.db2.gz	MJFUAEIVTXMSID-XDHOZWIPSA-N	0	2	429.432	3.336	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC	ZINC000409245238	557027103	/nfs/dbraw/zinc/02/71/03/557027103.db2.gz	PMAPQMVUUJWFFT-MDWZMJQESA-N	0	2	430.844	3.341	40	10		IGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000208467477	569261351	/nfs/dbraw/zinc/26/13/51/569261351.db2.gz	VEBBTPIYMPIWSU-OQLLNIDSSA-N	0	2	445.269	3.441	40	10		IGCBLN
Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C	ZINC000408534237	555750606	/nfs/dbraw/zinc/75/06/06/555750606.db2.gz	PUGQYRADWWFVIU-MHWRWJLKSA-N	0	2	443.301	3.458	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNN(C)c3ccccc3)C2=O)c(C)cc1Br	ZINC000408535890	555756797	/nfs/dbraw/zinc/75/67/97/555756797.db2.gz	UKQNMIZIQWSDDV-RVDMUPIBSA-N	0	2	443.301	3.174	40	10		IGCBLN
Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000408537074	555768307	/nfs/dbraw/zinc/76/83/07/555768307.db2.gz	YZZFVSNEVXMGTM-XNTDXEJSSA-N	0	2	429.274	3.149	40	10		IGCBLN
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O	ZINC000408739627	556210691	/nfs/dbraw/zinc/21/06/91/556210691.db2.gz	DJMSLLNXYGQLTB-ZSOIEALJSA-N	0	2	431.242	3.138	40	10		IGCBLN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408755066	556238022	/nfs/dbraw/zinc/23/80/22/556238022.db2.gz	BHZRHKYVAWMHJE-UDWIEESQSA-N	0	2	445.435	3.372	40	10		IGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1C	ZINC000016349983	556601998	/nfs/dbraw/zinc/60/19/98/556601998.db2.gz	BHJRYJDMDPTQAU-LCYFTJDESA-N	0	2	439.384	3.046	40	10		IGCBLN
CC(C)(C)SCCNC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000019595344	556830648	/nfs/dbraw/zinc/83/06/48/556830648.db2.gz	SCMJJPIFQPUJHZ-JLHYYAGUSA-N	0	2	426.336	3.037	40	10		IGCBLN
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000408850289	556870615	/nfs/dbraw/zinc/87/06/15/556870615.db2.gz	KKFGTGIGNDYPAH-NTUHNPAUSA-N	0	2	449.232	3.272	40	10		IGCBLN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)c1	ZINC000408855659	556871925	/nfs/dbraw/zinc/87/19/25/556871925.db2.gz	FUMUUIKGEFATJE-RIYZIHGNSA-N	0	2	432.274	3.391	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1	ZINC000408883630	556877402	/nfs/dbraw/zinc/87/74/02/556877402.db2.gz	QMABPTYKUZJYIH-CXUHLZMHSA-N	0	2	431.242	3.133	40	10		IGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	ZINC000408933529	556895058	/nfs/dbraw/zinc/89/50/58/556895058.db2.gz	AOJNQLIOIZVYQE-LFIBNONCSA-N	0	2	425.397	3.059	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OC	ZINC000408954027	556898842	/nfs/dbraw/zinc/89/88/42/556898842.db2.gz	QYPISZSPBGRRFG-AWNIVKPZSA-N	0	2	444.827	3.142	40	10		IGCBLN
Cc1cc(O)c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786867	557248837	/nfs/dbraw/zinc/24/88/37/557248837.db2.gz	IEUPNRHJFAKMBB-UHFFFAOYSA-N	0	2	448.478	3.242	40	10		IGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(=O)[nH]1	ZINC000104090702	557320033	/nfs/dbraw/zinc/32/00/33/557320033.db2.gz	KPYAVRQTZSHBFX-VHXPQNKSSA-N	0	2	446.518	3.109	40	10		IGCBLN
COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OC)cc1	ZINC000017094377	557484423	/nfs/dbraw/zinc/48/44/23/557484423.db2.gz	NJVXVANTRIWMLG-MOSHPQCFSA-N	0	2	425.416	3.264	40	10		IGCBLN
COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OC)cc1	ZINC000017101283	557490120	/nfs/dbraw/zinc/49/01/20/557490120.db2.gz	IAYGPIJPZGMQII-STZFKDTASA-N	0	2	437.452	3.134	40	10		IGCBLN
COc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)sc2c1	ZINC000408531027	569584725	/nfs/dbraw/zinc/58/47/25/569584725.db2.gz	KCBFFMVSURTPST-XNTDXEJSSA-N	0	2	436.493	3.809	40	10		IGCBLN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408755964	556238850	/nfs/dbraw/zinc/23/88/50/556238850.db2.gz	GNEYRPDZIZFSIO-UDWIEESQSA-N	0	2	445.435	3.372	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Br	ZINC000408760021	556687002	/nfs/dbraw/zinc/68/70/02/556687002.db2.gz	QBSSWNWTKSIFBT-UKTHLTGXSA-N	0	2	430.214	3.332	40	10		IGCBLN
COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000002304768	556799661	/nfs/dbraw/zinc/79/96/61/556799661.db2.gz	QZPHLPLNHVQFKM-LZYBPNLTSA-N	0	2	447.403	3.050	40	10		IGCBLN
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000408911839	556888537	/nfs/dbraw/zinc/88/85/37/556888537.db2.gz	OPRHOKLWAGOBJW-VCHYOVAHSA-N	0	2	435.411	3.010	40	10		IGCBLN
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000408962077	556901400	/nfs/dbraw/zinc/90/14/00/556901400.db2.gz	GHKZISNGMCTCLY-KPKJPENVSA-N	0	2	446.213	3.038	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	ZINC000059248907	557819129	/nfs/dbraw/zinc/81/91/29/557819129.db2.gz	PJULNZRHEXFPCS-GXDHUFHOSA-N	0	2	430.258	3.309	40	10		IGCBLN
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000109026855	569253452	/nfs/dbraw/zinc/25/34/52/569253452.db2.gz	XGIGQFDKQDLOBM-YBEGLDIGSA-N	0	2	443.253	3.349	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1I	ZINC000408550333	555862880	/nfs/dbraw/zinc/86/28/80/555862880.db2.gz	GBVFSDKOSMCDNR-PKNBQFBNSA-N	0	2	436.180	3.097	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C	ZINC000408804859	556860521	/nfs/dbraw/zinc/86/05/21/556860521.db2.gz	BVKBZVBQUGVRPH-LICLKQGHSA-N	0	2	439.424	3.447	40	10		IGCBLN
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)c1	ZINC000408849102	556870358	/nfs/dbraw/zinc/87/03/58/556870358.db2.gz	UQRHTPOQSQHXML-NTEUORMPSA-N	0	2	448.273	3.173	40	10		IGCBLN
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408850692	556870592	/nfs/dbraw/zinc/87/05/92/556870592.db2.gz	CMEUCBKRRIUIFM-WFSQQTBHSA-N	0	2	438.436	3.268	40	10		IGCBLN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)c1	ZINC000408857907	556871109	/nfs/dbraw/zinc/87/11/09/556871109.db2.gz	NNHVEZRNHXUPBO-GZTJUZNOSA-N	0	2	440.452	3.168	40	10		IGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1	ZINC000408867735	556873931	/nfs/dbraw/zinc/87/39/31/556873931.db2.gz	MSNMBVABDSMJAY-LICLKQGHSA-N	0	2	428.828	3.192	40	10		IGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1	ZINC000408876823	556876964	/nfs/dbraw/zinc/87/69/64/556876964.db2.gz	QZCCAWYPBZZYMQ-LFIBNONCSA-N	0	2	443.253	3.292	40	10		IGCBLN
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000409107808	556959662	/nfs/dbraw/zinc/95/96/62/556959662.db2.gz	QVFZQVONRMSCKK-RVDMUPIBSA-N	0	2	439.443	3.110	40	10		IGCBLN
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000409187312	556988066	/nfs/dbraw/zinc/98/80/66/556988066.db2.gz	OTHRXGILICXQLB-VCHYOVAHSA-N	0	2	442.855	3.337	40	10		IGCBLN
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000038160496	557203511	/nfs/dbraw/zinc/20/35/11/557203511.db2.gz	KMQAIOHCLXXFQR-RIYZIHGNSA-N	0	2	427.369	3.214	40	10		IGCBLN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)CC	ZINC000408536106	555759044	/nfs/dbraw/zinc/75/90/44/555759044.db2.gz	PSQRSBXGUAWWKY-BOPFTXTBSA-N	0	2	438.436	3.076	40	10		IGCBLN
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccco3)C2=O)c1	ZINC000408536257	555759859	/nfs/dbraw/zinc/75/98/59/555759859.db2.gz	QSPKKNUTLIBEBV-ATVHPVEESA-N	0	2	432.388	3.174	40	10		IGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N(C)C)o3)C2=O)c1C	ZINC000408854078	556871749	/nfs/dbraw/zinc/87/17/49/556871749.db2.gz	XCBUSFQVHLHVNW-MDWZMJQESA-N	0	2	432.274	3.391	40	10		IGCBLN
Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408996587	556912431	/nfs/dbraw/zinc/91/24/31/556912431.db2.gz	IXWSQVQGJSOLFK-CPNJWEJPSA-N	0	2	429.480	3.435	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409245306	557027362	/nfs/dbraw/zinc/02/73/62/557027362.db2.gz	QQPLTGKLNGCNDK-NBVRZTHBSA-N	0	2	446.419	3.451	40	10		IGCBLN
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000014133201	557421910	/nfs/dbraw/zinc/42/19/10/557421910.db2.gz	LWPIYVACOXBUOG-SFQUDFHCSA-N	0	2	435.480	3.279	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)cc1	ZINC000004471705	536184024	/nfs/dbraw/zinc/18/40/24/536184024.db2.gz	IMDIZRLJAPTWRA-LCYFTJDESA-N	0	2	436.205	3.113	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)c(C)c3)C2=O)cc1	ZINC000408532262	555741145	/nfs/dbraw/zinc/74/11/45/555741145.db2.gz	MFHJQOIOXHISHW-GDNBJRDFSA-N	0	2	430.258	3.345	40	10		IGCBLN
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408534467	555751412	/nfs/dbraw/zinc/75/14/12/555751412.db2.gz	MAYZPIAPTLUKFE-GDNBJRDFSA-N	0	2	443.253	3.349	40	10		IGCBLN
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000408739306	556210101	/nfs/dbraw/zinc/21/01/01/556210101.db2.gz	BCFWWTQKGKSLBE-MDWZMJQESA-N	0	2	431.242	3.133	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000408934405	556895212	/nfs/dbraw/zinc/89/52/12/556895212.db2.gz	ALGZSMFMBBIBMG-NTUHNPAUSA-N	0	2	431.788	3.019	40	10		IGCBLN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1	ZINC000409186817	556991186	/nfs/dbraw/zinc/99/11/86/556991186.db2.gz	IFUWRJPATKXOTK-UDWIEESQSA-N	0	2	436.464	3.300	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409201978	557001168	/nfs/dbraw/zinc/00/11/68/557001168.db2.gz	PKRJOGSDEMTAQF-QGOAFFKASA-N	0	2	446.438	3.294	40	10		IGCBLN
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000409240251	557021554	/nfs/dbraw/zinc/02/15/54/557021554.db2.gz	SBFISPQHXRYRFB-ODLFYWEKSA-N	0	2	431.408	3.064	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	ZINC000409246575	557028272	/nfs/dbraw/zinc/02/82/72/557028272.db2.gz	IXAWXQXOBBMSTI-NBVRZTHBSA-N	0	2	446.419	3.451	40	10		IGCBLN
CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(O)cc2)C1=O	ZINC000408529809	555724139	/nfs/dbraw/zinc/72/41/39/555724139.db2.gz	KCMVVRMTDSLFIN-XNTDXEJSSA-N	0	2	430.258	3.296	40	10		IGCBLN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)CC	ZINC000408532751	555744916	/nfs/dbraw/zinc/74/49/16/555744916.db2.gz	IWODZEIVJRFXFZ-KAMYIIQDSA-N	0	2	426.400	3.206	40	10		IGCBLN
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408537142	555768991	/nfs/dbraw/zinc/76/89/91/555768991.db2.gz	ZHHSCSZPPHVZDT-NTCAYCPXSA-N	0	2	448.483	3.002	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1	ZINC000408741398	556214267	/nfs/dbraw/zinc/21/42/67/556214267.db2.gz	PPFMCHVPGOHRTL-NTEUORMPSA-N	0	2	431.242	3.133	40	10		IGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	ZINC000408802093	556857957	/nfs/dbraw/zinc/85/79/57/556857957.db2.gz	CWNIPBNTDNGMOV-NTEUORMPSA-N	0	2	431.242	3.220	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c(OC)c1	ZINC000408960830	556899997	/nfs/dbraw/zinc/89/99/97/556899997.db2.gz	OMLYVZKTXOUQAO-XMHGGMMESA-N	0	2	435.480	3.361	40	10		IGCBLN
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409091937	556952087	/nfs/dbraw/zinc/95/20/87/556952087.db2.gz	WAPKUKICLUMVSL-LFIBNONCSA-N	0	2	446.290	3.496	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)c(OC)c1	ZINC000409231101	557022778	/nfs/dbraw/zinc/02/27/78/557022778.db2.gz	BMQGQXPYUQXGRS-LDADJPATSA-N	0	2	446.463	3.173	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OCc1ccccc1	ZINC000409390411	557095174	/nfs/dbraw/zinc/09/51/74/557095174.db2.gz	FGPCJIDNTWMYLI-CPNJWEJPSA-N	0	2	429.432	3.336	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000409394276	557098459	/nfs/dbraw/zinc/09/84/59/557098459.db2.gz	YATCSPMGSFWXOV-XDHOZWIPSA-N	0	2	445.435	3.372	40	10		IGCBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000102735964	557131867	/nfs/dbraw/zinc/13/18/67/557131867.db2.gz	QHKWERGKKORRBD-PCJMVEANSA-N	0	2	438.896	3.464	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1	ZINC000034201513	557811069	/nfs/dbraw/zinc/81/10/69/557811069.db2.gz	VIDWVIAGXBYDSZ-BOPFTXTBSA-N	0	2	438.436	3.316	40	10		IGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000033385782	569259183	/nfs/dbraw/zinc/25/91/83/569259183.db2.gz	NLYABZNAYYDMTJ-BOPFTXTBSA-N	0	2	447.363	3.152	40	10		IGCBLN
COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000107888442	569260674	/nfs/dbraw/zinc/26/06/74/569260674.db2.gz	KPPSAHHYVOKTMM-ZEVOCZHWSA-N	0	2	435.263	3.395	40	10		IGCBLN
Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1	ZINC000408531583	555733662	/nfs/dbraw/zinc/73/36/62/555733662.db2.gz	ONPXXAVCNCUKMT-XNTDXEJSSA-N	0	2	443.301	3.458	40	10		IGCBLN
Cc1ccccc1NNC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O	ZINC000408535353	555762262	/nfs/dbraw/zinc/76/22/62/555762262.db2.gz	SJRSCAXNKJDFFO-GXDHUFHOSA-N	0	2	443.301	3.458	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1O	ZINC000408760739	556687530	/nfs/dbraw/zinc/68/75/30/556687530.db2.gz	FGUKTQDLVIMQFG-MDWZMJQESA-N	0	2	431.242	3.138	40	10		IGCBLN
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000408820517	556866011	/nfs/dbraw/zinc/86/60/11/556866011.db2.gz	WRVXHOIVLGUWAV-DEDYPNTBSA-N	0	2	445.475	3.488	40	10		IGCBLN
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000408854271	556871640	/nfs/dbraw/zinc/87/16/40/556871640.db2.gz	BHPWBNSUKIIEFT-NTUHNPAUSA-N	0	2	449.232	3.272	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	ZINC000409215189	557009991	/nfs/dbraw/zinc/00/99/91/557009991.db2.gz	YETPLTOFCCKGHH-SFQUDFHCSA-N	0	2	439.424	3.449	40	10		IGCBLN
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000409399701	557101697	/nfs/dbraw/zinc/10/16/97/557101697.db2.gz	LXMRYNPQXRTXSA-ZSOIEALJSA-N	0	2	435.263	3.397	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNC(=S)Nc3ccc(C)c(C)c3)C2=O)cc1	ZINC000408526778	555715965	/nfs/dbraw/zinc/71/59/65/555715965.db2.gz	CKNYXESUMZPEHY-LDADJPATSA-N	0	2	438.509	3.155	40	10		IGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C(=O)N(CC)CC)cc2)C1=O	ZINC000408527145	555716946	/nfs/dbraw/zinc/71/69/46/555716946.db2.gz	CUPSLYOWRHTMOL-XDJHFCHBSA-N	0	2	434.496	3.310	40	10		IGCBLN
CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000408538007	555774374	/nfs/dbraw/zinc/77/43/74/555774374.db2.gz	YJNFYSWBTTXNTP-GDNBJRDFSA-N	0	2	428.828	3.330	40	10		IGCBLN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2I)C1=O	ZINC000408550855	555852506	/nfs/dbraw/zinc/85/25/06/555852506.db2.gz	KJQVCWLDCSGBAU-JLHYYAGUSA-N	0	2	432.217	3.266	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000408740085	556211638	/nfs/dbraw/zinc/21/16/38/556211638.db2.gz	DDRNOGQHGMGSCP-YRNVUSSQSA-N	0	2	440.047	3.471	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1O	ZINC000408779235	556854023	/nfs/dbraw/zinc/85/40/23/556854023.db2.gz	SOYYVKQGLRMMBB-KPKJPENVSA-N	0	2	446.843	3.128	40	10		IGCBLN
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408850691	556870607	/nfs/dbraw/zinc/87/06/07/556870607.db2.gz	CMEUCBKRRIUIFM-BPKVKKHESA-N	0	2	438.436	3.268	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409209998	557004317	/nfs/dbraw/zinc/00/43/17/557004317.db2.gz	HQUYCOFRVRMPMT-UDWIEESQSA-N	0	2	446.438	3.294	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1OC	ZINC000409212240	557006866	/nfs/dbraw/zinc/00/68/66/557006866.db2.gz	OFJFCTOLHUXIMH-GZTJUZNOSA-N	0	2	440.452	3.168	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000409394018	557098127	/nfs/dbraw/zinc/09/81/27/557098127.db2.gz	ULVBVAKXEUMBNK-YBFXNURJSA-N	0	2	431.408	3.064	40	10		IGCBLN
COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC	ZINC000112292066	557239182	/nfs/dbraw/zinc/23/91/82/557239182.db2.gz	XNSXVWLJUHBJQE-HMAPJEAMSA-N	0	2	439.468	3.364	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC	ZINC000408800766	556858326	/nfs/dbraw/zinc/85/83/26/556858326.db2.gz	QTZGGQWIYAPKNW-VGOFMYFVSA-N	0	2	445.815	3.322	40	10		IGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1	ZINC000408891800	556881534	/nfs/dbraw/zinc/88/15/34/556881534.db2.gz	VOQIXYVYGHAKNE-CPNJWEJPSA-N	0	2	430.416	3.389	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OC	ZINC000408911550	556888220	/nfs/dbraw/zinc/88/82/20/556888220.db2.gz	NVARPZGWPURYRG-MLPAPPSSSA-N	0	2	449.232	3.272	40	10		IGCBLN
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1	ZINC000409227603	557014751	/nfs/dbraw/zinc/01/47/51/557014751.db2.gz	QQCBOJLSXAJWJL-CIAFOILYSA-N	0	2	443.463	3.114	40	10		IGCBLN
CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3C)C1=O)OCO2	ZINC000409246311	557027917	/nfs/dbraw/zinc/02/79/17/557027917.db2.gz	AVTSSNLBEKKSJY-NTUHNPAUSA-N	0	2	428.828	3.442	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000008781242	132294456	/nfs/dbraw/zinc/29/44/56/132294456.db2.gz	HCDBHMVYASZILZ-SFQUDFHCSA-N	0	2	436.424	3.247	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O	ZINC000009056467	535658912	/nfs/dbraw/zinc/65/89/12/535658912.db2.gz	CEYHZGUFDKHRDJ-RIYZIHGNSA-N	0	2	431.242	3.220	40	10		IGCBLN
Cc1c(C)c(N2C(=O)NC(=O)C(=CNNc3ccccc3)C2=O)ccc1Br	ZINC000408526354	555715731	/nfs/dbraw/zinc/71/57/31/555715731.db2.gz	BCMLPKVCYNJITK-GXDHUFHOSA-N	0	2	429.274	3.149	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	ZINC000408533884	555748773	/nfs/dbraw/zinc/74/87/73/555748773.db2.gz	PLRLQMVLSOFFSF-LFIBNONCSA-N	0	2	428.832	3.027	40	10		IGCBLN
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000408536440	555771669	/nfs/dbraw/zinc/77/16/69/555771669.db2.gz	RJEKCSFBPSETBQ-LCYFTJDESA-N	0	2	447.216	3.180	40	10		IGCBLN
Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(I)cc1	ZINC000000792599	556694788	/nfs/dbraw/zinc/69/47/88/556694788.db2.gz	BZKUSCCMKSBKEO-UHFFFAOYSA-N	0	2	431.280	3.405	40	10		IGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000408804076	556859909	/nfs/dbraw/zinc/85/99/09/556859909.db2.gz	COFYLWPESZCSAW-MHWRWJLKSA-N	0	2	425.397	3.059	40	10		IGCBLN
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408913784	556889277	/nfs/dbraw/zinc/88/92/77/556889277.db2.gz	NSXRVZAVNBGVCL-AWNIVKPZSA-N	0	2	449.232	3.272	40	10		IGCBLN
COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1	ZINC000408953960	556898889	/nfs/dbraw/zinc/89/88/89/556898889.db2.gz	RADZIIJDJCNLNG-CPNJWEJPSA-N	0	2	447.447	3.170	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1C	ZINC000408967889	556903639	/nfs/dbraw/zinc/90/36/39/556903639.db2.gz	XXXGPNLHVNHDQA-XNTDXEJSSA-N	0	2	445.269	3.441	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	ZINC000409073974	556946945	/nfs/dbraw/zinc/94/69/45/556946945.db2.gz	OPLBVPFHQMMUOL-XDJHFCHBSA-N	0	2	448.456	3.121	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000409215677	557010470	/nfs/dbraw/zinc/01/04/70/557010470.db2.gz	DHYSECMKJBRQIL-LFIBNONCSA-N	0	2	425.397	3.059	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000409230575	557022369	/nfs/dbraw/zinc/02/23/69/557022369.db2.gz	ZNLBCEYGSRHVAD-VXLYETTFSA-N	0	2	431.408	3.064	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000409244958	557027093	/nfs/dbraw/zinc/02/70/93/557027093.db2.gz	LFFZSAAJSLTQAL-YBFXNURJSA-N	0	2	445.435	3.372	40	10		IGCBLN
N#CCOc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000033621589	569259476	/nfs/dbraw/zinc/25/94/76/569259476.db2.gz	CFOPLGOKTXFSNV-ZROIWOOFSA-N	0	2	432.661	3.466	40	10		IGCBLN
C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000033458076	569259367	/nfs/dbraw/zinc/25/93/67/569259367.db2.gz	HVDRGUZFFSVOJP-GDNBJRDFSA-N	0	2	444.241	3.384	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNNc1ccc(Br)cc1	ZINC000016398888	527046198	/nfs/dbraw/zinc/04/61/98/527046198.db2.gz	WJHHAIAJQSKUMH-ZROIWOOFSA-N	0	2	435.665	3.390	40	10		IGCBLN
COC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cl	ZINC000408532198	555740529	/nfs/dbraw/zinc/74/05/29/555740529.db2.gz	PXHJBTJDIGKVPD-FMIVXFBMSA-N	0	2	434.235	3.359	40	10		IGCBLN
COc1cc(Br)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O	ZINC000408533540	555746951	/nfs/dbraw/zinc/74/69/51/555746951.db2.gz	SXOVWQRLXDXYPK-ZRDIBKRKSA-N	0	2	446.257	3.045	40	10		IGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C(=O)N3CCCCC3)cc2)C1=O	ZINC000408535990	555757748	/nfs/dbraw/zinc/75/77/48/555757748.db2.gz	VBZVCGBLZSFJNX-CAPFRKAQSA-N	0	2	446.507	3.454	40	10		IGCBLN
COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000032186349	556537178	/nfs/dbraw/zinc/53/71/78/556537178.db2.gz	BVSKYGDAOOXKOG-ZSOIEALJSA-N	0	2	445.269	3.441	40	10		IGCBLN
COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000016292725	556598391	/nfs/dbraw/zinc/59/83/91/556598391.db2.gz	VEBBTPIYMPIWSU-DHDCSXOGSA-N	0	2	445.269	3.441	40	10		IGCBLN
CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408800739	556858392	/nfs/dbraw/zinc/85/83/92/556858392.db2.gz	PATNGLZSAIAALO-LICLKQGHSA-N	0	2	425.397	3.059	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1	ZINC000408819570	556865684	/nfs/dbraw/zinc/86/56/84/556865684.db2.gz	XUJUIJCNGKJPNB-OQLLNIDSSA-N	0	2	430.844	3.422	40	10		IGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000408955257	556899141	/nfs/dbraw/zinc/89/91/41/556899141.db2.gz	UBEUNKHPVNOVHN-YBEGLDIGSA-N	0	2	447.359	3.250	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OC	ZINC000408989232	556912191	/nfs/dbraw/zinc/91/21/91/556912191.db2.gz	SQSGOTWPDHSSKH-AUWJEWJLSA-N	0	2	430.844	3.341	40	10		IGCBLN
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1	ZINC000409239158	557020353	/nfs/dbraw/zinc/02/03/53/557020353.db2.gz	GSHNUWZOSPIYEO-GXDHUFHOSA-N	0	2	430.844	3.341	40	10		IGCBLN
N#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	ZINC000035404762	569260223	/nfs/dbraw/zinc/26/02/23/569260223.db2.gz	XVLHUIUEKYGHGR-JYRVWZFOSA-N	0	2	432.661	3.466	40	10		IGCBLN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccco2)C1=O	ZINC000408535325	555761796	/nfs/dbraw/zinc/76/17/96/555761796.db2.gz	NPVLPHRSEAHEHW-SQFISAMPSA-N	0	2	432.388	3.174	40	10		IGCBLN
O=C1NC(=S)S/C1=C/c1cc(Br)c(O)c(I)c1	ZINC000408738250	556199978	/nfs/dbraw/zinc/19/99/78/556199978.db2.gz	SRXGALMCKZAICT-XVNBXDOJSA-N	0	2	442.097	3.248	40	10		IGCBLN
COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)c(OC)cc1Cl	ZINC000408789846	556856210	/nfs/dbraw/zinc/85/62/10/556856210.db2.gz	NUSRNZITRKGOEP-KPKJPENVSA-N	0	2	446.843	3.041	40	10		IGCBLN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(I)cc1	ZINC000408842789	556868131	/nfs/dbraw/zinc/86/81/31/556868131.db2.gz	BIRCKEZNYRSKBP-NTEUORMPSA-N	0	2	436.180	3.097	40	10		IGCBLN
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408913495	556889166	/nfs/dbraw/zinc/88/91/66/556889166.db2.gz	VEUOZEVYWRSDOD-RIYZIHGNSA-N	0	2	432.249	3.321	40	10		IGCBLN
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2	ZINC000408962923	556901615	/nfs/dbraw/zinc/90/16/15/556901615.db2.gz	LEJKWYYOBYXQMM-VGOFMYFVSA-N	0	2	429.226	3.153	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1	ZINC000409000023	556914065	/nfs/dbraw/zinc/91/40/65/556914065.db2.gz	WPDNTAXKUOQRPI-MOSHPQCFSA-N	0	2	445.479	3.136	40	10		IGCBLN
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409069542	556944314	/nfs/dbraw/zinc/94/43/14/556944314.db2.gz	LJLDVPNUTQQJPG-XDHOZWIPSA-N	0	2	425.872	3.151	40	10		IGCBLN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O	ZINC000108923585	569253136	/nfs/dbraw/zinc/25/31/36/569253136.db2.gz	BZOJCAAGTZDWRT-YBEGLDIGSA-N	0	2	428.828	3.330	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3ccccc3O)C2=O)c(C)cc1Br	ZINC000408531700	555734796	/nfs/dbraw/zinc/73/47/96/555734796.db2.gz	LGFFJTRWPPBUMM-FMIVXFBMSA-N	0	2	430.258	3.350	40	10		IGCBLN
COc1cc(Br)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408535368	555762644	/nfs/dbraw/zinc/76/26/44/555762644.db2.gz	SLETUTPFDIWOKW-JLHYYAGUSA-N	0	2	430.258	3.345	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1O	ZINC000016282162	556596491	/nfs/dbraw/zinc/59/64/91/556596491.db2.gz	KCWWAIHMCJUXNE-MDWZMJQESA-N	0	2	431.242	3.138	40	10		IGCBLN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl	ZINC000408804714	556860481	/nfs/dbraw/zinc/86/04/81/556860481.db2.gz	GVWCOMORAQTVTP-XNTDXEJSSA-N	0	2	428.828	3.192	40	10		IGCBLN
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000408893469	556881768	/nfs/dbraw/zinc/88/17/68/556881768.db2.gz	ASRWMUHURDUDTL-RIYZIHGNSA-N	0	2	431.788	3.019	40	10		IGCBLN
COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cccc1[N+](=O)[O-]	ZINC000408902359	556885243	/nfs/dbraw/zinc/88/52/43/556885243.db2.gz	HVVRHLXVTWAAHF-UKTHLTGXSA-N	0	2	446.213	3.032	40	10		IGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C2=O)cc1	ZINC000409044679	556930045	/nfs/dbraw/zinc/93/00/45/556930045.db2.gz	WQUHJHRPBIPYAG-RIYZIHGNSA-N	0	2	449.246	3.455	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	ZINC000409201821	557000892	/nfs/dbraw/zinc/00/08/92/557000892.db2.gz	OFJPRSZRGXGFFC-SFQUDFHCSA-N	0	2	439.424	3.449	40	10		IGCBLN
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1	ZINC000409242867	557032927	/nfs/dbraw/zinc/03/29/27/557032927.db2.gz	PKBAXJRICMXEJT-GZTJUZNOSA-N	0	2	437.253	3.301	40	10		IGCBLN
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000409393661	557097855	/nfs/dbraw/zinc/09/78/55/557097855.db2.gz	RXLHLYJVFPKRKL-UNOMPAQXSA-N	0	2	431.408	3.064	40	10		IGCBLN
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC#N	ZINC000108058620	569260819	/nfs/dbraw/zinc/26/08/19/569260819.db2.gz	RQMNMWUXWRZDEQ-GDNBJRDFSA-N	0	2	442.269	3.212	40	10		IGCBLN
COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000408549823	555830806	/nfs/dbraw/zinc/83/08/06/555830806.db2.gz	ZSUJLGMFJJMYQA-OQLLNIDSSA-N	0	2	445.269	3.441	40	10		IGCBLN
Cc1nn(C)c(C)c1N=CC1C(=O)N(c2ccc(I)cc2)N=C1C	ZINC000408755782	556238272	/nfs/dbraw/zinc/23/82/72/556238272.db2.gz	FLYCEBNBJVCVMT-OQLLNIDSSA-N	0	2	435.269	3.360	40	10		IGCBLN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000408757909	556587432	/nfs/dbraw/zinc/58/74/32/556587432.db2.gz	SCTJKEVNTQPJEA-UNOMPAQXSA-N	0	2	431.408	3.064	40	10		IGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(O)c1	ZINC000408896756	556881295	/nfs/dbraw/zinc/88/12/95/556881295.db2.gz	HVDNQXWKZUPQHD-ZSOIEALJSA-N	0	2	431.242	3.138	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000409101958	556956099	/nfs/dbraw/zinc/95/60/99/556956099.db2.gz	CBYDUDLHCMCJAK-ZRDIBKRKSA-N	0	2	436.251	3.089	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1C	ZINC000409186725	556991253	/nfs/dbraw/zinc/99/12/53/556991253.db2.gz	HACZOCOYMKKDNL-UDWIEESQSA-N	0	2	436.464	3.300	40	10		IGCBLN
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br	ZINC000409235958	557018262	/nfs/dbraw/zinc/01/82/62/557018262.db2.gz	QVFICAYLOAYJBC-RIYZIHGNSA-N	0	2	430.258	3.298	40	10		IGCBLN
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])c1	ZINC000107754175	569260505	/nfs/dbraw/zinc/26/05/05/569260505.db2.gz	NMJULKCHWUHBSK-YBEGLDIGSA-N	0	2	447.363	3.152	40	10		IGCBLN
CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2n(CC)c1=O	ZINC000408534081	555749415	/nfs/dbraw/zinc/74/94/15/555749415.db2.gz	UTDJUIQGANIKIK-QGOAFFKASA-N	0	2	447.495	3.038	40	10		IGCBLN
CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2n(CC)c1=O	ZINC000408536264	555759886	/nfs/dbraw/zinc/75/98/86/555759886.db2.gz	VOGCYHAHZBKPOA-LGMDPLHJSA-N	0	2	447.495	3.038	40	10		IGCBLN
CSc1nc(N)c(N=Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(=O)[nH]1	ZINC000017021142	556653408	/nfs/dbraw/zinc/65/34/08/556653408.db2.gz	KPYAVRQTZSHBFX-WCWDXBQESA-N	0	2	446.518	3.109	40	10		IGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000408803935	556860018	/nfs/dbraw/zinc/86/00/18/556860018.db2.gz	UYYWEWXGDFKPTE-LFIBNONCSA-N	0	2	428.828	3.192	40	10		IGCBLN
COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408940594	556896708	/nfs/dbraw/zinc/89/67/08/556896708.db2.gz	OGZRQXYSYUFLAE-NTEUORMPSA-N	0	2	446.213	3.032	40	10		IGCBLN
Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408999249	556913644	/nfs/dbraw/zinc/91/36/44/556913644.db2.gz	UFCKMICGVXQKTO-DEDYPNTBSA-N	0	2	429.480	3.435	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccccc3)C2=O)ccc1Br	ZINC000408527980	555713618	/nfs/dbraw/zinc/71/36/18/555713618.db2.gz	DTCSQNKVGWEXMF-GXDHUFHOSA-N	0	2	443.257	3.046	40	10		IGCBLN
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)c(C)c1	ZINC000408528770	555721906	/nfs/dbraw/zinc/72/19/06/555721906.db2.gz	IELPXKKIAGWOOY-NTEUORMPSA-N	0	2	439.384	3.007	40	10		IGCBLN
CCN(CC)C(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1	ZINC000408529427	555723222	/nfs/dbraw/zinc/72/32/22/555723222.db2.gz	JNQVTOLDBQCJLI-XMHGGMMESA-N	0	2	434.496	3.364	40	10		IGCBLN
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	ZINC000408530186	555726596	/nfs/dbraw/zinc/72/65/96/555726596.db2.gz	LMZKVPRVASOYMD-UVTDQMKNSA-N	0	2	440.847	3.157	40	10		IGCBLN
Cc1ccccc1NNC=C1C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O	ZINC000408534233	555750656	/nfs/dbraw/zinc/75/06/56/555750656.db2.gz	PTRNJCBDZGWJIL-GXDHUFHOSA-N	0	2	443.301	3.458	40	10		IGCBLN
C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1	ZINC000408710903	556118405	/nfs/dbraw/zinc/11/84/05/556118405.db2.gz	VQAVAIHNYSVFJH-YAFRSCOQSA-N	0	2	427.254	3.439	40	10		IGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)c1	ZINC000408742360	556215628	/nfs/dbraw/zinc/21/56/28/556215628.db2.gz	WFDNCFULSTXBCJ-XNTDXEJSSA-N	0	2	432.217	3.266	40	10		IGCBLN
COc1cccc(N2C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)NC2=S)c1	ZINC000032116794	556532811	/nfs/dbraw/zinc/53/28/11/556532811.db2.gz	JOCWMKFICHTULF-KMTKGMGQSA-N	0	2	434.477	3.249	40	10		IGCBLN
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000006088728	556828698	/nfs/dbraw/zinc/82/86/98/556828698.db2.gz	TXPRDAVLFFZHSQ-UHFFFAOYSA-N	0	2	438.417	3.180	40	10		IGCBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O	ZINC000408847850	556869612	/nfs/dbraw/zinc/86/96/12/556869612.db2.gz	WCARHXIPJRQQGJ-AWNIVKPZSA-N	0	2	445.815	3.327	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1O	ZINC000408895745	556880906	/nfs/dbraw/zinc/88/09/06/556880906.db2.gz	FLSZOWWFDFWGHR-JYRVWZFOSA-N	0	2	431.242	3.138	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000408947389	556898255	/nfs/dbraw/zinc/89/82/55/556898255.db2.gz	CHUZUQNBPFXUCM-VCHYOVAHSA-N	0	2	444.447	3.193	40	10		IGCBLN
Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1Cl	ZINC000001213135	557120308	/nfs/dbraw/zinc/12/03/08/557120308.db2.gz	BAMBZOKPMNUEFY-LICLKQGHSA-N	0	2	447.834	3.253	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1	ZINC000059417339	557822775	/nfs/dbraw/zinc/82/27/75/557822775.db2.gz	AKWQQWSRAIDFGV-XNTDXEJSSA-N	0	2	431.242	3.133	40	10		IGCBLN
CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033383504	569259211	/nfs/dbraw/zinc/25/92/11/569259211.db2.gz	CGGKOPCIVKEFSJ-JYRVWZFOSA-N	0	2	432.230	3.217	40	10		IGCBLN
C=CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033423015	569259265	/nfs/dbraw/zinc/25/92/65/569259265.db2.gz	ZAZNSDZMHKGSFO-ZROIWOOFSA-N	0	2	444.241	3.384	40	10		IGCBLN
CCOc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)sc2c1	ZINC000408535866	569584560	/nfs/dbraw/zinc/58/45/60/569584560.db2.gz	UFYCBBROGUWNLO-RVDMUPIBSA-N	0	2	436.493	3.891	40	10		IGCBLN
CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000408799312	556857727	/nfs/dbraw/zinc/85/77/27/556857727.db2.gz	KGHWRFWNENAWJF-XNTDXEJSSA-N	0	2	431.242	3.220	40	10		IGCBLN
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000408852132	556869824	/nfs/dbraw/zinc/86/98/24/556869824.db2.gz	CMAJVAQVQFIFAX-RMKNXTFCSA-N	0	2	438.248	3.439	40	10		IGCBLN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000408936721	556895900	/nfs/dbraw/zinc/89/59/00/556895900.db2.gz	HIRBFZCWVLHATR-LFIBNONCSA-N	0	2	425.397	3.059	40	10		IGCBLN
Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408998788	556913539	/nfs/dbraw/zinc/91/35/39/556913539.db2.gz	SFACBEVPXUICCI-DEDYPNTBSA-N	0	2	429.480	3.435	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1	ZINC000409188388	556988301	/nfs/dbraw/zinc/98/83/01/556988301.db2.gz	YVMKGDBJTNEQEO-DEDYPNTBSA-N	0	2	436.464	3.246	40	10		IGCBLN
CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1OCC	ZINC000409209345	556998554	/nfs/dbraw/zinc/99/85/54/556998554.db2.gz	DSGVPZPRNLMBDN-MHWRWJLKSA-N	0	2	438.436	3.269	40	10		IGCBLN
COc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	ZINC000408531348	555731739	/nfs/dbraw/zinc/73/17/39/555731739.db2.gz	KIJLVXBRCFZAGB-PKNBQFBNSA-N	0	2	449.250	3.290	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNNc1ccc(Br)cc1	ZINC000408532871	555745298	/nfs/dbraw/zinc/74/52/98/555745298.db2.gz	RJGAJUSBAYROPA-FMIVXFBMSA-N	0	2	435.665	3.186	40	10		IGCBLN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(O)ccc1Br	ZINC000032099600	556528823	/nfs/dbraw/zinc/52/88/23/556528823.db2.gz	YNWNIBKBUWGIPZ-JYRVWZFOSA-N	0	2	438.075	3.379	40	10		IGCBLN
COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000408790483	556856322	/nfs/dbraw/zinc/85/63/22/556856322.db2.gz	SCAMUWXWDSGOFH-RQZCQDPDSA-N	0	2	437.839	3.134	40	10		IGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1	ZINC000408795230	556856903	/nfs/dbraw/zinc/85/69/03/556856903.db2.gz	BRKQUKVHIKBRGI-CPNJWEJPSA-N	0	2	430.416	3.301	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1O	ZINC000408886738	556879324	/nfs/dbraw/zinc/87/93/24/556879324.db2.gz	IQRHEVFJNRQXNT-NTUHNPAUSA-N	0	2	445.269	3.447	40	10		IGCBLN
Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409067964	556942634	/nfs/dbraw/zinc/94/26/34/556942634.db2.gz	FAZKSUODRBXGLD-CPNJWEJPSA-N	0	2	425.872	3.151	40	10		IGCBLN
CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000409186890	556988074	/nfs/dbraw/zinc/98/80/74/556988074.db2.gz	JDSYIEUIJAIZQU-WOJGMQOQSA-N	0	2	442.855	3.337	40	10		IGCBLN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(OC)cc2Cl)C1=O	ZINC000409248137	557029248	/nfs/dbraw/zinc/02/92/48/557029248.db2.gz	GHBPSLOGBBKVEX-UKTHLTGXSA-N	0	2	430.844	3.422	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OC)c1OC	ZINC000409249833	557030175	/nfs/dbraw/zinc/03/01/75/557030175.db2.gz	LVDYDAGTNIZFFQ-JLHYYAGUSA-N	0	2	430.844	3.341	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1I	ZINC000108951461	569253272	/nfs/dbraw/zinc/25/32/72/569253272.db2.gz	CCCQLELOXNTKCH-MDWZMJQESA-N	0	2	436.180	3.097	40	10		IGCBLN
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC#N	ZINC000035251238	569260196	/nfs/dbraw/zinc/26/01/96/569260196.db2.gz	SQEAMUVPBGQEJD-GDNBJRDFSA-N	0	2	442.269	3.212	40	10		IGCBLN
CCOc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)sc2c1	ZINC000408532095	569584548	/nfs/dbraw/zinc/58/45/48/569584548.db2.gz	POQVPPOKVAFREP-ZRDIBKRKSA-N	0	2	442.884	3.927	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3ccccc3[N+](=O)[O-])C2=O)ccc1Br	ZINC000408532068	555739203	/nfs/dbraw/zinc/73/92/03/555739203.db2.gz	LWAXRSPMRNDEQL-FMIVXFBMSA-N	0	2	445.229	3.245	40	10		IGCBLN
CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2n(CC)c1=O	ZINC000408539513	555790159	/nfs/dbraw/zinc/79/01/59/555790159.db2.gz	WUDWSBHRFCZJNK-GHRIWEEISA-N	0	2	447.495	3.038	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000408758504	556679380	/nfs/dbraw/zinc/67/93/80/556679380.db2.gz	LERUWGOOVLAUMG-NTEUORMPSA-N	0	2	430.214	3.332	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O	ZINC000408879627	556876166	/nfs/dbraw/zinc/87/61/66/556876166.db2.gz	FOULOGPAJHDEQR-NTUHNPAUSA-N	0	2	445.269	3.447	40	10		IGCBLN
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000408877047	556876938	/nfs/dbraw/zinc/87/69/38/556876938.db2.gz	OWHGHWGKSRKEDK-CXUHLZMHSA-N	0	2	431.242	3.220	40	10		IGCBLN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000408903744	556886056	/nfs/dbraw/zinc/88/60/56/556886056.db2.gz	YFQOZGRNFFOJCQ-LFYBBSHMSA-N	0	2	449.644	3.498	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000408948755	556898553	/nfs/dbraw/zinc/89/85/53/556898553.db2.gz	GIERYTUEYGOTLM-VXLYETTFSA-N	0	2	445.431	3.195	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(C)=O	ZINC000408983310	556908325	/nfs/dbraw/zinc/90/83/25/556908325.db2.gz	LHOGBIJXETVODL-NVNXTCNLSA-N	0	2	428.828	3.249	40	10		IGCBLN
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408986006	556909210	/nfs/dbraw/zinc/90/92/10/556909210.db2.gz	LHTKPYDLNOZSLD-YVLHZVERSA-N	0	2	442.855	3.257	40	10		IGCBLN
O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1	ZINC000409055538	556938781	/nfs/dbraw/zinc/93/87/81/556938781.db2.gz	JCPNYBBZTXPFLF-RCCKNPSSSA-N	0	2	441.443	3.371	40	10		IGCBLN
COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)OCO2	ZINC000409070554	556944933	/nfs/dbraw/zinc/94/49/33/556944933.db2.gz	CCYFWECUYUYAFS-WCIBSUBMSA-N	0	2	435.219	3.397	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1O	ZINC000409106898	556959150	/nfs/dbraw/zinc/95/91/50/556959150.db2.gz	PVADVAQJVJDLDD-UXBLZVDNSA-N	0	2	437.235	3.383	40	10		IGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409214145	557008688	/nfs/dbraw/zinc/00/86/88/557008688.db2.gz	WOOIWZPAAPLWNS-KGENOOAVSA-N	0	2	442.475	3.464	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1N1CCOCC1	ZINC000409221144	557016521	/nfs/dbraw/zinc/01/65/21/557016521.db2.gz	LNCLEECZQNGFBC-GHRIWEEISA-N	0	2	439.899	3.460	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000409392703	557097150	/nfs/dbraw/zinc/09/71/50/557097150.db2.gz	NFFJOPXCHTZBHC-YBFXNURJSA-N	0	2	445.435	3.372	40	10		IGCBLN
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1	ZINC000409390268	557101411	/nfs/dbraw/zinc/10/14/11/557101411.db2.gz	DUHOEWQRUVHADJ-SFQUDFHCSA-N	0	2	437.253	3.301	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3nc(-c4ccccc4)cs3)C2=O)cc1	ZINC000408535350	569584581	/nfs/dbraw/zinc/58/45/81/569584581.db2.gz	SJJQXHOACDCGEL-SFQUDFHCSA-N	0	2	434.477	3.788	40	10		IGCBLN
CCCCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	ZINC000408533486	555746915	/nfs/dbraw/zinc/74/69/15/555746915.db2.gz	SMAXJWRBOAVJQH-SAPNQHFASA-N	0	2	437.452	3.231	40	10		IGCBLN
Cc1ccc(NC(=S)N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(C)c1	ZINC000408533766	555747865	/nfs/dbraw/zinc/74/78/65/555747865.db2.gz	PBQMYWMINXUHOU-JLHYYAGUSA-N	0	2	428.901	3.410	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccco1	ZINC000408537702	555782297	/nfs/dbraw/zinc/78/22/97/555782297.db2.gz	WSASNBQUTUYLEP-SFQUDFHCSA-N	0	2	446.415	3.482	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)ccc1Br	ZINC000408539263	555790236	/nfs/dbraw/zinc/79/02/36/555790236.db2.gz	UVBIFOMQOSHEQI-NTEUORMPSA-N	0	2	430.258	3.350	40	10		IGCBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1O	ZINC000016349472	556602066	/nfs/dbraw/zinc/60/20/66/556602066.db2.gz	YZNFFIKBLIQPDY-QPEQYQDCSA-N	0	2	431.242	3.138	40	10		IGCBLN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1OC	ZINC000408903395	556885778	/nfs/dbraw/zinc/88/57/78/556885778.db2.gz	SPXINHDXPJZXAG-GXDHUFHOSA-N	0	2	431.242	3.133	40	10		IGCBLN
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C	ZINC000408955083	556899047	/nfs/dbraw/zinc/89/90/47/556899047.db2.gz	VXXDUTDOCQFKIC-WOJGMQOQSA-N	0	2	429.432	3.489	40	10		IGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1	ZINC000409057051	556934462	/nfs/dbraw/zinc/93/44/62/556934462.db2.gz	OPTKNMDNTYQLEM-NTUHNPAUSA-N	0	2	449.246	3.455	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c(OC)c1	ZINC000409116157	556963160	/nfs/dbraw/zinc/96/31/60/556963160.db2.gz	LWMYOCZFZYFMJJ-LFIBNONCSA-N	0	2	439.443	3.110	40	10		IGCBLN
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000408757496	557233909	/nfs/dbraw/zinc/23/39/09/557233909.db2.gz	YJIMKOJRWNSRPE-XNTDXEJSSA-N	0	2	443.253	3.211	40	10		IGCBLN
COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC	ZINC000112290312	557238917	/nfs/dbraw/zinc/23/89/17/557238917.db2.gz	USCFQXWZXJSUGY-MOSHPQCFSA-N	0	2	425.416	3.264	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccco3)C2=O)cc1	ZINC000408528104	555724734	/nfs/dbraw/zinc/72/47/34/555724734.db2.gz	AUVARIBHHPQULA-LGMDPLHJSA-N	0	2	432.388	3.174	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNNc3ccc(Br)cc3C)C2=O)c(C)c1	ZINC000408534916	555755823	/nfs/dbraw/zinc/75/58/23/555755823.db2.gz	RSKMCTDLOWFLKZ-XNTDXEJSSA-N	0	2	443.301	3.458	40	10		IGCBLN
Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O	ZINC000016160801	556586128	/nfs/dbraw/zinc/58/61/28/556586128.db2.gz	GGQWQJQCGZUIEW-SXGWCWSVSA-N	0	2	425.242	3.051	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000408778347	556853771	/nfs/dbraw/zinc/85/37/71/556853771.db2.gz	DYYMSZZZMPCEJA-LDADJPATSA-N	0	2	430.376	3.449	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1	ZINC000408859024	556873079	/nfs/dbraw/zinc/87/30/79/556873079.db2.gz	SBKPYAYSIQLKTD-FMIVXFBMSA-N	0	2	448.248	3.448	40	10		IGCBLN
CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1	ZINC000408865586	556873296	/nfs/dbraw/zinc/87/32/96/556873296.db2.gz	CYMHVTLNACMALB-LICLKQGHSA-N	0	2	428.828	3.192	40	10		IGCBLN
COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C	ZINC000408967110	556903251	/nfs/dbraw/zinc/90/32/51/556903251.db2.gz	SHNBYLMBDZIBPC-GZTJUZNOSA-N	0	2	446.301	3.180	40	10		IGCBLN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)OC(C)C)cc2)C1=O	ZINC000409188432	556988619	/nfs/dbraw/zinc/98/86/19/556988619.db2.gz	ZDQLTHWOTKIRLV-CPNJWEJPSA-N	0	2	436.464	3.246	40	10		IGCBLN
O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccccc1	ZINC000109122674	569261088	/nfs/dbraw/zinc/26/10/88/569261088.db2.gz	IXFRTQGWLYTHMM-RGEXLXHISA-N	0	2	429.388	3.275	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=CNC(=S)Nc3cccc4ccccc43)C2=O)cc1	ZINC000408527498	555717801	/nfs/dbraw/zinc/71/78/01/555717801.db2.gz	DPGBTQGLBJLQNZ-AQTBWJFISA-N	0	2	446.488	3.302	40	10		IGCBLN
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000408945087	556897423	/nfs/dbraw/zinc/89/74/23/556897423.db2.gz	VVBGRPJIEXDHAB-RIYZIHGNSA-N	0	2	445.815	3.322	40	10		IGCBLN
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000408956431	556900302	/nfs/dbraw/zinc/90/03/02/556900302.db2.gz	WSQVIUJYHAWESE-GDNBJRDFSA-N	0	2	447.359	3.250	40	10		IGCBLN
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409099371	556954577	/nfs/dbraw/zinc/95/45/77/556954577.db2.gz	QSQMPEWFEBAHDB-NTCAYCPXSA-N	0	2	446.290	3.496	40	10		IGCBLN
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1	ZINC000005009026	569155547	/nfs/dbraw/zinc/15/55/47/569155547.db2.gz	APZZYAUOTRCZTE-UHFFFAOYSA-N	0	2	433.467	3.196	40	10		IGCBLN
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	ZINC000033793071	569259910	/nfs/dbraw/zinc/25/99/10/569259910.db2.gz	VBKMWZVYKYKKOO-ATVHPVEESA-N	0	2	432.392	3.252	40	10		IGCBLN
C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc2O1	ZINC000408710902	556118384	/nfs/dbraw/zinc/11/83/84/556118384.db2.gz	VQAVAIHNYSVFJH-HPUUJOOBSA-N	0	2	427.254	3.439	40	10		IGCBLN
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1	ZINC000408951052	556897828	/nfs/dbraw/zinc/89/78/28/556897828.db2.gz	HPXKHBAQHNINOT-WOJGMQOQSA-N	0	2	429.432	3.489	40	10		IGCBLN
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000409091898	556952065	/nfs/dbraw/zinc/95/20/65/556952065.db2.gz	VPHDIVGDRPSSPI-LICLKQGHSA-N	0	2	439.443	3.110	40	10		IGCBLN
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409098752	556954349	/nfs/dbraw/zinc/95/43/49/556954349.db2.gz	PDXZNPKLBDOZOI-LFIBNONCSA-N	0	2	446.290	3.496	40	10		IGCBLN
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409390405	557095130	/nfs/dbraw/zinc/09/51/30/557095130.db2.gz	FGNYHLUFUYSCPN-QGOAFFKASA-N	0	2	431.404	3.185	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1C	ZINC000059336689	557822171	/nfs/dbraw/zinc/82/21/71/557822171.db2.gz	PNAHURSTOWSUCP-NSIKDUERSA-N	0	2	443.253	3.461	40	10		IGCBLN
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408754867	556237597	/nfs/dbraw/zinc/23/75/97/556237597.db2.gz	ABTWIBFXISJODE-XDHOZWIPSA-N	0	2	445.435	3.372	40	10		IGCBLN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OC(C)C)c1	ZINC000408807121	556859241	/nfs/dbraw/zinc/85/92/41/556859241.db2.gz	KHUHVZVUWDCQQN-RQZCQDPDSA-N	0	2	425.397	3.057	40	10		IGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC	ZINC000408848388	556869563	/nfs/dbraw/zinc/86/95/63/556869563.db2.gz	YLOOPABXRAQMKC-RIYZIHGNSA-N	0	2	449.232	3.272	40	10		IGCBLN
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	ZINC000408904067	556883582	/nfs/dbraw/zinc/88/35/82/556883582.db2.gz	DEJFCGUHJUTBGW-BJMVGYQFSA-N	0	2	438.248	3.439	40	10		IGCBLN
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000409106580	556958896	/nfs/dbraw/zinc/95/88/96/556958896.db2.gz	OCVIEXWPJKLSLK-XNTDXEJSSA-N	0	2	430.844	3.422	40	10		IGCBLN
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1	ZINC000409232401	557024333	/nfs/dbraw/zinc/02/43/33/557024333.db2.gz	OSUMINKXTXCBJR-LDADJPATSA-N	0	2	431.404	3.185	40	10		IGCBLN
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000059135203	557815029	/nfs/dbraw/zinc/81/50/29/557815029.db2.gz	CINKBQMUJMPAAW-MHWRWJLKSA-N	0	2	442.399	3.283	40	10		IGCBLN
O=C(Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccccc1	ZINC000033670883	569259623	/nfs/dbraw/zinc/25/96/23/569259623.db2.gz	APRRSHBNUXEUMB-JXAWBTAJSA-N	0	2	429.388	3.275	40	10		IGCBLN
CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000033864275	569259935	/nfs/dbraw/zinc/25/99/35/569259935.db2.gz	ICPVUHXMBYGEOQ-ZSOIEALJSA-N	0	2	435.661	3.489	40	10		IGCBLN
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cn1	ZINC000033793072	569259971	/nfs/dbraw/zinc/25/99/71/569259971.db2.gz	VBKMWZVYKYKKOO-SFQUDFHCSA-N	0	2	432.392	3.252	40	10		IGCBLN
CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2n(CC)c1=O	ZINC000408527188	555716977	/nfs/dbraw/zinc/71/69/77/555716977.db2.gz	FJAKEOZMLPHHNL-GHRIWEEISA-N	0	2	447.495	3.038	40	10		IGCBLN
Cc1c(C)c(N2C(=O)NC(=O)C(=CNCCc3ccccc3)C2=O)ccc1Br	ZINC000408532317	555741416	/nfs/dbraw/zinc/74/14/16/555741416.db2.gz	QGIAPBTURGCIEV-FOWTUZBSSA-N	0	2	442.313	3.365	40	10		IGCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000408534357	555750798	/nfs/dbraw/zinc/75/07/98/555750798.db2.gz	QOYARWGWHVUQPV-NTEUORMPSA-N	0	2	445.229	3.245	40	10		IGCBLN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(O)c1	ZINC000408894351	556880410	/nfs/dbraw/zinc/88/04/10/556880410.db2.gz	CEQYMLDJIVVEAF-ZSOIEALJSA-N	0	2	431.242	3.138	40	10		IGCBLN
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OC	ZINC000408913601	556889366	/nfs/dbraw/zinc/88/93/66/556889366.db2.gz	MIYQKZQFIGOYSQ-VGOFMYFVSA-N	0	2	449.232	3.272	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C)cn1	ZINC000408947381	556898317	/nfs/dbraw/zinc/89/83/17/556898317.db2.gz	CHDWSOCVQAFQIC-GIJQJNRQSA-N	0	2	444.447	3.193	40	10		IGCBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)cc3Br)C2=O)cc1	ZINC000408982513	556907957	/nfs/dbraw/zinc/90/79/57/556907957.db2.gz	HLXWBTYNFRDMOI-ZSOIEALJSA-N	0	2	445.269	3.392	40	10		IGCBLN
O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1	ZINC000409042270	556929433	/nfs/dbraw/zinc/92/94/33/556929433.db2.gz	MBPZHYWARDPSEL-HMMYKYKNSA-N	0	2	441.443	3.371	40	10		IGCBLN
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000409101363	556955794	/nfs/dbraw/zinc/95/57/94/556955794.db2.gz	XXJCNLIPXDXUTA-LDADJPATSA-N	0	2	435.480	3.279	40	10		IGCBLN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1C	ZINC000409186605	556991149	/nfs/dbraw/zinc/99/11/49/556991149.db2.gz	FLLVPABZPHSOQT-XDHOZWIPSA-N	0	2	436.464	3.300	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)cc1	ZINC000409198336	556995449	/nfs/dbraw/zinc/99/54/49/556995449.db2.gz	CUQUGLJHSBGGKX-TTYLXTBDSA-N	0	2	437.496	3.349	40	10		IGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409199759	556998958	/nfs/dbraw/zinc/99/89/58/556998958.db2.gz	DGDFBKSOZYHSSV-KGENOOAVSA-N	0	2	442.475	3.464	40	10		IGCBLN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409213585	557008169	/nfs/dbraw/zinc/00/81/69/557008169.db2.gz	UWOMHLYGYDYINF-XSFVSMFZSA-N	0	2	442.475	3.464	40	10		IGCBLN
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1	ZINC000103919090	557140784	/nfs/dbraw/zinc/14/07/84/557140784.db2.gz	RHURLANDHUBRFY-UYRXBGFRSA-N	0	2	443.485	3.131	40	10		IGCBLN
CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(N)(=O)=O)cc1	ZINC000103919090	557140786	/nfs/dbraw/zinc/14/07/86/557140786.db2.gz	RHURLANDHUBRFY-UYRXBGFRSA-N	0	2	443.485	3.131	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000013381982	132346866	/nfs/dbraw/zinc/34/68/66/132346866.db2.gz	KVQDZNMWTYNTQN-HKWRFOASSA-N	0	2	432.480	3.200	40	10		IGCBLN
CCN(CC)C(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000408526785	555716005	/nfs/dbraw/zinc/71/60/05/555716005.db2.gz	CLLPVSYYPITHJG-DTQAZKPQSA-N	0	2	440.887	3.401	40	10		IGCBLN
COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(OC)cc1Cl	ZINC000408785832	556855843	/nfs/dbraw/zinc/85/58/43/556855843.db2.gz	ZTNRLLHBUGWPCH-NTEUORMPSA-N	0	2	429.860	3.090	40	10		IGCBLN
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000408802312	556859466	/nfs/dbraw/zinc/85/94/66/556859466.db2.gz	YYLMJWDVYOFTHM-VGOFMYFVSA-N	0	2	445.815	3.322	40	10		IGCBLN
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000408804742	556860459	/nfs/dbraw/zinc/86/04/59/556860459.db2.gz	HBIJSYUVTZAXEY-OQLLNIDSSA-N	0	2	430.844	3.422	40	10		IGCBLN
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000408817694	556864275	/nfs/dbraw/zinc/86/42/75/556864275.db2.gz	WVZZKTHGZOOIKT-CPNJWEJPSA-N	0	2	431.448	3.179	40	10		IGCBLN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)cc1	ZINC000409042563	556929523	/nfs/dbraw/zinc/92/95/23/556929523.db2.gz	NJBFRFJCBBKDBT-NTUHNPAUSA-N	0	2	435.219	3.152	40	10		IGCBLN
COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)OCO2	ZINC000409069610	556944263	/nfs/dbraw/zinc/94/42/63/556944263.db2.gz	LYCRXHPOFQVNPP-WCIBSUBMSA-N	0	2	435.219	3.397	40	10		IGCBLN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000409071114	556945319	/nfs/dbraw/zinc/94/53/19/556945319.db2.gz	NIYCKFWJNPFPOY-HMMYKYKNSA-N	0	2	448.456	3.121	40	10		IGCBLN
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000409100073	556954971	/nfs/dbraw/zinc/95/49/71/556954971.db2.gz	PQLYUSVRVFDIEA-LDADJPATSA-N	0	2	435.480	3.279	40	10		IGCBLN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000409222630	557017457	/nfs/dbraw/zinc/01/74/57/557017457.db2.gz	COCZJXJOYDANSA-VXLYETTFSA-N	0	2	445.435	3.372	40	10		IGCBLN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)cc1	ZINC000409254330	557034160	/nfs/dbraw/zinc/03/41/60/557034160.db2.gz	WVRWHRYFLVLRTC-XSFVSMFZSA-N	0	2	435.480	3.361	40	10		IGCBLN
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1	ZINC000409394038	557098097	/nfs/dbraw/zinc/09/80/97/557098097.db2.gz	USDJJHBFGKZHGV-SFQUDFHCSA-N	0	2	437.253	3.301	40	10		IGCBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1C	ZINC000100101818	557240475	/nfs/dbraw/zinc/24/04/75/557240475.db2.gz	IQEMFRBMRQXFRO-UNOMPAQXSA-N	0	2	436.512	3.038	40	10		IGCBLN
CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	ZINC000034909767	569260097	/nfs/dbraw/zinc/26/00/97/569260097.db2.gz	VIAYLLJMBDUDJN-QPEQYQDCSA-N	0	2	435.661	3.489	40	10		IGCBLN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408528202	555725091	/nfs/dbraw/zinc/72/50/91/555725091.db2.gz	FOMYLFKFTQTMRW-GXDHUFHOSA-N	0	2	430.804	3.226	40	10		IGCBLN
CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408532517	555728725	/nfs/dbraw/zinc/72/87/25/555728725.db2.gz	IHVGNLQYLSRUTR-YBEGLDIGSA-N	0	2	443.253	3.349	40	10		IGCBLN
CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNNc2ccccc2)C1=O	ZINC000408531523	555733417	/nfs/dbraw/zinc/73/34/17/555733417.db2.gz	KQDKNUOIWAFSJE-RVDMUPIBSA-N	0	2	429.274	3.095	40	10		IGCBLN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000408536679	555773919	/nfs/dbraw/zinc/77/39/19/555773919.db2.gz	XGMOPFLUAVNZLZ-RVDMUPIBSA-N	0	2	447.363	3.235	40	10		IGCBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C	ZINC000408797179	556857639	/nfs/dbraw/zinc/85/76/39/556857639.db2.gz	BONGRKMLSKCJSF-CXUHLZMHSA-N	0	2	425.397	3.057	40	10		IGCBLN
CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000408809625	556861775	/nfs/dbraw/zinc/86/17/75/556861775.db2.gz	IAQNRWCGWYWFIP-XNTDXEJSSA-N	0	2	428.828	3.192	40	10		IGCBLN
CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O	ZINC000408834676	556866998	/nfs/dbraw/zinc/86/69/98/556866998.db2.gz	UYXADHQOVJFSBB-UKTHLTGXSA-N	0	2	430.844	3.422	40	10		IGCBLN
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000408842771	556868116	/nfs/dbraw/zinc/86/81/16/556868116.db2.gz	BFDQYFIFBGGNCL-NTEUORMPSA-N	0	2	432.249	3.321	40	10		IGCBLN
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O	ZINC000408915570	556890299	/nfs/dbraw/zinc/89/02/99/556890299.db2.gz	YBSNEKWODMRRPB-VGOFMYFVSA-N	0	2	449.232	3.359	40	10		IGCBLN
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)c(C)c1	ZINC000409391211	557095838	/nfs/dbraw/zinc/09/58/38/557095838.db2.gz	HZGBNHZHLKEOJO-LDADJPATSA-N	0	2	431.404	3.103	40	10		IGCBLN