smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408815464 231118804 /nfs/dbraw/zinc/11/88/04/231118804.db2.gz WWTVXYRVULNQHB-FOWTUZBSSA-N 0 2 394.383 2.538 40 10 GFCBLN CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408962776 529547125 /nfs/dbraw/zinc/54/71/25/529547125.db2.gz UWELSTBQTBTKMX-GXDHUFHOSA-N 0 2 388.221 2.937 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1OC(C)C ZINC000409393822 533473346 /nfs/dbraw/zinc/47/33/46/533473346.db2.gz SNHVCFSFCLWQOQ-XNTDXEJSSA-N 0 2 381.388 2.544 40 10 GFCBLN COc1ccc(OC)c(N2C(=O)NC(=O)C(=CC=Cc3ccccc3)C2=O)c1 ZINC000016215315 570918176 /nfs/dbraw/zinc/91/81/76/570918176.db2.gz PMJKBRXAQFHMEL-CNFVKKRWSA-N 0 2 378.384 2.926 40 10 GFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000006216066 204171743 /nfs/dbraw/zinc/17/17/43/204171743.db2.gz RKRBGNPPERXRFS-DHDCSXOGSA-N 0 2 381.344 2.578 40 10 GFCBLN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cccc1OC ZINC000409394156 529186704 /nfs/dbraw/zinc/18/67/04/529186704.db2.gz WPKTYYCJMKJGGT-HKJJFUAXSA-N 0 2 395.415 2.934 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1O ZINC000408913225 533472688 /nfs/dbraw/zinc/47/26/88/533472688.db2.gz UFBLVSASSUXKHN-LFYBBSHMSA-N 0 2 390.754 2.860 40 10 GFCBLN COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000408774279 570682675 /nfs/dbraw/zinc/68/26/75/570682675.db2.gz YVEXSYKTUFIECL-GZTJUZNOSA-N 0 2 380.400 2.987 40 10 GFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(OC)c1 ZINC000409393664 528293618 /nfs/dbraw/zinc/29/36/18/528293618.db2.gz RXSVKSVFNKDTFJ-SFQUDFHCSA-N 0 2 394.431 2.603 40 10 GFCBLN CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408803370 528634859 /nfs/dbraw/zinc/63/48/59/528634859.db2.gz OCEOXIVCBATOIO-GZTJUZNOSA-N 0 2 396.399 2.856 40 10 GFCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O ZINC000059105130 570649833 /nfs/dbraw/zinc/64/98/33/570649833.db2.gz ZNIIJFBFUNPUAD-WUXMJOGZSA-N 0 2 382.328 2.636 40 10 GFCBLN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)N1 ZINC000003038094 570722950 /nfs/dbraw/zinc/72/29/50/570722950.db2.gz IWFYWHXEKOKSFR-UHFFFAOYSA-N 0 2 389.987 2.507 40 10 GFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(C)(C)C)C2=O)ccc1Br ZINC000408528148 231049891 /nfs/dbraw/zinc/04/98/91/231049891.db2.gz FIJYJZMKNMJEKE-DHZHZOJOSA-N 0 2 380.242 2.612 40 10 GFCBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])c1 ZINC000408528589 231051738 /nfs/dbraw/zinc/05/17/38/231051738.db2.gz HXIKYUSDZVQOJV-JLHYYAGUSA-N 0 2 380.360 2.790 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000409392464 231200520 /nfs/dbraw/zinc/20/05/20/231200520.db2.gz MTAPBGCCVVJPCA-DTQAZKPQSA-N 0 2 380.404 2.721 40 10 GFCBLN CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(F)cc3)C1=O)OCO2 ZINC000408967554 528338145 /nfs/dbraw/zinc/33/81/45/528338145.db2.gz VSRQMTBXAQBOSZ-VGOFMYFVSA-N 0 2 398.346 2.620 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CC)C2=O)c(OCC)c1 ZINC000408935150 570686734 /nfs/dbraw/zinc/68/67/34/570686734.db2.gz MRTBTVCTXBDRHB-FOWTUZBSSA-N 0 2 397.431 2.972 40 10 GFCBLN COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1O ZINC000000903959 570711283 /nfs/dbraw/zinc/71/12/83/570711283.db2.gz PJHOTFVVLSMCNG-NTUHNPAUSA-N 0 2 378.306 2.881 40 10 GFCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408532472 528445383 /nfs/dbraw/zinc/44/53/83/528445383.db2.gz IEXPNZINLAXYEU-QINSGFPZSA-N 0 2 378.384 2.977 40 10 GFCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408536994 528445970 /nfs/dbraw/zinc/44/59/70/528445970.db2.gz UHAVSCRWPBHKBE-VBKFSLOCSA-N 0 2 378.384 2.977 40 10 GFCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408537995 528445569 /nfs/dbraw/zinc/44/55/69/528445569.db2.gz YGPVXOYTRCSETP-VBKFSLOCSA-N 0 2 378.384 2.977 40 10 GFCBLN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1O ZINC000058865913 570648753 /nfs/dbraw/zinc/64/87/53/570648753.db2.gz ZFIIVSGZKDBVKU-UHFFFAOYSA-N 0 2 398.165 2.817 40 10 GFCBLN Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408527574 231050142 /nfs/dbraw/zinc/05/01/42/231050142.db2.gz DQWGRRIHIIBKPL-GZTJUZNOSA-N 0 2 392.415 2.900 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000408814723 231117556 /nfs/dbraw/zinc/11/75/56/231117556.db2.gz SAGVSMBGEKTNIO-LICLKQGHSA-N 0 2 380.400 2.987 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OC(C)C ZINC000408800011 533473019 /nfs/dbraw/zinc/47/30/19/533473019.db2.gz MRRXWQNCAVXRAY-MHWRWJLKSA-N 0 2 396.399 2.854 40 10 GFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000006405175 136196890 /nfs/dbraw/zinc/19/68/90/136196890.db2.gz OZPPTEYGHIKAKC-RGEXLXHISA-N 0 2 391.427 2.962 40 10 GFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408868638 534185354 /nfs/dbraw/zinc/18/53/54/534185354.db2.gz PGJTVMWNZIXHAO-XNTDXEJSSA-N 0 2 384.775 2.793 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000408797052 528369165 /nfs/dbraw/zinc/36/91/65/528369165.db2.gz FOGCGLJPFWMXKD-SFQUDFHCSA-N 0 2 394.383 2.538 40 10 GFCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408948950 231133915 /nfs/dbraw/zinc/13/39/15/231133915.db2.gz HMUXYUYRQLNUEQ-PCSFBJKQSA-N 0 2 392.367 2.647 40 10 GFCBLN Cc1cc([N-]S(=O)(=O)c2ccc(/N=N\c3ccc(N)[nH+]c3N)cc2)nc(C)n1 ZINC000104091048 208430887 /nfs/dbraw/zinc/43/08/87/208430887.db2.gz OFOOAZCHCVNSOV-VHXPQNKSSA-N 0 2 398.452 2.869 40 10 GFCBLN CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408956479 534180923 /nfs/dbraw/zinc/18/09/23/534180923.db2.gz XHGQVWHXCVCFOX-RIYZIHGNSA-N 0 2 382.397 2.804 40 10 GFCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccncc3)C2=O)ccc1Br ZINC000408765770 231112902 /nfs/dbraw/zinc/11/29/02/231112902.db2.gz QEDWPCGTOIPPFO-UKTHLTGXSA-N 0 2 386.205 2.819 40 10 GFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3OC)C2=O)cc1 ZINC000408983010 529662152 /nfs/dbraw/zinc/66/21/52/529662152.db2.gz JPWHWBKHJUXWMC-VBKFSLOCSA-N 0 2 380.400 2.933 40 10 GFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000001225745 136196132 /nfs/dbraw/zinc/19/61/32/136196132.db2.gz FGVITPHVHAVZED-SFQUDFHCSA-N 0 2 394.383 2.538 40 10 GFCBLN O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Br)cc(Br)c2O)S1 ZINC000408980083 534525947 /nfs/dbraw/zinc/52/59/47/534525947.db2.gz UNRSHSKAEAKKSO-CBAPKCEASA-N 0 2 383.061 2.705 40 10 GFCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408867095 528367997 /nfs/dbraw/zinc/36/79/97/528367997.db2.gz ISOGUHRDPVLITB-RAXLEYEMSA-N 0 2 384.363 2.899 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1 ZINC000408740426 528482509 /nfs/dbraw/zinc/48/25/09/528482509.db2.gz KLOAJTQUYLQJEA-GZTJUZNOSA-N 0 2 396.399 2.769 40 10 GFCBLN COc1c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000408898379 231126045 /nfs/dbraw/zinc/12/60/45/231126045.db2.gz LWFRIWOXSIKGNK-XNTDXEJSSA-N 0 2 395.371 2.887 40 10 GFCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3OC)C2=O)c1C ZINC000409073149 231154784 /nfs/dbraw/zinc/15/47/84/231154784.db2.gz PFDUTBGBSOVCDJ-MHWRWJLKSA-N 0 2 397.431 2.808 40 10 GFCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000408548606 533565512 /nfs/dbraw/zinc/56/55/12/533565512.db2.gz JQMFKCHIUBKJEB-UKTHLTGXSA-N 0 2 384.363 2.818 40 10 GFCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O ZINC000408910945 533943929 /nfs/dbraw/zinc/94/39/29/533943929.db2.gz MDDUEWYWFWKDEA-AWNIVKPZSA-N 0 2 390.754 2.860 40 10 GFCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409389547 529191950 /nfs/dbraw/zinc/19/19/50/529191950.db2.gz BYVKNWFLDMQQKV-XDUBLRSXSA-N 0 2 395.415 2.934 40 10 GFCBLN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N1 ZINC000035183132 570550377 /nfs/dbraw/zinc/55/03/77/570550377.db2.gz FKRQVLHOSPCWJE-INIZCTEOSA-N 0 2 384.417 2.732 40 10 GFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000408901094 231127072 /nfs/dbraw/zinc/12/70/72/231127072.db2.gz VLGLEAKRWDCDDH-NTEUORMPSA-N 0 2 384.775 2.778 40 10 GFCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000016195985 207074113 /nfs/dbraw/zinc/07/41/13/207074113.db2.gz WHRCEVCDNMVLAE-QPEQYQDCSA-N 0 2 383.316 2.816 40 10 GFCBLN CCN(/C=C1/C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O)CC ZINC000019596850 207143062 /nfs/dbraw/zinc/14/30/62/207143062.db2.gz SPYAJQIURBVZNE-XFXZXTDPSA-N 0 2 394.269 2.874 40 10 GFCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000408844206 533944437 /nfs/dbraw/zinc/94/44/37/533944437.db2.gz CNLDAYBECKZFMA-NTUHNPAUSA-N 0 2 390.754 2.860 40 10 GFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1 ZINC000408874408 528226564 /nfs/dbraw/zinc/22/65/64/528226564.db2.gz BCZJJYMGIRGFIQ-SFQUDFHCSA-N 0 2 394.383 2.538 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OCC ZINC000409390276 528368915 /nfs/dbraw/zinc/36/89/15/528368915.db2.gz DUSUBNKWPONBGH-RVDMUPIBSA-N 0 2 381.388 2.545 40 10 GFCBLN O=C1C=C(NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)C=NC1=O ZINC000104124150 570298028 /nfs/dbraw/zinc/29/80/28/570298028.db2.gz NEDXOHQWXCBBIV-MSUUIHNZSA-N 0 2 378.395 2.561 40 10 GFCBLN COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408900066 231125944 /nfs/dbraw/zinc/12/59/44/231125944.db2.gz RGMABCFMJLSVSS-XNTDXEJSSA-N 0 2 381.344 2.578 40 10 GFCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408807766 231116826 /nfs/dbraw/zinc/11/68/26/231116826.db2.gz HOOCMXBYVKJAJR-XNTDXEJSSA-N 0 2 381.344 2.660 40 10 GFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1 ZINC000013424461 136200977 /nfs/dbraw/zinc/20/09/77/136200977.db2.gz RLDLIZZXZODLLL-FOWTUZBSSA-N 0 2 383.404 2.801 40 10 GFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC ZINC000408883749 528194144 /nfs/dbraw/zinc/19/41/44/528194144.db2.gz VWDLCQKIAZUUHC-RAXLEYEMSA-N 0 2 384.363 2.899 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3OC)C2=O)cc1 ZINC000408539830 528482917 /nfs/dbraw/zinc/48/29/17/528482917.db2.gz ZHRLKNFZPHYDBS-NTCAYCPXSA-N 0 2 381.388 2.673 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000005475580 570441297 /nfs/dbraw/zinc/44/12/97/570441297.db2.gz SYYIIHYXYDSMEH-WJDWOHSUSA-N 0 2 381.344 2.660 40 10 GFCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000409018417 231147539 /nfs/dbraw/zinc/14/75/39/231147539.db2.gz MAVHNDOTXANGHA-FOWTUZBSSA-N 0 2 391.358 2.988 40 10 GFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2OC)C1=O ZINC000409237354 231185474 /nfs/dbraw/zinc/18/54/74/231185474.db2.gz IHLPQQHECKYNEQ-RVDMUPIBSA-N 0 2 396.399 2.769 40 10 GFCBLN Cc1nnc([N-]S(=O)(=O)c2ccc(/N=N\c3ccc(N)[nH+]c3N)cc2)s1 ZINC000084460277 211169091 /nfs/dbraw/zinc/16/90/91/211169091.db2.gz VCDGNEYCVAHPRG-VXPUYCOJSA-N 0 2 390.454 2.622 40 10 GFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 ZINC000408710772 533997436 /nfs/dbraw/zinc/99/74/36/533997436.db2.gz JUWRKZLLBPOCIF-OOIIIRTPSA-N 0 2 378.384 2.685 40 10 GFCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408805451 528334193 /nfs/dbraw/zinc/33/41/93/528334193.db2.gz BBYPQKPCNDAOJK-GZTJUZNOSA-N 0 2 396.399 2.769 40 10 GFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc4nsnc43)C2=O)c(C)c1 ZINC000408535045 231053772 /nfs/dbraw/zinc/05/37/72/231053772.db2.gz XHZPBWLDQPPEQM-FMIVXFBMSA-N 0 2 393.428 2.887 40 10 GFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3O)C2=O)c1 ZINC000408895728 231126173 /nfs/dbraw/zinc/12/61/73/231126173.db2.gz FJLDKECSLGMZCL-OQLLNIDSSA-N 0 2 381.344 2.584 40 10 GFCBLN COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408847736 534223496 /nfs/dbraw/zinc/22/34/96/534223496.db2.gz OKXWZRIFDPKDGM-GZTJUZNOSA-N 0 2 380.400 2.987 40 10 GFCBLN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc([N+](=O)[O-])c1O ZINC000409126890 533474878 /nfs/dbraw/zinc/47/48/78/533474878.db2.gz GGKKJPQNIDCPOO-ZROIWOOFSA-N 0 2 399.384 2.709 40 10 GFCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)C(=O)N1 ZINC000104124277 570298004 /nfs/dbraw/zinc/29/80/04/570298004.db2.gz NROMRKZIGPCMFE-MSUUIHNZSA-N 0 2 378.395 2.561 40 10 GFCBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000408756717 570544669 /nfs/dbraw/zinc/54/46/69/570544669.db2.gz JDGWFZMOUBHCKU-MHWRWJLKSA-N 0 2 381.436 2.715 40 10 GFCBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1C ZINC000408756657 570546094 /nfs/dbraw/zinc/54/60/94/570546094.db2.gz IUKBEHLHDIEPIY-XNTDXEJSSA-N 0 2 381.436 2.715 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OC(C)C)c1 ZINC000408819055 231118393 /nfs/dbraw/zinc/11/83/93/231118393.db2.gz WMTAYUZWHGHXDN-LICLKQGHSA-N 0 2 396.399 2.854 40 10 GFCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3F)C1=O)OCO2 ZINC000409108579 528338035 /nfs/dbraw/zinc/33/80/35/528338035.db2.gz WZSGCVRDRWOSPP-GHXNOFRVSA-N 0 2 398.346 2.620 40 10 GFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1 ZINC000408893439 528696001 /nfs/dbraw/zinc/69/60/01/528696001.db2.gz AODPXVKVORZXLJ-BOPFTXTBSA-N 0 2 396.399 2.856 40 10 GFCBLN COC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000059135659 570650278 /nfs/dbraw/zinc/65/02/78/570650278.db2.gz ORDGFCCHTRJJQF-XNTDXEJSSA-N 0 2 398.346 2.884 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408935336 570686720 /nfs/dbraw/zinc/68/67/20/570686720.db2.gz CXUAFIAZUFIYBO-LFIBNONCSA-N 0 2 381.344 2.660 40 10 GFCBLN Cc1cc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1[N+](=O)[O-] ZINC000408533891 231053078 /nfs/dbraw/zinc/05/30/78/231053078.db2.gz PLSDKPRFELIVJQ-GXDHUFHOSA-N 0 2 380.360 2.790 40 10 GFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000408872753 231123361 /nfs/dbraw/zinc/12/33/61/231123361.db2.gz IEPFOSYXKURQLU-NTEUORMPSA-N 0 2 387.189 2.821 40 10 GFCBLN CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408876713 528333761 /nfs/dbraw/zinc/33/37/61/528333761.db2.gz QIEMZFCXPZTDHF-UVTDQMKNSA-N 0 2 384.363 2.899 40 10 GFCBLN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C ZINC000059426362 570657048 /nfs/dbraw/zinc/65/70/48/570657048.db2.gz TWMLUICGRWTGRI-RIYZIHGNSA-N 0 2 397.412 2.749 40 10 GFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000408894272 231125931 /nfs/dbraw/zinc/12/59/31/231125931.db2.gz BYPMVMCDZDBNKT-MDWZMJQESA-N 0 2 387.735 2.620 40 10 GFCBLN C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000408949269 529774781 /nfs/dbraw/zinc/77/47/81/529774781.db2.gz AKIDEUIZWVAQEU-XNTDXEJSSA-N 0 2 387.486 2.829 40 10 GFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000408805529 528226080 /nfs/dbraw/zinc/22/60/80/528226080.db2.gz GIAXURAPDGHZHU-FOWTUZBSSA-N 0 2 394.383 2.538 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(OCC)c1 ZINC000409394376 528369601 /nfs/dbraw/zinc/36/96/01/528369601.db2.gz ZPUCIVFQIIUXTO-LFIBNONCSA-N 0 2 381.388 2.545 40 10 GFCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C ZINC000408950310 231134142 /nfs/dbraw/zinc/13/41/42/231134142.db2.gz JDNUZSDVGRESSL-OVCLIPMQSA-N 0 2 381.388 2.520 40 10 GFCBLN CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S ZINC000408904896 529586527 /nfs/dbraw/zinc/58/65/27/529586527.db2.gz QCNQDUVRMGWYGV-UKTHLTGXSA-N 0 2 397.412 2.694 40 10 GFCBLN COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C1=O)OCO2 ZINC000408960906 533152929 /nfs/dbraw/zinc/15/29/29/533152929.db2.gz JEWYHIABNWSEBP-VIZOYTHASA-N 0 2 394.383 2.707 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OC)c1 ZINC000408817163 231118569 /nfs/dbraw/zinc/11/85/69/231118569.db2.gz ZVGLDMXPGHAOKB-MHWRWJLKSA-N 0 2 380.400 2.987 40 10 GFCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408894851 231125986 /nfs/dbraw/zinc/12/59/86/231125986.db2.gz JHRCVACHUFSNAA-NTUHNPAUSA-N 0 2 387.735 2.620 40 10 GFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(OC)c2OC)C1=O ZINC000409224063 231183419 /nfs/dbraw/zinc/18/34/19/231183419.db2.gz HHAFNVLUHMSVPH-WYMLVPIESA-N 0 2 396.399 2.769 40 10 GFCBLN CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408965290 529662432 /nfs/dbraw/zinc/66/24/32/529662432.db2.gz VIEHZGKWXPJUAO-NTEUORMPSA-N 0 2 397.412 2.694 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC ZINC000408913124 528369291 /nfs/dbraw/zinc/36/92/91/528369291.db2.gz SRKAZEQHKNGVCE-OQLLNIDSSA-N 0 2 384.363 2.899 40 10 GFCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C)c3)C1=O)OCO2 ZINC000409103732 570698535 /nfs/dbraw/zinc/69/85/35/570698535.db2.gz FHWVRFVUDSOQJA-NVNXTCNLSA-N 0 2 394.383 2.789 40 10 GFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3OC)OCO4)C2=O)cc1 ZINC000409072189 529662405 /nfs/dbraw/zinc/66/24/05/529662405.db2.gz JBCREMPOYXJESQ-NVNXTCNLSA-N 0 2 394.383 2.653 40 10 GFCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408548955 533564577 /nfs/dbraw/zinc/56/45/77/533564577.db2.gz OECFBIXNOSRMKK-MHWRWJLKSA-N 0 2 380.400 2.987 40 10 GFCBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000408758415 570452943 /nfs/dbraw/zinc/45/29/43/570452943.db2.gz ZVWHWHUXVVBDEI-ZROIWOOFSA-N 0 2 387.827 2.752 40 10 GFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)ccc3OC)C2=O)cc1 ZINC000408984809 529662427 /nfs/dbraw/zinc/66/24/27/529662427.db2.gz SSUBMOQQROOFIC-ATVHPVEESA-N 0 2 380.400 2.933 40 10 GFCBLN O=C([O-])[C@H]1C[NH2+][C@@H](c2cc(Br)cc(Br)c2O)S1 ZINC000408980085 534539302 /nfs/dbraw/zinc/53/93/02/534539302.db2.gz UNRSHSKAEAKKSO-VXNVDRBHSA-N 0 2 383.061 2.705 40 10 GFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000006282400 551098867 /nfs/dbraw/zinc/09/88/67/551098867.db2.gz IUOZDNVNFMBUQU-XYOKQWHBSA-N 0 2 387.189 2.821 40 10 GFCBLN CNC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408527243 530039540 /nfs/dbraw/zinc/03/95/40/530039540.db2.gz DBDJAGCLIULHIK-LDADJPATSA-N 0 2 379.460 2.841 40 10 GFCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(O)c1 ZINC000408741922 528292742 /nfs/dbraw/zinc/29/27/42/528292742.db2.gz SQNMFZYBOHLTRN-SFQUDFHCSA-N 0 2 379.416 2.905 40 10 GFCBLN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408904416 231127681 /nfs/dbraw/zinc/12/76/81/231127681.db2.gz JCYJABYJFPFHTL-RIYZIHGNSA-N 0 2 397.412 2.749 40 10 GFCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408905071 231128074 /nfs/dbraw/zinc/12/80/74/231128074.db2.gz SQSRDOUGADKBSX-WUXMJOGZSA-N 0 2 387.735 2.620 40 10 GFCBLN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1C ZINC000408905168 231128300 /nfs/dbraw/zinc/12/83/00/231128300.db2.gz UOFADAOWBSZTFR-MDWZMJQESA-N 0 2 397.412 2.749 40 10 GFCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O ZINC000408537126 533469869 /nfs/dbraw/zinc/46/98/69/533469869.db2.gz UOUYAOZYVIODON-YBEGLDIGSA-N 0 2 394.383 2.595 40 10 GFCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC ZINC000408549752 533564957 /nfs/dbraw/zinc/56/49/57/533564957.db2.gz YFTNIKZMFCKIBU-OVCLIPMQSA-N 0 2 384.363 2.818 40 10 GFCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409389545 529383045 /nfs/dbraw/zinc/38/30/45/529383045.db2.gz BYVKNWFLDMQQKV-KWWJGWKXSA-N 0 2 395.415 2.934 40 10 GFCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cccn2C)C1=O ZINC000409098725 231160411 /nfs/dbraw/zinc/16/04/11/231160411.db2.gz JLSKYSLQHKXTAA-UKTHLTGXSA-N 0 2 388.221 2.762 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cc(Br)cs1 ZINC000409393336 231200797 /nfs/dbraw/zinc/20/07/97/231200797.db2.gz QIAFLUZNCPQLSH-IZZDOVSWSA-N 0 2 378.207 2.572 40 10 GFCBLN O=C([O-])[C@H]1C[NH2+][C@H](c2cc(Br)cc(Br)c2O)S1 ZINC000408980082 534539043 /nfs/dbraw/zinc/53/90/43/534539043.db2.gz UNRSHSKAEAKKSO-APPZFPTMSA-N 0 2 383.061 2.705 40 10 GFCBLN CCN(/C=C1\C(=O)NC(=O)N(c2cc(C)c(Br)cc2C)C1=O)CC ZINC000408536297 528904395 /nfs/dbraw/zinc/90/43/95/528904395.db2.gz VWXZDUFHWYWYKP-FMIVXFBMSA-N 0 2 394.269 2.874 40 10 GFCBLN Cc1ccc2[nH]c(=NC=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)sc2c1 ZINC000408529861 231051116 /nfs/dbraw/zinc/05/11/16/231051116.db2.gz IEGAZCTUMGSMTI-JLHYYAGUSA-N 0 2 392.440 2.914 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc2c1OCO2 ZINC000408967710 533472721 /nfs/dbraw/zinc/47/27/21/533472721.db2.gz WYCOQZZCXYLLFU-VIZOYTHASA-N 0 2 394.383 2.707 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(F)c1 ZINC000409395859 231201305 /nfs/dbraw/zinc/20/13/05/231201305.db2.gz SNNOBUYIOWUXIY-FOWTUZBSSA-N 0 2 394.406 2.877 40 10 GFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000006505941 204180791 /nfs/dbraw/zinc/18/07/91/204180791.db2.gz ZMMBSBFDWPFILB-ZROIWOOFSA-N 0 2 386.751 2.827 40 10 GFCBLN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 ZINC000409373485 534784007 /nfs/dbraw/zinc/78/40/07/534784007.db2.gz UEEFLTYCAQBCRN-ONNFQVAWSA-N 0 2 381.171 2.954 40 10 GFCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(F)c3)C1=O)OCO2 ZINC000409107580 528337774 /nfs/dbraw/zinc/33/77/74/528337774.db2.gz RZQJSLCQKRXVHP-NSIKDUERSA-N 0 2 398.346 2.620 40 10 GFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408957025 231134962 /nfs/dbraw/zinc/13/49/62/231134962.db2.gz ZTFNJDSVGSKWQA-YRNVUSSQSA-N 0 2 388.738 2.874 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O ZINC000408853957 533473257 /nfs/dbraw/zinc/47/32/57/533473257.db2.gz UGAUBDFBQRWMRH-OVCLIPMQSA-N 0 2 396.399 2.693 40 10 GFCBLN O=C([O-])[C@@H]1C[NH2+][C@@H](c2cc(Br)cc(Br)c2O)S1 ZINC000408980084 534525786 /nfs/dbraw/zinc/52/57/86/534525786.db2.gz UNRSHSKAEAKKSO-IONNQARKSA-N 0 2 383.061 2.705 40 10 GFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)ccc1O ZINC000409231237 528195793 /nfs/dbraw/zinc/19/57/93/528195793.db2.gz IZYMCDKBNVZAFZ-SDNWHVSQSA-N 0 2 396.399 2.856 40 10 GFCBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(N)(=O)=O)cc1 ZINC000100922839 570279318 /nfs/dbraw/zinc/27/93/18/570279318.db2.gz UASVOWZBPFDNOC-WQRHYEAKSA-N 0 2 384.461 2.669 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OC)c1 ZINC000408804581 231116836 /nfs/dbraw/zinc/11/68/36/231116836.db2.gz AXQRMMPBCIWODG-MHWRWJLKSA-N 0 2 380.400 2.987 40 10 GFCBLN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409389149 533215189 /nfs/dbraw/zinc/21/51/89/533215189.db2.gz AMOMEWSEJWRGEL-QGOAFFKASA-N 0 2 388.383 2.547 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000005006588 136194397 /nfs/dbraw/zinc/19/43/97/136194397.db2.gz VMYUDEPIIWCEMC-LFIBNONCSA-N 0 2 396.399 2.856 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408801636 528369808 /nfs/dbraw/zinc/36/98/08/528369808.db2.gz VBTVJWDXUMFGGT-LFIBNONCSA-N 0 2 396.399 2.769 40 10 GFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O ZINC000408771761 570682294 /nfs/dbraw/zinc/68/22/94/570682294.db2.gz CNLDOUQSGAZHSN-MHWRWJLKSA-N 0 2 394.383 2.595 40 10 GFCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408935300 570686761 /nfs/dbraw/zinc/68/67/61/570686761.db2.gz COXBRBNAYXQNGB-RVDMUPIBSA-N 0 2 381.344 2.660 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1C ZINC000408964880 231136949 /nfs/dbraw/zinc/13/69/49/231136949.db2.gz IFVKPCYJWKMBEU-LFIBNONCSA-N 0 2 380.400 2.987 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000005465618 204135173 /nfs/dbraw/zinc/13/51/73/204135173.db2.gz PDWBPWDLNJUSIG-WJDWOHSUSA-N 0 2 396.399 2.856 40 10 GFCBLN COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000100132102 136188938 /nfs/dbraw/zinc/18/89/38/136188938.db2.gz FEAQWJCSXAEEHC-RVDMUPIBSA-N 0 2 381.388 2.591 40 10 GFCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNC(C)C)C2=O)ccc1Br ZINC000408526186 231049925 /nfs/dbraw/zinc/04/99/25/231049925.db2.gz AFMGSVIBIJPYNJ-YRNVUSSQSA-N 0 2 380.242 2.531 40 10 GFCBLN COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408896014 231125626 /nfs/dbraw/zinc/12/56/26/231125626.db2.gz GIZRMDCQWDVTJP-MHWRWJLKSA-N 0 2 395.371 2.887 40 10 GFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1 ZINC000408899806 528696648 /nfs/dbraw/zinc/69/66/48/528696648.db2.gz QLBIWBSRNSXKDA-WJDWOHSUSA-N 0 2 396.399 2.856 40 10 GFCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3C)C1=O)OCO2 ZINC000209584171 570288737 /nfs/dbraw/zinc/28/87/37/570288737.db2.gz LUYNIKIIEUDQIR-ZSOIEALJSA-N 0 2 394.383 2.789 40 10 GFCBLN Nc1ccc(/N=N\c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(N)[nH+]1 ZINC000104090453 570297504 /nfs/dbraw/zinc/29/75/04/570297504.db2.gz ILTOUHMRBSWYNZ-VXPUYCOJSA-N 0 2 375.439 2.919 40 10 GFCBLN Cc1cc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)[nH+]c3N)cc2)nc(C)n1 ZINC000004809248 570406743 /nfs/dbraw/zinc/40/67/43/570406743.db2.gz OFOOAZCHCVNSOV-WCWDXBQESA-N 0 2 398.452 2.869 40 10 GFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccnc1 ZINC000409392101 231199951 /nfs/dbraw/zinc/19/99/51/231199951.db2.gz KZCLYHIBIAFKIG-WOJGMQOQSA-N 0 2 387.399 2.551 40 10 GFCBLN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000016160636 207072849 /nfs/dbraw/zinc/07/28/49/207072849.db2.gz GRUVIZPJIHPCBX-ZROIWOOFSA-N 0 2 399.338 2.868 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OC)c1 ZINC000408818919 231118741 /nfs/dbraw/zinc/11/87/41/231118741.db2.gz YVCRBSVTILRLHT-MHWRWJLKSA-N 0 2 380.400 2.987 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000409393342 231200952 /nfs/dbraw/zinc/20/09/52/231200952.db2.gz QJONQQUTEKZQTF-JXMROGBWSA-N 0 2 378.207 2.572 40 10 GFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059106198 534781754 /nfs/dbraw/zinc/78/17/54/534781754.db2.gz NEUCHWNJUURDKV-XGICHPGQSA-N 0 2 399.290 2.969 40 10 GFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2c3nsnc3ccc2C)C1=O ZINC000408535577 534821792 /nfs/dbraw/zinc/82/17/92/534821792.db2.gz YYXXIUSOJHJFAB-FMIVXFBMSA-N 0 2 393.428 2.887 40 10 GFCBLN N#CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000034890422 570222422 /nfs/dbraw/zinc/22/24/22/570222422.db2.gz GWBWXZCJDHYNIQ-PTNGSMBKSA-N 0 2 398.216 2.813 40 10 GFCBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408757375 570546023 /nfs/dbraw/zinc/54/60/23/570546023.db2.gz MRXXZGDWJKGRNK-XNTDXEJSSA-N 0 2 375.388 2.759 40 10 GFCBLN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2O)NC(=S)N1 ZINC000035183133 570550043 /nfs/dbraw/zinc/55/00/43/570550043.db2.gz FKRQVLHOSPCWJE-MRXNPFEDSA-N 0 2 384.417 2.732 40 10 GFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408896643 231125604 /nfs/dbraw/zinc/12/56/04/231125604.db2.gz GTZWZUZVQZLQFG-KPKJPENVSA-N 0 2 387.735 2.620 40 10 GFCBLN CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408526582 527004747 /nfs/dbraw/zinc/00/47/47/527004747.db2.gz BOXLJUQQPJBKQM-GZTJUZNOSA-N 0 2 392.415 2.841 40 10 GFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC)C2=O)cc1 ZINC000408984703 529662661 /nfs/dbraw/zinc/66/26/61/529662661.db2.gz JNQJXIYDLOKTDF-BOPFTXTBSA-N 0 2 380.400 2.933 40 10 GFCBLN CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C)cc3)C1=O)OCO2 ZINC000408961186 528338055 /nfs/dbraw/zinc/33/80/55/528338055.db2.gz LEHLQZOWRPPYIB-OVCLIPMQSA-N 0 2 394.383 2.789 40 10 GFCBLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c2nsnc2ccc1C ZINC000006088937 570667151 /nfs/dbraw/zinc/66/71/51/570667151.db2.gz WKZRWEHGPZSCFQ-UHFFFAOYSA-N 0 2 380.407 2.717 40 10 GFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000408935039 570686886 /nfs/dbraw/zinc/68/68/86/570686886.db2.gz CBSGWNZJMFHKPL-KPKJPENVSA-N 0 2 387.735 2.620 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000408853728 231121314 /nfs/dbraw/zinc/12/13/14/231121314.db2.gz XATBTQGIEHAPON-OQLLNIDSSA-N 0 2 395.371 2.887 40 10 GFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)c1 ZINC000408894437 231126148 /nfs/dbraw/zinc/12/61/48/231126148.db2.gz CMHDZCIQFYKYMG-MHWRWJLKSA-N 0 2 378.384 2.741 40 10 GFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O ZINC000408960178 231135143 /nfs/dbraw/zinc/13/51/43/231135143.db2.gz DBUIANNKELRXPC-XYOKQWHBSA-N 0 2 387.735 2.620 40 10 GFCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408548856 533565688 /nfs/dbraw/zinc/56/56/88/533565688.db2.gz MGEOUJLXJGXQRZ-MHWRWJLKSA-N 0 2 380.400 2.987 40 10 GFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)ccc2OC)C1=O ZINC000409249676 231187964 /nfs/dbraw/zinc/18/79/64/231187964.db2.gz VCTIEPGXVZVQEM-NTCAYCPXSA-N 0 2 396.399 2.769 40 10 GFCBLN CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408537107 527120035 /nfs/dbraw/zinc/12/00/35/527120035.db2.gz UMTFQFDISGFEIO-GDNBJRDFSA-N 0 2 384.775 2.932 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408797933 528369937 /nfs/dbraw/zinc/36/99/37/528369937.db2.gz DBAHZZHCIFHGGI-MHWRWJLKSA-N 0 2 381.344 2.660 40 10 GFCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408530770 528445900 /nfs/dbraw/zinc/44/59/00/528445900.db2.gz FTEDBOSOMXDEMX-VBKFSLOCSA-N 0 2 394.383 2.677 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(C)=O)c3)C2=O)cc1 ZINC000408534552 528482283 /nfs/dbraw/zinc/48/22/83/528482283.db2.gz VZNNISXWTSDWEE-LDADJPATSA-N 0 2 393.399 2.867 40 10 GFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1OC(C)C ZINC000409392402 533387104 /nfs/dbraw/zinc/38/71/04/533387104.db2.gz MCKZZWYZYRVMRK-RVDMUPIBSA-N 0 2 381.388 2.544 40 10 GFCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408538251 528445207 /nfs/dbraw/zinc/44/52/07/528445207.db2.gz ZOANNOJNAODUCM-OWBHPGMISA-N 0 2 394.383 2.677 40 10 GFCBLN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cccc1OC ZINC000409394157 529378561 /nfs/dbraw/zinc/37/85/61/529378561.db2.gz WPKTYYCJMKJGGT-MLDYKZIASA-N 0 2 395.415 2.934 40 10 GFCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 ZINC000408942608 231134423 /nfs/dbraw/zinc/13/44/23/231134423.db2.gz ZQOPNOIBQLGBJJ-XNTDXEJSSA-N 0 2 376.328 2.743 40 10 GFCBLN COC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408536677 534184762 /nfs/dbraw/zinc/18/47/62/534184762.db2.gz AHUHBXXKMLDZEK-JLHYYAGUSA-N 0 2 399.790 2.705 40 10 GFCBLN Cc1nnc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)[nH+]c3N)cc2)s1 ZINC000004775634 570404627 /nfs/dbraw/zinc/40/46/27/570404627.db2.gz VCDGNEYCVAHPRG-FMQUCBEESA-N 0 2 390.454 2.622 40 10 GFCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNC(C)(C)C)C2=O)cc1C ZINC000019596848 210275707 /nfs/dbraw/zinc/27/57/07/210275707.db2.gz SQOANMILJWYRSU-FLIBITNWSA-N 0 2 394.269 2.921 40 10 GFCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408799920 528641602 /nfs/dbraw/zinc/64/16/02/528641602.db2.gz JJDRXBWWEDQQAM-LFIBNONCSA-N 0 2 396.399 2.856 40 10 GFCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408810033 231117471 /nfs/dbraw/zinc/11/74/71/231117471.db2.gz OUOLPRSMPBHGEB-XNTDXEJSSA-N 0 2 380.400 2.987 40 10 GFCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cccnc3)C2=O)ccc1Br ZINC000408763308 231112508 /nfs/dbraw/zinc/11/25/08/231112508.db2.gz OXGWFDMTWFVQJS-MDWZMJQESA-N 0 2 386.205 2.819 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1F ZINC000409396511 231201231 /nfs/dbraw/zinc/20/12/31/231201231.db2.gz YTCSXOYJKQUTRG-SFQUDFHCSA-N 0 2 394.406 2.877 40 10 GFCBLN COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000016194143 210187612 /nfs/dbraw/zinc/18/76/12/210187612.db2.gz GBPZQBCVRRVIAP-GDNBJRDFSA-N 0 2 395.327 2.888 40 10 GFCBLN COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)OCO2 ZINC000409105157 533152839 /nfs/dbraw/zinc/15/28/39/533152839.db2.gz GWUATECFSDKABD-AUWJEWJLSA-N 0 2 394.383 2.707 40 10 GFCBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccn2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000409310205 231189350 /nfs/dbraw/zinc/18/93/50/231189350.db2.gz SBHKNQDFAFTIGW-FPLPWBNLSA-N 0 2 383.320 2.724 40 10 GFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2cccc(Cl)c2)C1=O ZINC000408536018 534821638 /nfs/dbraw/zinc/82/16/38/534821638.db2.gz VFZHKNJSWKDNLI-GXDHUFHOSA-N 0 2 398.806 2.937 40 10 GFCBLN Nc1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(N)[nH+]1 ZINC000004809186 551095121 /nfs/dbraw/zinc/09/51/21/551095121.db2.gz ILTOUHMRBSWYNZ-FMQUCBEESA-N 0 2 375.439 2.919 40 10 GFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1N(C)C ZINC000032117160 570509176 /nfs/dbraw/zinc/50/91/76/570509176.db2.gz ALSWFJSADGBFOD-OVCLIPMQSA-N 0 2 396.403 2.538 40 10 GFCBLN O=C1C=C(NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)C=NC1=O ZINC000016951601 210198417 /nfs/dbraw/zinc/19/84/17/210198417.db2.gz NEDXOHQWXCBBIV-WUKNDPDISA-N 0 2 378.395 2.561 40 10 GFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 ZINC000408710773 533996080 /nfs/dbraw/zinc/99/60/80/533996080.db2.gz JUWRKZLLBPOCIF-PBSOMRJOSA-N 0 2 378.384 2.685 40 10 GFCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccccc1[N+](=O)[O-] ZINC000408536054 231054002 /nfs/dbraw/zinc/05/40/02/231054002.db2.gz VMEANTAFBPLRAJ-MDZDMXLPSA-N 0 2 386.751 2.827 40 10 GFCBLN Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408536797 231054375 /nfs/dbraw/zinc/05/43/75/231054375.db2.gz YENZTFSSWVLHLO-LFIBNONCSA-N 0 2 392.415 2.900 40 10 GFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)cc1C ZINC000408855670 231122978 /nfs/dbraw/zinc/12/29/78/231122978.db2.gz FZXHPACLIPGEGD-MHWRWJLKSA-N 0 2 378.384 2.741 40 10 GFCBLN Cc1cccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408533847 231052097 /nfs/dbraw/zinc/05/20/97/231052097.db2.gz PHSZPPMCINKAIY-LFIBNONCSA-N 0 2 392.415 2.900 40 10 GFCBLN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 ZINC000408904306 231127101 /nfs/dbraw/zinc/12/71/01/231127101.db2.gz HRZAGLRGJZDXOL-MDWZMJQESA-N 0 2 397.412 2.749 40 10 GFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccn1 ZINC000409390755 231200234 /nfs/dbraw/zinc/20/02/34/231200234.db2.gz GVIYTICSTKATCV-SFQUDFHCSA-N 0 2 387.399 2.551 40 10 GFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(NC(C)=O)c2)C1=O ZINC000408536702 529586551 /nfs/dbraw/zinc/58/65/51/529586551.db2.gz XKRXLLNHCAGDRO-SFQUDFHCSA-N 0 2 392.415 2.786 40 10 GFCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccnc1 ZINC000112123623 533321253 /nfs/dbraw/zinc/32/12/53/533321253.db2.gz GNYJFFDWQPKMOE-PDGQHHTCSA-N 0 2 395.375 2.642 40 10 GFCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000112123623 533321257 /nfs/dbraw/zinc/32/12/57/533321257.db2.gz GNYJFFDWQPKMOE-PDGQHHTCSA-N 0 2 395.375 2.642 40 10 GFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OC ZINC000408795490 528195718 /nfs/dbraw/zinc/19/57/18/528195718.db2.gz CFXWRZNOBGJFGS-LFIBNONCSA-N 0 2 396.399 2.769 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1 ZINC000408532130 528482689 /nfs/dbraw/zinc/48/26/89/528482689.db2.gz PTMBCBYZLXQPKK-LFIBNONCSA-N 0 2 381.388 2.678 40 10 GFCBLN N#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000033546391 551133795 /nfs/dbraw/zinc/13/37/95/551133795.db2.gz LJIIXVGDRGBODJ-UVTDQMKNSA-N 0 2 398.216 2.813 40 10 GFCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000059336659 570655008 /nfs/dbraw/zinc/65/50/08/570655008.db2.gz CEFYGNOLMYQKAX-LFYBBSHMSA-N 0 2 388.738 2.874 40 10 GFCBLN CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 ZINC000006554602 570483106 /nfs/dbraw/zinc/48/31/06/570483106.db2.gz AFMLJIXFCFOXKE-ATVHPVEESA-N 0 2 394.383 2.538 40 10 GFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O ZINC000409230138 231184541 /nfs/dbraw/zinc/18/45/41/231184541.db2.gz BVULABVYJSOXNB-FYWRMAATSA-N 0 2 395.415 2.945 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000409390332 231199122 /nfs/dbraw/zinc/19/91/22/231199122.db2.gz DZRJNAMONPDARA-NTCAYCPXSA-N 0 2 376.347 2.678 40 10 GFCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)C(=O)N1 ZINC000018255681 221391846 /nfs/dbraw/zinc/39/18/46/221391846.db2.gz NROMRKZIGPCMFE-WUKNDPDISA-N 0 2 378.395 2.561 40 10 GFCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1OC ZINC000408845000 533387145 /nfs/dbraw/zinc/38/71/45/533387145.db2.gz DUGUSRBBINMOTA-LFIBNONCSA-N 0 2 380.400 2.987 40 10 GFCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000409392426 231200745 /nfs/dbraw/zinc/20/07/45/231200745.db2.gz MMZDOMKZPCDFJE-SFQUDFHCSA-N 0 2 376.347 2.678 40 10 GFCBLN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409207855 534789599 /nfs/dbraw/zinc/78/95/99/534789599.db2.gz BJOCKZSMTAHDFO-XYOKQWHBSA-N 0 2 388.177 2.819 40 10 GFCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(OCC)c1 ZINC000409224643 528369354 /nfs/dbraw/zinc/36/93/54/528369354.db2.gz IMGCGRJGVAFBCZ-MHWRWJLKSA-N 0 2 381.388 2.545 40 10 GFCBLN COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000408896752 231126440 /nfs/dbraw/zinc/12/64/40/231126440.db2.gz HUXWVVSQXVDMRI-GXDHUFHOSA-N 0 2 381.344 2.578 40 10 GFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005475578 570441269 /nfs/dbraw/zinc/44/12/69/570441269.db2.gz UROBEINXQSWJIK-WJDWOHSUSA-N 0 2 381.344 2.660 40 10 GFCBLN