smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000002355687 527047975 /nfs/dbraw/zinc/04/79/75/527047975.db2.gz DIYRXGADUWZVFA-FMIVXFBMSA-N 0 2 464.247 2.684 40 10 JFCBLN NC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000009260248 555034440 /nfs/dbraw/zinc/03/44/40/555034440.db2.gz WUQLWJQEBASFFN-SXGWCWSVSA-N 0 2 467.279 2.556 40 10 JFCBLN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1 ZINC000103920074 569839307 /nfs/dbraw/zinc/83/93/07/569839307.db2.gz KAKJKOROKXEKFM-UNOMPAQXSA-N 0 2 485.547 2.596 40 10 JFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)=O ZINC000108202679 569859063 /nfs/dbraw/zinc/85/90/63/569859063.db2.gz VVENRBRRIGQGCH-ZSOIEALJSA-N 0 2 478.242 2.687 40 10 JFCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408781296 570041716 /nfs/dbraw/zinc/04/17/16/570041716.db2.gz BZOZARWNXQJBGT-MHWRWJLKSA-N 0 2 458.854 2.957 40 10 JFCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC)c(OC)c3)C2=O)c1 ZINC000408848682 570055110 /nfs/dbraw/zinc/05/51/10/570055110.db2.gz SICKNEIWXNGIHW-GZTJUZNOSA-N 0 2 498.488 2.711 40 10 JFCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408948849 570083732 /nfs/dbraw/zinc/08/37/32/570083732.db2.gz HCPNQKDEGFDAHB-UUILKARUSA-N 0 2 493.255 2.940 40 10 JFCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C1=O ZINC000409015510 570101063 /nfs/dbraw/zinc/10/10/63/570101063.db2.gz SIVLEPBSOQXGHM-RVDMUPIBSA-N 0 2 460.284 2.854 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(N)=O ZINC000409219642 570173953 /nfs/dbraw/zinc/17/39/53/570173953.db2.gz SRBLRXUVPHTTTC-NTEUORMPSA-N 0 2 457.870 2.578 40 10 JFCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409222169 570174831 /nfs/dbraw/zinc/17/48/31/570174831.db2.gz AMKQMHMTZYPXQK-RIYZIHGNSA-N 0 2 478.686 2.633 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409222650 570175012 /nfs/dbraw/zinc/17/50/12/570175012.db2.gz CXCJJPWRDVEGSJ-VGOFMYFVSA-N 0 2 478.288 2.923 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1Cl ZINC000409223477 570175287 /nfs/dbraw/zinc/17/52/87/570175287.db2.gz HYGPMXNMFFSVBZ-VGOFMYFVSA-N 0 2 492.713 2.941 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)c(Br)c1O ZINC000409230759 570177677 /nfs/dbraw/zinc/17/76/77/570177677.db2.gz GEOJPVDJLPLXSC-BJMVGYQFSA-N 0 2 497.099 2.987 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)cc1 ZINC000408529440 570187238 /nfs/dbraw/zinc/18/72/38/570187238.db2.gz JPOVUEDRDCHNOH-SSZFMOIBSA-N 0 2 476.493 2.846 40 10 JFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O ZINC000408529739 570187314 /nfs/dbraw/zinc/18/73/14/570187314.db2.gz HUWKWSVWNBWWBZ-ZRDIBKRKSA-N 0 2 484.310 2.527 40 10 JFCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1 ZINC000408530062 570187499 /nfs/dbraw/zinc/18/74/99/570187499.db2.gz KYPSVVPQZBVFHA-JLHYYAGUSA-N 0 2 498.337 2.835 40 10 JFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O ZINC000408530499 570187733 /nfs/dbraw/zinc/18/77/33/570187733.db2.gz IZLPLLQZHXHYHG-CMDGGOBGSA-N 0 2 472.255 2.618 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)cc1 ZINC000408532855 570188589 /nfs/dbraw/zinc/18/85/89/570188589.db2.gz RICLYUGMJHCZQE-SDXDJHTJSA-N 0 2 488.548 2.755 40 10 JFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)ccc1Br ZINC000016282182 525048895 /nfs/dbraw/zinc/04/88/95/525048895.db2.gz ZLTSTHYLGFJTSH-WQLSENKSSA-N 0 2 456.256 2.506 40 10 JFCBLN COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033658632 569630007 /nfs/dbraw/zinc/63/00/07/569630007.db2.gz DNXDVICNEGPEMU-ZEVOCZHWSA-N 0 2 490.266 2.759 40 10 JFCBLN CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000108036793 569858345 /nfs/dbraw/zinc/85/83/45/569858345.db2.gz LFKAKKCDHFWOEH-DHDCSXOGSA-N 0 2 490.266 2.761 40 10 JFCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br ZINC000408955449 570084851 /nfs/dbraw/zinc/08/48/51/570084851.db2.gz UMJCBPBBNDRGNE-LFYBBSHMSA-N 0 2 475.251 2.861 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c(OC)c1 ZINC000408964354 570086994 /nfs/dbraw/zinc/08/69/94/570086994.db2.gz QYPBFSUPPOUANB-KPKJPENVSA-N 0 2 494.241 2.680 40 10 JFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408968239 570088225 /nfs/dbraw/zinc/08/82/25/570088225.db2.gz XNAVUPCQRHDMBZ-DEDYPNTBSA-N 0 2 478.530 2.716 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)c(OCC)c1 ZINC000409010687 570099459 /nfs/dbraw/zinc/09/94/59/570099459.db2.gz DBDKOWLXSCALQF-GHRIWEEISA-N 0 2 455.467 2.580 40 10 JFCBLN CN(C)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3cccc4ccccc43)C1=O)n(C)c(=O)n2C ZINC000408526739 570186098 /nfs/dbraw/zinc/18/60/98/570186098.db2.gz CHCKOIGDVFPLND-SAPNQHFASA-N 0 2 484.516 2.675 40 10 JFCBLN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21 ZINC000408529244 570187104 /nfs/dbraw/zinc/18/71/04/570187104.db2.gz HHJDGGDRFOFCAY-KAMYIIQDSA-N 0 2 498.883 2.983 40 10 JFCBLN CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000408532677 570188603 /nfs/dbraw/zinc/18/86/03/570188603.db2.gz ITILHVCVPNBGEY-GDNBJRDFSA-N 0 2 476.226 2.883 40 10 JFCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000408741464 570032325 /nfs/dbraw/zinc/03/23/25/570032325.db2.gz MDHSBYSFTBTDPA-PCJMVEANSA-N 0 2 467.279 2.997 40 10 JFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000408900030 570068200 /nfs/dbraw/zinc/06/82/00/570068200.db2.gz RBBAPQCWUCITTL-ATVHPVEESA-N 0 2 456.842 2.751 40 10 JFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967175 570087867 /nfs/dbraw/zinc/08/78/67/570087867.db2.gz QGHTVTXTDAVIDM-LDADJPATSA-N 0 2 482.493 2.547 40 10 JFCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)OC ZINC000408981394 570090993 /nfs/dbraw/zinc/09/09/93/570090993.db2.gz AVHBKTLPCYDXAM-PDGQHHTCSA-N 0 2 452.463 2.866 40 10 JFCBLN COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408984511 570091903 /nfs/dbraw/zinc/09/19/03/570091903.db2.gz RPHIQPNZIURTJA-NVNXTCNLSA-N 0 2 458.854 2.875 40 10 JFCBLN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000409095494 570126586 /nfs/dbraw/zinc/12/65/86/570126586.db2.gz HYPFLCWSRGULPJ-CXUHLZMHSA-N 0 2 465.462 2.699 40 10 JFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409200862 570165286 /nfs/dbraw/zinc/16/52/86/570165286.db2.gz JUJMXTZJDGOWCC-YBFXNURJSA-N 0 2 472.457 2.884 40 10 JFCBLN NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409220021 570174080 /nfs/dbraw/zinc/17/40/80/570174080.db2.gz XNSNWFQOSJYNPI-RIYZIHGNSA-N 0 2 478.686 2.633 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(N)=O ZINC000409227999 570176447 /nfs/dbraw/zinc/17/64/47/570176447.db2.gz YYOGXCMYMRSRQH-WLRTZDKTSA-N 0 2 478.288 2.841 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409228100 570176510 /nfs/dbraw/zinc/17/65/10/570176510.db2.gz ZYHHFYSMAPHDNA-AWNIVKPZSA-N 0 2 464.261 2.533 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)cc1 ZINC000408526313 570185974 /nfs/dbraw/zinc/18/59/74/570185974.db2.gz BRNOVVUMXNQWKJ-FLIBITNWSA-N 0 2 472.255 2.618 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)C2=O)cc1 ZINC000408527111 570186245 /nfs/dbraw/zinc/18/62/45/570186245.db2.gz FACCWSLSFZHVEM-DEDYPNTBSA-N 0 2 496.479 2.605 40 10 JFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000408527258 570186338 /nfs/dbraw/zinc/18/63/38/570186338.db2.gz FOTKEFBXUVSZLT-XYOKQWHBSA-N 0 2 450.411 2.681 40 10 JFCBLN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(C)c1 ZINC000408528098 570186721 /nfs/dbraw/zinc/18/67/21/570186721.db2.gz FEHJBPZIVWKWGB-SAPNQHFASA-N 0 2 486.550 2.613 40 10 JFCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c(C)cc1Br ZINC000408529901 570187355 /nfs/dbraw/zinc/18/73/55/570187355.db2.gz KLGCXLJFVILOJF-GXDHUFHOSA-N 0 2 498.337 2.835 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3nnc(-c4ccc(OC)cc4)s3)C2=O)cc1 ZINC000408535661 570189985 /nfs/dbraw/zinc/18/99/85/570189985.db2.gz UDZZMPFWLMNLHW-SFQUDFHCSA-N 0 2 465.491 3.191 40 10 JFCBLN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408536517 570190417 /nfs/dbraw/zinc/19/04/17/570190417.db2.gz WRCJSKQTUHNTSC-DTQAZKPQSA-N 0 2 476.942 2.949 40 10 JFCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000016688277 520629790 /nfs/dbraw/zinc/62/97/90/520629790.db2.gz CQKUJUDVAYQWFM-ZSOIEALJSA-N 0 2 455.379 2.992 40 10 JFCBLN COc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OC(C)=O ZINC000000726006 553774037 /nfs/dbraw/zinc/77/40/37/553774037.db2.gz JGVZVWDBTUHNED-OQLLNIDSSA-N 0 2 478.242 2.687 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)c(OC)c1 ZINC000108194465 569858995 /nfs/dbraw/zinc/85/89/95/569858995.db2.gz QJYZIEMRGPGBDB-UKTHLTGXSA-N 0 2 478.242 2.975 40 10 JFCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000408784396 570042562 /nfs/dbraw/zinc/04/25/62/570042562.db2.gz SESDHWJCWKYSEQ-RIYZIHGNSA-N 0 2 478.242 2.980 40 10 JFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1 ZINC000408802508 570046167 /nfs/dbraw/zinc/04/61/67/570046167.db2.gz FRHAOGLXEUMPMM-XNTDXEJSSA-N 0 2 459.252 2.911 40 10 JFCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408867970 570058563 /nfs/dbraw/zinc/05/85/63/570058563.db2.gz MRCGMMUZHYRIBH-VIZOYTHASA-N 0 2 493.213 2.874 40 10 JFCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000408904585 570070370 /nfs/dbraw/zinc/07/03/70/570070370.db2.gz LUUTVAPOHJWQJZ-JXMROGBWSA-N 0 2 452.179 2.802 40 10 JFCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000409101655 570128674 /nfs/dbraw/zinc/12/86/74/570128674.db2.gz QEOKKCOGFQCRLT-LDADJPATSA-N 0 2 456.296 2.952 40 10 JFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCC(N)=O)C1=O ZINC000409218150 570173483 /nfs/dbraw/zinc/17/34/83/570173483.db2.gz DAUPGVHSLGJRPY-MDWZMJQESA-N 0 2 492.713 2.941 40 10 JFCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)c1 ZINC000409235175 570179354 /nfs/dbraw/zinc/17/93/54/570179354.db2.gz APTCQPRHZDMAFC-DEDYPNTBSA-N 0 2 451.479 2.597 40 10 JFCBLN CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4CC)C3=O)cc2)s1 ZINC000408531008 570187769 /nfs/dbraw/zinc/18/77/69/570187769.db2.gz KALJDQXTKXSCLC-GHRIWEEISA-N 0 2 490.545 3.494 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n2C ZINC000408531916 570188254 /nfs/dbraw/zinc/18/82/54/570188254.db2.gz PDBZHGIYELULOF-SSZFMOIBSA-N 0 2 496.955 2.955 40 10 JFCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408536341 570190419 /nfs/dbraw/zinc/19/04/19/570190419.db2.gz WEINGJHVXMMFHX-GXDHUFHOSA-N 0 2 498.337 2.835 40 10 JFCBLN CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)cc1 ZINC000033363604 521988785 /nfs/dbraw/zinc/98/87/85/521988785.db2.gz BBBZZDRRJUPEIV-UHFFFAOYSA-N 0 2 483.458 2.775 40 10 in-vitro JFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000009311487 555088145 /nfs/dbraw/zinc/08/81/45/555088145.db2.gz ROCXFLMMYOQHKG-BKUYFWCQSA-N 0 2 478.530 2.716 40 10 JFCBLN COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OC(C)=O ZINC000013562088 555496209 /nfs/dbraw/zinc/49/62/09/555496209.db2.gz JGVZVWDBTUHNED-DHDCSXOGSA-N 0 2 478.242 2.687 40 10 JFCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100194366 569755061 /nfs/dbraw/zinc/75/50/61/569755061.db2.gz HHSLJRTTWVZYDB-FDIDWWNZSA-N 0 2 467.279 2.997 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(I)c3)C2=O)cc1 ZINC000408740238 570031755 /nfs/dbraw/zinc/03/17/55/570031755.db2.gz JOCRPGWBELSNHL-NTEUORMPSA-N 0 2 478.242 2.975 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OC ZINC000408811079 570049174 /nfs/dbraw/zinc/04/91/74/570049174.db2.gz KAJVPFSNZRCRRT-NTUHNPAUSA-N 0 2 494.241 2.680 40 10 JFCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000408901576 570068743 /nfs/dbraw/zinc/06/87/43/570068743.db2.gz YXNKGJGKVQBHER-LDADJPATSA-N 0 2 450.451 2.715 40 10 JFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1 ZINC000409210503 570169483 /nfs/dbraw/zinc/16/94/83/570169483.db2.gz JFQDKEFDKQDXMO-RIYZIHGNSA-N 0 2 489.278 2.919 40 10 JFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000409242608 570182627 /nfs/dbraw/zinc/18/26/27/570182627.db2.gz WYKVORRBGGMGQY-WOJGMQOQSA-N 0 2 486.322 2.961 40 10 JFCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409251943 570186072 /nfs/dbraw/zinc/18/60/72/570186072.db2.gz RHEVUZPZVLBKOS-LDADJPATSA-N 0 2 486.322 2.961 40 10 JFCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c(N3CCCC3)cc2n(C)c1=O ZINC000408530864 570187855 /nfs/dbraw/zinc/18/78/55/570187855.db2.gz MXDJLGLKSIDDHZ-SSZFMOIBSA-N 0 2 494.939 2.709 40 10 JFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O ZINC000408534832 570189644 /nfs/dbraw/zinc/18/96/44/570189644.db2.gz RLAAIMJITSSCPB-CSKARUKUSA-N 0 2 456.256 2.918 40 10 JFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1C ZINC000013388169 555393759 /nfs/dbraw/zinc/39/37/59/555393759.db2.gz WHKSEQREHPGPDG-PDGQHHTCSA-N 0 2 465.487 2.877 40 10 JFCBLN COc1cc(C=C2C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1O ZINC000016195046 556128999 /nfs/dbraw/zinc/12/89/99/556128999.db2.gz XXUFZRPLKQTTPE-VZUCSPMQSA-N 0 2 465.203 2.907 40 10 JFCBLN COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103920255 569839232 /nfs/dbraw/zinc/83/92/32/569839232.db2.gz XPTIXSBGSHAOQJ-HMAPJEAMSA-N 0 2 495.488 2.920 40 10 JFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000111506846 569860977 /nfs/dbraw/zinc/86/09/77/569860977.db2.gz RJWQJAIYCVYHMR-LFIBNONCSA-N 0 2 456.842 2.751 40 10 JFCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408773649 570039669 /nfs/dbraw/zinc/03/96/69/570039669.db2.gz SMKHEAHRHAYPEG-OVCLIPMQSA-N 0 2 458.854 2.875 40 10 JFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000408807524 570048017 /nfs/dbraw/zinc/04/80/17/570048017.db2.gz DAMDRHZJWHCTLD-NTEUORMPSA-N 0 2 459.252 2.911 40 10 JFCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c1 ZINC000408854053 570056145 /nfs/dbraw/zinc/05/61/45/570056145.db2.gz WOSHWSNBMKQNFA-RIYZIHGNSA-N 0 2 471.422 2.773 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O ZINC000408951095 570084099 /nfs/dbraw/zinc/08/40/99/570084099.db2.gz LCOHGSWTWHAIIA-LFYBBSHMSA-N 0 2 475.251 2.949 40 10 JFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409210208 570169328 /nfs/dbraw/zinc/16/93/28/570169328.db2.gz FMOUMVJWVFVPFU-RIYZIHGNSA-N 0 2 471.422 2.773 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OCC)c3)C2=O)cc1 ZINC000409223142 570175133 /nfs/dbraw/zinc/17/51/33/570175133.db2.gz HFDJKMQLDLWZGZ-CXUHLZMHSA-N 0 2 487.896 2.668 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O ZINC000409225732 570175886 /nfs/dbraw/zinc/17/58/86/570175886.db2.gz OKBMEBNLZBZDKY-OVCLIPMQSA-N 0 2 457.870 2.578 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)n(C)c(=O)n2C ZINC000408526994 570186248 /nfs/dbraw/zinc/18/62/48/570186248.db2.gz DPUMRNTXLZWGJF-NBVRZTHBSA-N 0 2 490.564 2.919 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 ZINC000006601088 194433085 /nfs/dbraw/zinc/43/30/85/194433085.db2.gz TXEYHEQHEMYQAF-CPNJWEJPSA-N 0 2 481.486 2.659 40 10 JFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C ZINC000009260082 555034431 /nfs/dbraw/zinc/03/44/31/555034431.db2.gz PNVYNOHONQXMIZ-KGENOOAVSA-N 0 2 486.528 2.783 40 10 JFCBLN COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033658630 569629994 /nfs/dbraw/zinc/62/99/94/569629994.db2.gz DNXDVICNEGPEMU-KSSSLANASA-N 0 2 490.266 2.759 40 10 JFCBLN CCOC(=O)c1sc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C(=O)OCC)c1C ZINC000100207832 569755334 /nfs/dbraw/zinc/75/53/34/569755334.db2.gz QCUKDYBFFYKSSQ-KAMYIIQDSA-N 0 2 471.491 2.989 40 10 JFCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1 ZINC000408903368 570069790 /nfs/dbraw/zinc/06/97/90/570069790.db2.gz RRPQWNWLSMOTHQ-LGMDPLHJSA-N 0 2 456.296 2.952 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409075418 570119816 /nfs/dbraw/zinc/11/98/16/570119816.db2.gz YLYDDEIBRLWGHF-CPNJWEJPSA-N 0 2 494.481 2.835 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1C ZINC000409224265 570175527 /nfs/dbraw/zinc/17/55/27/570175527.db2.gz KNYZVHXWYOHLLN-OVCLIPMQSA-N 0 2 472.295 2.596 40 10 JFCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(N)=O)c(Br)c2)C1=O ZINC000409227165 570176208 /nfs/dbraw/zinc/17/62/08/570176208.db2.gz SVCZXSPPXMNXHR-KPKJPENVSA-N 0 2 492.713 2.941 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)cc1C ZINC000408526227 570185791 /nfs/dbraw/zinc/18/57/91/570185791.db2.gz AJLHMRIILZNREJ-GXDHUFHOSA-N 0 2 498.337 2.835 40 10 JFCBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408528622 570186850 /nfs/dbraw/zinc/18/68/50/570186850.db2.gz HYKAKEXDHONUQK-OUKQBFOZSA-N 0 2 464.482 2.702 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(C)cc3)C1=O)n(C)c(=O)n2C ZINC000408531758 570188248 /nfs/dbraw/zinc/18/82/48/570188248.db2.gz LMIJCNRTOOIYCH-VKAVYKQESA-N 0 2 476.537 2.610 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5cccc(c54)C3=O)C2=O)cc1C ZINC000408533897 570189212 /nfs/dbraw/zinc/18/92/12/570189212.db2.gz PMLQFXIYFBSAFU-XDHOZWIPSA-N 0 2 454.442 2.724 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3cc(C)ccc3C)C1=O)n(C)c(=O)n2C ZINC000408534749 570189605 /nfs/dbraw/zinc/18/96/05/570189605.db2.gz WQYCPXOVYAXGFG-SAPNQHFASA-N 0 2 490.564 2.919 40 10 JFCBLN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033431385 569626200 /nfs/dbraw/zinc/62/62/00/569626200.db2.gz SXJZRJZCCOTOIB-RQNDZEIBSA-N 0 2 469.450 2.785 40 10 JFCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC#N ZINC000033596262 569628451 /nfs/dbraw/zinc/62/84/51/569628451.db2.gz LTANFUOQXPKBQO-ZROIWOOFSA-N 0 2 475.242 2.664 40 10 JFCBLN O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)N1CCOCC1 ZINC000033668582 569630460 /nfs/dbraw/zinc/63/04/60/569630460.db2.gz WETOIJJSPYRCEA-YBEGLDIGSA-N 0 2 476.316 2.692 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)cc1 ZINC000100986965 569778623 /nfs/dbraw/zinc/77/86/23/569778623.db2.gz YVXFQXBLLAUICV-GDNBJRDFSA-N 0 2 463.231 2.879 40 10 JFCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000408844681 570054346 /nfs/dbraw/zinc/05/43/46/570054346.db2.gz IFOOBNPUFYDOKW-NTUHNPAUSA-N 0 2 482.205 2.811 40 10 JFCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] ZINC000408848616 570055061 /nfs/dbraw/zinc/05/50/61/570055061.db2.gz RWIWYACVCAQXAP-NYYWCZLTSA-N 0 2 490.222 2.761 40 10 JFCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408849802 570055304 /nfs/dbraw/zinc/05/53/04/570055304.db2.gz ZGNZGYODSXSWAD-WOJGMQOQSA-N 0 2 452.463 2.920 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1O ZINC000408914190 570074412 /nfs/dbraw/zinc/07/44/12/570074412.db2.gz XIIPMASKRRIYPS-LFYBBSHMSA-N 0 2 482.205 2.811 40 10 JFCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408966349 570087549 /nfs/dbraw/zinc/08/75/49/570087549.db2.gz LZCUMAXCOXGAQG-FYJGNVAPSA-N 0 2 478.530 2.716 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c(OC)c1 ZINC000409099672 570127844 /nfs/dbraw/zinc/12/78/44/570127844.db2.gz RXEKLKHJLAZZQJ-CPNJWEJPSA-N 0 2 451.479 2.515 40 10 JFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(N)=O)c(Br)c2)C1=O ZINC000409224802 570175741 /nfs/dbraw/zinc/17/57/41/570175741.db2.gz MUIBXQBLRQGCFL-AWNIVKPZSA-N 0 2 492.713 2.941 40 10 JFCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409226216 570175983 /nfs/dbraw/zinc/17/59/83/570175983.db2.gz PVLRGVNUZPIIQV-AWNIVKPZSA-N 0 2 478.686 2.633 40 10 JFCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(I)o2)C1=O ZINC000409230523 570177595 /nfs/dbraw/zinc/17/75/95/570177595.db2.gz ZCAVIHXWPTZIAY-PKNBQFBNSA-N 0 2 452.204 2.949 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1 ZINC000408528367 570186830 /nfs/dbraw/zinc/18/68/30/570186830.db2.gz HLKSZVLTAARTMX-HMMYKYKNSA-N 0 2 486.550 2.695 40 10 JFCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c(C)c1 ZINC000408534345 570189331 /nfs/dbraw/zinc/18/93/31/570189331.db2.gz QLNDDFVQOZBFIS-FOWTUZBSSA-N 0 2 490.520 2.609 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c(C)c1 ZINC000408534809 570189672 /nfs/dbraw/zinc/18/96/72/570189672.db2.gz RGYPEDOMTIYZMM-JLHYYAGUSA-N 0 2 498.337 2.835 40 10 JFCBLN NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000016157495 527306084 /nfs/dbraw/zinc/30/60/84/527306084.db2.gz GBKGDBTZTPKXOO-GZTJUZNOSA-N 0 2 488.319 2.818 40 10 JFCBLN CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033655461 569629777 /nfs/dbraw/zinc/62/97/77/569629777.db2.gz QNJGJQXKDOBVJJ-ZSOIEALJSA-N 0 2 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570075257 /nfs/dbraw/zinc/07/52/57/570075257.db2.gz WNOREMPYAIWEKK-OVCLIPMQSA-N 0 2 477.242 2.806 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 ZINC000409108988 570131393 /nfs/dbraw/zinc/13/13/93/570131393.db2.gz ZGSWVVCYAHDTRO-LDADJPATSA-N 0 2 451.479 2.979 40 10 JFCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCC(N)=O)C1=O ZINC000409219202 570173795 /nfs/dbraw/zinc/17/37/95/570173795.db2.gz NZXCYYHVCXIVJU-VGOFMYFVSA-N 0 2 492.713 2.941 40 10 JFCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1OC ZINC000409224278 570175553 /nfs/dbraw/zinc/17/55/53/570175553.db2.gz JREMGHLSRXEYEN-OQLLNIDSSA-N 0 2 487.896 2.668 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O ZINC000409225441 570175852 /nfs/dbraw/zinc/17/58/52/570175852.db2.gz PTIZKXHDBIGVQN-NTUHNPAUSA-N 0 2 478.288 2.923 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3cccc(C)c3)C1=O)n(C)c(=O)n2C ZINC000408528333 570186659 /nfs/dbraw/zinc/18/66/59/570186659.db2.gz FTOAQWGERXAEIG-SAPNQHFASA-N 0 2 476.537 2.610 40 10 JFCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)cc1 ZINC000408529166 570187075 /nfs/dbraw/zinc/18/70/75/570187075.db2.gz HDSMUTIUSBHRQC-DTQAZKPQSA-N 0 2 476.493 2.846 40 10 JFCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1C ZINC000408532086 570188377 /nfs/dbraw/zinc/18/83/77/570188377.db2.gz LWYZBUFQOLGEFK-VKAVYKQESA-N 0 2 488.548 2.673 40 10 JFCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000013590383 555524831 /nfs/dbraw/zinc/52/48/31/555524831.db2.gz DYGMGNQZWPQYBI-WQRHYEAKSA-N 0 2 486.871 2.859 40 10 JFCBLN COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000035104040 569674888 /nfs/dbraw/zinc/67/48/88/569674888.db2.gz VRTCDHGBVLHLAA-PDICVPPASA-N 0 2 490.266 2.759 40 10 JFCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(N)=O ZINC000107914382 569857905 /nfs/dbraw/zinc/85/79/05/569857905.db2.gz PQQAQJIUDBPCBT-JYRVWZFOSA-N 0 2 494.729 2.827 40 10 JFCBLN NC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000108101597 569858593 /nfs/dbraw/zinc/85/85/93/569858593.db2.gz VZDWYZLVBHQASZ-SDQBBNPISA-N 0 2 495.127 2.537 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3)C2=O)cc1 ZINC000408882054 570063113 /nfs/dbraw/zinc/06/31/13/570063113.db2.gz OXMMFRZNEYJELU-CXUHLZMHSA-N 0 2 478.242 2.975 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000408935294 570081288 /nfs/dbraw/zinc/08/12/88/570081288.db2.gz CNQXEIUPRCRNST-WUXMJOGZSA-N 0 2 462.212 2.738 40 10 JFCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(I)cc1 ZINC000408947273 570083646 /nfs/dbraw/zinc/08/36/46/570083646.db2.gz BOLSUZOEZZXLJF-NTUHNPAUSA-N 0 2 462.199 2.686 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1 ZINC000408963057 570086585 /nfs/dbraw/zinc/08/65/85/570086585.db2.gz MAJKHRINKWHTSG-MDWZMJQESA-N 0 2 464.215 2.672 40 10 JFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)cc3O)C2=O)cc1 ZINC000408986856 570092611 /nfs/dbraw/zinc/09/26/11/570092611.db2.gz NLCBBZSBCFYYDY-QPEQYQDCSA-N 0 2 478.242 2.931 40 10 JFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409073064 570119060 /nfs/dbraw/zinc/11/90/60/570119060.db2.gz OPTWDABBRQUHSD-ZHZULCJRSA-N 0 2 464.455 2.826 40 10 JFCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409223956 570175437 /nfs/dbraw/zinc/17/54/37/570175437.db2.gz HWOQFRRBBMBZLC-MKMNVTDBSA-N 0 2 478.288 2.923 40 10 JFCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC ZINC000409234716 570179189 /nfs/dbraw/zinc/17/91/89/570179189.db2.gz XPKOZAIENBHVCR-QPEQYQDCSA-N 0 2 493.257 2.760 40 10 JFCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1C ZINC000408528238 570186668 /nfs/dbraw/zinc/18/66/68/570186668.db2.gz FQJGARQHGAZEFL-RAXLEYEMSA-N 0 2 498.337 2.835 40 10 JFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O ZINC000408533671 570189066 /nfs/dbraw/zinc/18/90/66/570189066.db2.gz OSZCVCXZIYHSGG-FOWTUZBSSA-N 0 2 483.531 2.831 40 10 JFCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O ZINC000408537111 570190656 /nfs/dbraw/zinc/19/06/56/570190656.db2.gz ZEMAYQXYUYQNLR-RVDMUPIBSA-N 0 2 498.337 2.781 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1C ZINC000009259870 524926955 /nfs/dbraw/zinc/92/69/55/524926955.db2.gz LMUBYQFNJOAYPX-HMAPJEAMSA-N 0 2 486.528 2.783 40 10 JFCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 ZINC000408891279 570065695 /nfs/dbraw/zinc/06/56/95/570065695.db2.gz OALIJYGAJNOLRQ-NTEUORMPSA-N 0 2 459.252 2.998 40 10 JFCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409063892 570115615 /nfs/dbraw/zinc/11/56/15/570115615.db2.gz ANCHAOYAEHVMBX-XSFVSMFZSA-N 0 2 464.455 2.826 40 10 JFCBLN NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409220055 570174065 /nfs/dbraw/zinc/17/40/65/570174065.db2.gz TWLNWFPNDZKRHN-KGENOOAVSA-N 0 2 471.469 2.796 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1C ZINC000409221792 570174704 /nfs/dbraw/zinc/17/47/04/570174704.db2.gz AMGBGBCIEWRDNC-CXUHLZMHSA-N 0 2 472.295 2.596 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1 ZINC000409223668 570175236 /nfs/dbraw/zinc/17/52/36/570175236.db2.gz JEIJBVGYFIQJDO-AWNIVKPZSA-N 0 2 464.261 2.533 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1Cl ZINC000409227254 570176157 /nfs/dbraw/zinc/17/61/57/570176157.db2.gz YPILDCCWMYSFIB-AWNIVKPZSA-N 0 2 492.713 2.941 40 10 JFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O ZINC000408532947 570188816 /nfs/dbraw/zinc/18/88/16/570188816.db2.gz NHGAUNKOHNZCLK-ACCUITESSA-N 0 2 498.337 2.781 40 10 JFCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)C1=O ZINC000408533414 570189117 /nfs/dbraw/zinc/18/91/17/570189117.db2.gz SBVGXUFDTMBGML-BUHFOSPRSA-N 0 2 476.493 2.846 40 10 JFCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)c1C ZINC000408534244 570189347 /nfs/dbraw/zinc/18/93/47/570189347.db2.gz PWAIJQJBVOCWIW-RIYZIHGNSA-N 0 2 483.278 2.528 40 10 JFCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)cc1 ZINC000408539371 570191178 /nfs/dbraw/zinc/19/11/78/570191178.db2.gz WBOLOYBISSORTB-FLIBITNWSA-N 0 2 456.256 2.918 40 10 JFCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000001177614 522078598 /nfs/dbraw/zinc/07/85/98/522078598.db2.gz UFBZABNKPBYCKS-QPEQYQDCSA-N 0 2 475.251 2.616 40 10 JFCBLN Cc1cccc(-n2c(O)c(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(=O)[nH]c2=O)c1 ZINC000016349888 524136168 /nfs/dbraw/zinc/13/61/68/524136168.db2.gz HACIQUIAIOHEQM-XNTDXEJSSA-N 0 2 466.837 2.700 40 10 JFCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000016488314 527047522 /nfs/dbraw/zinc/04/75/22/527047522.db2.gz BVLBBVXDSXYHPI-VBKFSLOCSA-N 0 2 469.504 2.523 40 10 JFCBLN COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059475181 569604665 /nfs/dbraw/zinc/60/46/65/569604665.db2.gz XGDUZTYFIGWNRN-MDWZMJQESA-N 0 2 465.203 2.669 40 10 JFCBLN COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000035104038 569674882 /nfs/dbraw/zinc/67/48/82/569674882.db2.gz VRTCDHGBVLHLAA-GPILYODUSA-N 0 2 490.266 2.759 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000408740536 570031935 /nfs/dbraw/zinc/03/19/35/570031935.db2.gz LJEFNXVOPZVFGB-MDWZMJQESA-N 0 2 478.242 2.975 40 10 JFCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1 ZINC000408855852 570056516 /nfs/dbraw/zinc/05/65/16/570056516.db2.gz ONIPWEYGDQKDSL-XNTDXEJSSA-N 0 2 460.284 2.854 40 10 JFCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408957075 570085176 /nfs/dbraw/zinc/08/51/76/570085176.db2.gz ZYXDBPVZDIEDQE-VXLYETTFSA-N 0 2 472.457 2.588 40 10 JFCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1 ZINC000408965528 570087214 /nfs/dbraw/zinc/08/72/14/570087214.db2.gz IGZJWMAKFHVXIC-HYARGMPZSA-N 0 2 492.557 2.970 40 10 JFCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)c(OC)c1 ZINC000409105770 570130121 /nfs/dbraw/zinc/13/01/21/570130121.db2.gz ONHWSQDCYWRAOS-GZTJUZNOSA-N 0 2 481.505 2.988 40 10 JFCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409226570 570176045 /nfs/dbraw/zinc/17/60/45/570176045.db2.gz UXXKSBMUEHWSDJ-WLRTZDKTSA-N 0 2 464.261 2.533 40 10 JFCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNNc2ccc(I)cc2)C1=O ZINC000408531741 570188285 /nfs/dbraw/zinc/18/82/85/570188285.db2.gz LJRITQAHEWUVTR-GXDHUFHOSA-N 0 2 462.247 2.683 40 10 JFCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N(CC)CC)n(C)c(=O)n3C)C1=O ZINC000408532841 570188640 /nfs/dbraw/zinc/18/86/40/570188640.db2.gz RFAYYAYCXPHEMN-BMRADRMJSA-N 0 2 490.564 2.864 40 10 JFCBLN CCn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408535498 570190030 /nfs/dbraw/zinc/19/00/30/570190030.db2.gz SWXNHTSPEUURCJ-FOWTUZBSSA-N 0 2 492.492 2.947 40 10 JFCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccccc3C)C1=O)n(C)c(=O)n2C ZINC000408535647 570190051 /nfs/dbraw/zinc/19/00/51/570190051.db2.gz UCSPPHFIWVUWQC-JQIJEIRASA-N 0 2 476.537 2.610 40 10 JFCBLN