smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759593 1020420304 /nfs/dbraw/zinc/42/03/04/1020420304.db2.gz DIEAEIGBWMJYQC-UHFFFAOYSA-N -1 1 347.842 4.291 20 10 EICDMM CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893842 1023338817 /nfs/dbraw/zinc/33/88/17/1023338817.db2.gz HHBNHHQXBPQVIS-ZJUUUORDSA-N -1 1 328.243 4.327 20 10 EICDMM CN(C(=O)C1CC1)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000896573299 1027610420 /nfs/dbraw/zinc/61/04/20/1027610420.db2.gz WDXWLRZRLPJVGU-UHFFFAOYSA-N -1 1 348.805 4.170 20 10 EICDMM COc1cc(NCc2cccc(Br)c2[O-])ccc1Cl ZINC000227964511 1036013653 /nfs/dbraw/zinc/01/36/53/1036013653.db2.gz MOQYNQITWMFHAY-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1c(F)ccc([O-])c1F ZINC000280831832 1042961691 /nfs/dbraw/zinc/96/16/91/1042961691.db2.gz SYQBOCNOERHQNL-UHFFFAOYSA-N -1 1 346.377 4.303 20 10 EICDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1 ZINC000740610272 1045203120 /nfs/dbraw/zinc/20/31/20/1045203120.db2.gz VJJXUQKPULGDGF-UHFFFAOYSA-N -1 1 344.480 4.032 20 10 EICDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)cc1 ZINC000741136386 1045273799 /nfs/dbraw/zinc/27/37/99/1045273799.db2.gz VEZQOMYEYOQCPA-UHFFFAOYSA-N -1 1 344.480 4.176 20 10 EICDMM Cn1cccc1[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768198768 1045738931 /nfs/dbraw/zinc/73/89/31/1045738931.db2.gz OVWIGTWDMBYQRO-OAHLLOKOSA-N -1 1 325.239 4.375 20 10 EICDMM Cc1ccc(CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C2CC2)o1 ZINC000768258726 1045768316 /nfs/dbraw/zinc/76/83/16/1045768316.db2.gz WMCVGYVYXDTEKO-UHFFFAOYSA-N -1 1 336.775 4.020 20 10 EICDMM O=C(CSc1cccc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000916602148 1046105635 /nfs/dbraw/zinc/10/56/35/1046105635.db2.gz AKRAAGREZDZENE-UHFFFAOYSA-N -1 1 328.311 4.092 20 10 EICDMM CCn1c2ccccc2nc1NCc1cccc(Br)c1[O-] ZINC000763412991 1046144539 /nfs/dbraw/zinc/14/45/39/1046144539.db2.gz VLAMRZXURRVIIY-UHFFFAOYSA-N -1 1 346.228 4.136 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccnc(C(F)(F)F)c1 ZINC000804654254 1046722051 /nfs/dbraw/zinc/72/20/51/1046722051.db2.gz LYAAYKUXVJNPRS-UHFFFAOYSA-N -1 1 347.134 4.181 20 10 EICDMM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815626588 1048547811 /nfs/dbraw/zinc/54/78/11/1048547811.db2.gz HROKASYIGDDGCK-MADCSZMMSA-N -1 1 327.268 4.403 20 10 EICDMM CC(=O)Nc1c(C)ccc(NCc2cc(Cl)c(F)cc2[O-])c1C ZINC000816523454 1048830296 /nfs/dbraw/zinc/83/02/96/1048830296.db2.gz QLMPYUVVKMSYGC-UHFFFAOYSA-N -1 1 336.794 4.372 20 10 EICDMM CCOc1ccc(OC)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816526379 1048831040 /nfs/dbraw/zinc/83/10/40/1048831040.db2.gz CNQPHTLLZKQISG-UHFFFAOYSA-N -1 1 325.767 4.204 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518026 1049103122 /nfs/dbraw/zinc/10/31/22/1049103122.db2.gz DKEIITWTMUDZTA-GOEBONIOSA-N -1 1 342.266 4.233 20 10 EICDMM Oc1c(Br)cccc1C[NH2+]Cc1cscc1Cl ZINC000775153085 1050650655 /nfs/dbraw/zinc/65/06/55/1050650655.db2.gz RBHZBMVEMPCHHC-UHFFFAOYSA-N -1 1 332.650 4.159 20 10 EICDMM Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077236 1050875602 /nfs/dbraw/zinc/87/56/02/1050875602.db2.gz OCNPRRCWLXYCCY-YVEFUNNKSA-N -1 1 337.872 4.378 20 10 EICDMM CN(Cc1cc(F)c(F)cc1[O-])[C@@H](c1ccccc1)C(F)(F)F ZINC001180213661 1050915162 /nfs/dbraw/zinc/91/51/62/1050915162.db2.gz WVUSCWYVHKLWAZ-HNNXBMFYSA-N -1 1 331.284 4.406 20 10 EICDMM CC/C(=C\C(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001180410992 1050996383 /nfs/dbraw/zinc/99/63/83/1050996383.db2.gz WFCMIOKTKSRMKN-ACCUITESSA-N -1 1 345.826 4.164 20 10 EICDMM C[S@](=O)Cc1cc(NCc2cccc(Cl)c2[O-])ccc1Cl ZINC001180820980 1051085500 /nfs/dbraw/zinc/08/55/00/1051085500.db2.gz VAQNEYNAYMPLSL-NRFANRHFSA-N -1 1 344.263 4.190 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2c2cccc(F)c2)c1[O-] ZINC001191400219 1051440609 /nfs/dbraw/zinc/44/06/09/1051440609.db2.gz OTEPHSQOVDEGDX-QGZVFWFLSA-N -1 1 333.790 4.334 20 10 EICDMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193220852 1051887194 /nfs/dbraw/zinc/88/71/94/1051887194.db2.gz YJXRXIRDUBOQFU-UHFFFAOYSA-N -1 1 349.173 4.205 20 10 EICDMM CC(C)C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193236540 1051889125 /nfs/dbraw/zinc/88/91/25/1051889125.db2.gz HBTDNVLBXCPZKI-CQSZACIVSA-N -1 1 333.815 4.268 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2Cc3cc(F)c(F)cc3C2)c1[O-] ZINC001195559020 1053437340 /nfs/dbraw/zinc/43/73/40/1053437340.db2.gz SCMQFLMTYKACTJ-UHFFFAOYSA-N -1 1 337.753 4.042 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1[O-] ZINC000854044249 1053746135 /nfs/dbraw/zinc/74/61/35/1053746135.db2.gz ZGDAGEAJOXDEJD-SFHVURJKSA-N -1 1 344.842 4.226 20 10 EICDMM C[C@@H](NC1(c2c(F)cccc2F)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858603603 1054532023 /nfs/dbraw/zinc/53/20/23/1054532023.db2.gz CZBYBAYSTTVOOH-LLVKDONJSA-N -1 1 348.349 4.309 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNc1ccccc1OCC(F)F ZINC001201355774 1054770234 /nfs/dbraw/zinc/77/02/34/1054770234.db2.gz HLWXEZJZTQNNMA-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM COc1ccc(Cl)cc1NCc1cccc(Br)c1[O-] ZINC000048794775 1026398866 /nfs/dbraw/zinc/39/88/66/1026398866.db2.gz YMODPBDKGAUCSC-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM CN(C(=O)C1CC1)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000896566172 1027598880 /nfs/dbraw/zinc/59/88/80/1027598880.db2.gz PYMHEFBYGZPGPB-UHFFFAOYSA-N -1 1 348.805 4.170 20 10 EICDMM Cc1nnc(-c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)o1 ZINC000191436189 1030625918 /nfs/dbraw/zinc/62/59/18/1030625918.db2.gz LDNSFMNPONBVIP-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM CC[C@@H](C)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280667738 1035318339 /nfs/dbraw/zinc/31/83/39/1035318339.db2.gz LSXFEDPCTOWPBT-GFCCVEGCSA-N -1 1 332.831 4.186 20 10 EICDMM CCN(CC)c1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000729512905 1042915892 /nfs/dbraw/zinc/91/58/92/1042915892.db2.gz WKHKASLAOACAHE-UHFFFAOYSA-N -1 1 346.858 4.164 20 10 EICDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1cscn1 ZINC000708146220 1044834509 /nfs/dbraw/zinc/83/45/09/1044834509.db2.gz OGQWNORXJCHRLP-ZETCQYMHSA-N -1 1 347.665 4.115 20 10 EICDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1cscn1 ZINC000708146218 1044834586 /nfs/dbraw/zinc/83/45/86/1044834586.db2.gz OGQWNORXJCHRLP-SSDOTTSWSA-N -1 1 347.665 4.115 20 10 EICDMM COc1ccc(OC(F)F)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790976330 1045662416 /nfs/dbraw/zinc/66/24/16/1045662416.db2.gz LDNMEPNZQXQYHB-UHFFFAOYSA-N -1 1 347.720 4.407 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(N2CCCCC2)cn1 ZINC000790240513 1047540369 /nfs/dbraw/zinc/54/03/69/1047540369.db2.gz GZKOWLRULXENJT-UHFFFAOYSA-N -1 1 335.810 4.182 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN[C@@H](c2ccccc2)C(F)F)c1[O-] ZINC000814650993 1048101776 /nfs/dbraw/zinc/10/17/76/1048101776.db2.gz VQSRGQCGIXVFNU-HNNXBMFYSA-N -1 1 339.769 4.344 20 10 EICDMM CC[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)OC(C)(C)C ZINC000815589449 1048526113 /nfs/dbraw/zinc/52/61/13/1048526113.db2.gz SROPAFOXJROKGZ-GXFFZTMASA-N -1 1 347.377 4.182 20 10 EICDMM CC[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000815632603 1048554783 /nfs/dbraw/zinc/55/47/83/1048554783.db2.gz SDYHPCBOQQHGOS-CYBMUJFWSA-N -1 1 337.782 4.239 20 10 EICDMM COCCOc1cc(C)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816522190 1048828939 /nfs/dbraw/zinc/82/89/39/1048828939.db2.gz OBVZTFRBMOSLEE-UHFFFAOYSA-N -1 1 339.794 4.130 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC001178469471 1050477567 /nfs/dbraw/zinc/47/75/67/1050477567.db2.gz PEGCXEJWEGJWBT-GFCCVEGCSA-N -1 1 346.160 4.201 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001179366323 1050684959 /nfs/dbraw/zinc/68/49/59/1050684959.db2.gz VBEHGXLLEAGXBL-AWEZNQCLSA-N -1 1 349.711 4.393 20 10 EICDMM C[C@@H]1SCCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001179938944 1050824185 /nfs/dbraw/zinc/82/41/85/1050824185.db2.gz ZVGHYZKCEIHGTG-YVEFUNNKSA-N -1 1 335.419 4.349 20 10 EICDMM CC(F)(F)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180410219 1050991181 /nfs/dbraw/zinc/99/11/81/1050991181.db2.gz MSRVKILDJUKEIT-UHFFFAOYSA-N -1 1 325.742 4.087 20 10 EICDMM COc1cccc2c(NC(=O)c3ccc(O)c([O-])c3Cl)cccc12 ZINC001193230233 1051893847 /nfs/dbraw/zinc/89/38/47/1051893847.db2.gz RPPNLAPVBLFVTF-UHFFFAOYSA-N -1 1 343.766 4.165 20 10 EICDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c2ccccc12 ZINC001193864588 1052018987 /nfs/dbraw/zinc/01/89/87/1052018987.db2.gz PQAAHXIJDIEKOJ-UHFFFAOYSA-N -1 1 340.448 4.015 20 10 EICDMM O=C(c1ccccc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775645751 1053320903 /nfs/dbraw/zinc/32/09/03/1053320903.db2.gz PYODJYZASKYKJH-UHFFFAOYSA-N -1 1 347.817 4.280 20 10 EICDMM CCc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765212133 1053468384 /nfs/dbraw/zinc/46/83/84/1053468384.db2.gz SDZIYIQGIFKGLE-UHFFFAOYSA-N -1 1 349.228 4.039 20 10 EICDMM C[C@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866417350 1053722653 /nfs/dbraw/zinc/72/26/53/1053722653.db2.gz ODNJAGMSZGOBGX-AYVTZFPOSA-N -1 1 347.283 4.439 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2cccnc2)c1[O-] ZINC000854040360 1053742735 /nfs/dbraw/zinc/74/27/35/1053742735.db2.gz QYFCGPLXCIBWKO-GOSISDBHSA-N -1 1 344.842 4.226 20 10 EICDMM CCCc1c(NCc2cc(F)cc(F)c2[O-])cnn1-c1ccccc1 ZINC001201635247 1054860376 /nfs/dbraw/zinc/86/03/76/1054860376.db2.gz ZWWNKTRXBYAGRH-UHFFFAOYSA-N -1 1 343.377 4.421 20 10 EICDMM C[C@H]1CC(=O)N(C)c2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000862536337 1055079614 /nfs/dbraw/zinc/07/96/14/1055079614.db2.gz HMERIDQLUHBYLU-JTQLQIEISA-N -1 1 348.805 4.267 20 10 EICDMM Cc1cc(C)cc(-c2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000741463249 1058219871 /nfs/dbraw/zinc/21/98/71/1058219871.db2.gz BRZNDMLDYRIGKH-YBEGLDIGSA-N -1 1 325.458 4.459 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000890759845 1020418848 /nfs/dbraw/zinc/41/88/48/1020418848.db2.gz SCCCDBVZNYFYDV-NXEZZACHSA-N -1 1 342.247 4.180 20 10 EICDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(Cl)c1[O-] ZINC001210216005 1020950987 /nfs/dbraw/zinc/95/09/87/1020950987.db2.gz PSZMLFUBHMJYRH-ZKOWVJSDSA-N -1 1 339.786 4.313 20 10 EICDMM CCn1c2ccccc2c2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000003570219 1023933688 /nfs/dbraw/zinc/93/36/88/1023933688.db2.gz KWHFFZPQMLEXAK-MHWRWJLKSA-N -1 1 338.457 4.303 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cccc2ncccc21 ZINC000048794687 1026400703 /nfs/dbraw/zinc/40/07/03/1026400703.db2.gz BQFNHXSFDWKPMK-UHFFFAOYSA-N -1 1 329.197 4.315 20 10 EICDMM CCN(Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21)C1CC1 ZINC000912855066 1038371921 /nfs/dbraw/zinc/37/19/21/1038371921.db2.gz KACLVDSBBCWQDK-UHFFFAOYSA-N -1 1 349.430 4.458 20 10 EICDMM CCC(=O)N(C)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001203497790 1043614922 /nfs/dbraw/zinc/61/49/22/1043614922.db2.gz YEVZQKFBNAACEA-UHFFFAOYSA-N -1 1 336.794 4.170 20 10 EICDMM Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)c(C)c(C)c1O ZINC000187060928 1044898837 /nfs/dbraw/zinc/89/88/37/1044898837.db2.gz MZJNXSBPVFOJPE-UHFFFAOYSA-N -1 1 341.432 4.271 20 10 EICDMM Cc1ccc(-c2nnco2)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790976111 1045662710 /nfs/dbraw/zinc/66/27/10/1045662710.db2.gz CUYFDQCKNNRVAF-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(-c2csnn2)cc1 ZINC000790976069 1045663822 /nfs/dbraw/zinc/66/38/22/1045663822.db2.gz AWTLTXUWGLVTDA-UHFFFAOYSA-N -1 1 335.791 4.315 20 10 EICDMM COCCCOc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000790984593 1045668950 /nfs/dbraw/zinc/66/89/50/1045668950.db2.gz VECLOGURUWDQFT-UHFFFAOYSA-N -1 1 339.794 4.212 20 10 EICDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)c(OC)cc1Cl ZINC000790981789 1045669843 /nfs/dbraw/zinc/66/98/43/1045669843.db2.gz XCLPUPCQORMJNA-UHFFFAOYSA-N -1 1 346.185 4.467 20 10 EICDMM COCc1ccc([C@@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000768540473 1045818353 /nfs/dbraw/zinc/81/83/53/1045818353.db2.gz HYBZHXFPMNSQLL-HNNXBMFYSA-N -1 1 339.794 4.261 20 10 EICDMM Cc1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)cc1 ZINC001170314810 1045997385 /nfs/dbraw/zinc/99/73/85/1045997385.db2.gz IUFQDUKGXUFSSN-UHFFFAOYSA-N -1 1 333.387 4.368 20 10 EICDMM CC[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(Cl)c1[O-] ZINC000806161192 1047185363 /nfs/dbraw/zinc/18/53/63/1047185363.db2.gz NWZJVTKGKCSXOM-KRWDZBQOSA-N -1 1 333.815 4.386 20 10 EICDMM CC[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cccc(Cl)c1[O-] ZINC000806163166 1047186298 /nfs/dbraw/zinc/18/62/98/1047186298.db2.gz MOFMKVIOEFQCBF-MRXNPFEDSA-N -1 1 342.826 4.461 20 10 EICDMM CO[C@H]1CCOc2c(N[C@H](C)c3cc(F)cc(F)c3[O-])cccc21 ZINC000790498147 1047598879 /nfs/dbraw/zinc/59/88/79/1047598879.db2.gz ATMVDXVGUSWCFD-HWPZZCPQSA-N -1 1 335.350 4.314 20 10 EICDMM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000809769645 1048502709 /nfs/dbraw/zinc/50/27/09/1048502709.db2.gz QDBDZDPEJYDMSZ-GFCCVEGCSA-N -1 1 345.805 4.221 20 10 EICDMM O=C(Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)C1CC1 ZINC000816522559 1048830239 /nfs/dbraw/zinc/83/02/39/1048830239.db2.gz DWUPHERLUNTXQP-UHFFFAOYSA-N -1 1 334.778 4.145 20 10 EICDMM [O-]c1c(F)cc(Br)cc1CNc1cccc2cnccc21 ZINC001177370851 1050199121 /nfs/dbraw/zinc/19/91/21/1050199121.db2.gz QBXVGIIWTMFPSC-UHFFFAOYSA-N -1 1 347.187 4.454 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(-c2ccccc2)cs1 ZINC001180410964 1050995580 /nfs/dbraw/zinc/99/55/80/1050995580.db2.gz WAMZXRLRFPROGM-UHFFFAOYSA-N -1 1 344.823 4.099 20 10 EICDMM CC[C@H](NCc1nnc(C)s1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775548594 1051814230 /nfs/dbraw/zinc/81/42/30/1051814230.db2.gz VZQVUKJHJKUYDM-JTQLQIEISA-N -1 1 332.256 4.100 20 10 EICDMM Cc1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)c2ccccc12 ZINC001193236477 1051888829 /nfs/dbraw/zinc/88/88/29/1051888829.db2.gz DWQGUWKHRQJRRZ-UHFFFAOYSA-N -1 1 341.794 4.143 20 10 EICDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(C)cc1O ZINC001193858206 1052017968 /nfs/dbraw/zinc/01/79/68/1052017968.db2.gz UWPNGLWSNBWFLL-UHFFFAOYSA-N -1 1 341.432 4.271 20 10 EICDMM C[C@@H](N[C@@H](C)c1cscn1)c1cc(Br)cc(F)c1[O-] ZINC000850511442 1053268482 /nfs/dbraw/zinc/26/84/82/1053268482.db2.gz FBTRHYVCYFQBEV-SFYZADRCSA-N -1 1 345.237 4.162 20 10 EICDMM CC(=O)c1c(F)cccc1NCc1cccc(Br)c1[O-] ZINC000764933504 1053384402 /nfs/dbraw/zinc/38/44/02/1053384402.db2.gz DKVIWNJFYRWHPP-UHFFFAOYSA-N -1 1 338.176 4.109 20 10 EICDMM C[C@H]1CC(=O)N(C)c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000862537213 1055080711 /nfs/dbraw/zinc/08/07/11/1055080711.db2.gz UYTDMGLHXBKLMC-JTQLQIEISA-N -1 1 348.805 4.267 20 10 EICDMM CC1(F)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367806 1025042707 /nfs/dbraw/zinc/04/27/07/1025042707.db2.gz RBHOYAXWGMXNMG-UHFFFAOYSA-N -1 1 336.632 4.132 20 10 EICDMM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nccn1-c1ccccc1 ZINC000367568502 1030212078 /nfs/dbraw/zinc/21/20/78/1030212078.db2.gz YOQWUOQSBZXQET-STQMWFEESA-N -1 1 343.377 4.268 20 10 EICDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1ccccc1C ZINC000735925542 1044879286 /nfs/dbraw/zinc/87/92/86/1044879286.db2.gz VSMSCNYHQFAXHS-UHFFFAOYSA-N -1 1 338.382 4.500 20 10 EICDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1 ZINC000741136560 1045273855 /nfs/dbraw/zinc/27/38/55/1045273855.db2.gz YYUZDKTZKAVZGK-UHFFFAOYSA-N -1 1 344.480 4.176 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(Cn2cccn2)c1 ZINC000790953339 1045633881 /nfs/dbraw/zinc/63/38/81/1045633881.db2.gz UFTNAUPWWLFLBM-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccnn1Cc1ccccc1F ZINC000790976536 1045658486 /nfs/dbraw/zinc/65/84/86/1045658486.db2.gz HICWOVDELGHVBY-UHFFFAOYSA-N -1 1 349.768 4.181 20 10 EICDMM CC1CCN(c2cccc(NC(=O)c3ccc([O-])c(F)c3)c2)CC1 ZINC000768172520 1045737355 /nfs/dbraw/zinc/73/73/55/1045737355.db2.gz JNVOLYAICIGUMI-UHFFFAOYSA-N -1 1 328.387 4.020 20 10 EICDMM COCc1ccc([C@H]2CCCN2Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000768540475 1045817748 /nfs/dbraw/zinc/81/77/48/1045817748.db2.gz HYBZHXFPMNSQLL-OAHLLOKOSA-N -1 1 339.794 4.261 20 10 EICDMM COc1c(Cl)cccc1NCc1cccc(Br)c1[O-] ZINC000770422337 1046199481 /nfs/dbraw/zinc/19/94/81/1046199481.db2.gz OHSHOKRLWLKUBM-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM CC[C@@H](NCc1ncccc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148107 1047170967 /nfs/dbraw/zinc/17/09/67/1047170967.db2.gz CLMAXNUNJLDPQJ-CYBMUJFWSA-N -1 1 329.202 4.474 20 10 EICDMM COc1cc(NCc2cc(Cl)cc(F)c2[O-])cc2cccnc21 ZINC000814171370 1047864793 /nfs/dbraw/zinc/86/47/93/1047864793.db2.gz MCUMHKDIAMRBQW-UHFFFAOYSA-N -1 1 332.762 4.354 20 10 EICDMM Cc1nc(-c2ccc(C)c(NCc3cc(Cl)c(F)cc3[O-])c2)n[nH]1 ZINC000816524310 1048829947 /nfs/dbraw/zinc/82/99/47/1048829947.db2.gz ZWOFFHLIOUFOAV-UHFFFAOYSA-N -1 1 346.793 4.199 20 10 EICDMM Cc1nn(-c2ccccc2)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816566329 1048836966 /nfs/dbraw/zinc/83/69/66/1048836966.db2.gz RQCBWCRPOVQQFV-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM Cc1ccnn1-c1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816568134 1048837477 /nfs/dbraw/zinc/83/74/77/1048837477.db2.gz XSTRUKUJKUQGFI-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM Cc1ccn(-c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)n1 ZINC000816603753 1048842175 /nfs/dbraw/zinc/84/21/75/1048842175.db2.gz OTWNVMWPIFPOAZ-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM CC(=O)N(c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@H]1C[C@H]1C ZINC000816663751 1048851433 /nfs/dbraw/zinc/85/14/33/1048851433.db2.gz HNTHAWDVNHSQON-XIKOKIGWSA-N -1 1 344.842 4.419 20 10 EICDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000921261479 1048894837 /nfs/dbraw/zinc/89/48/37/1048894837.db2.gz FULMWQFQGWFUHF-RZNTYIFUSA-N -1 1 349.383 4.246 20 10 EICDMM CC1CCN(c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)CC1 ZINC001147431589 1049145539 /nfs/dbraw/zinc/14/55/39/1049145539.db2.gz CYUHLQLXRQYQSL-UHFFFAOYSA-N -1 1 328.387 4.020 20 10 EICDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC001136428359 1049617422 /nfs/dbraw/zinc/61/74/22/1049617422.db2.gz WCAOAPJROUBUID-UHFFFAOYSA-N -1 1 348.446 4.274 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNc1cnn(-c2ccccc2F)c1 ZINC001178199826 1050402546 /nfs/dbraw/zinc/40/25/46/1050402546.db2.gz XNTFPFJQVGLSAE-UHFFFAOYSA-N -1 1 335.741 4.122 20 10 EICDMM CC(=O)c1ccc(C(F)(F)F)nc1NCc1cccc(Cl)c1[O-] ZINC001187863668 1050635924 /nfs/dbraw/zinc/63/59/24/1050635924.db2.gz ZBMAUELTKYOBIB-UHFFFAOYSA-N -1 1 344.720 4.274 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2ccccc2)ns1 ZINC001180409589 1050992289 /nfs/dbraw/zinc/99/22/89/1050992289.db2.gz DJDRGRFQNUKORL-UHFFFAOYSA-N -1 1 344.823 4.099 20 10 EICDMM CC(C)c1cccc(N(CCO)Cc2c([O-])ccc(Cl)c2F)c1 ZINC001182694613 1051676896 /nfs/dbraw/zinc/67/68/96/1051676896.db2.gz VFQKRHNYHUGRIL-UHFFFAOYSA-N -1 1 337.822 4.307 20 10 EICDMM CC[C@@H](NCc1nnc(C)s1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775548596 1051813967 /nfs/dbraw/zinc/81/39/67/1051813967.db2.gz VZQVUKJHJKUYDM-SNVBAGLBSA-N -1 1 332.256 4.100 20 10 EICDMM C[C@]12CC3CC(NC(=O)c4ccc(O)c([O-])c4Cl)(C1)C[C@@](C)(C3)C2 ZINC001193236900 1051889266 /nfs/dbraw/zinc/88/92/66/1051889266.db2.gz SPTVUSPTNVNNEC-PDPGNDQDSA-N -1 1 349.858 4.230 20 10 EICDMM CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000850498798 1053260027 /nfs/dbraw/zinc/26/00/27/1053260027.db2.gz DHRACFNCLPKLHA-JCOFBHIZSA-N -1 1 341.242 4.037 20 10 EICDMM CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000850498799 1053261191 /nfs/dbraw/zinc/26/11/91/1053261191.db2.gz DHRACFNCLPKLHA-OXHMUOHRSA-N -1 1 341.242 4.037 20 10 EICDMM C[C@@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866417349 1053722821 /nfs/dbraw/zinc/72/28/21/1053722821.db2.gz ODNJAGMSZGOBGX-ANRSDYALSA-N -1 1 347.283 4.439 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000775748813 1053803228 /nfs/dbraw/zinc/80/32/28/1053803228.db2.gz DLZKXVQBLOSYFH-UHFFFAOYSA-N -1 1 340.814 4.320 20 10 EICDMM Cc1c(NCc2cccc(Br)c2[O-])cccc1N(C)C ZINC000775765804 1053869553 /nfs/dbraw/zinc/86/95/53/1053869553.db2.gz SKKAPJDPRGAHRI-UHFFFAOYSA-N -1 1 335.245 4.141 20 10 EICDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c(C)s1 ZINC000123888783 1054327842 /nfs/dbraw/zinc/32/78/42/1054327842.db2.gz FEIKJCRKMIMJDS-UHFFFAOYSA-N -1 1 339.482 4.303 20 10 EICDMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877847862 1055135215 /nfs/dbraw/zinc/13/52/15/1055135215.db2.gz HBTVVDFNJZCXFC-AWEZNQCLSA-N -1 1 341.169 4.034 20 10 EICDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2c3ccccc3sc21 ZINC000877856158 1055139478 /nfs/dbraw/zinc/13/94/78/1055139478.db2.gz ZMJHJGCTPMSEFZ-OAHLLOKOSA-N -1 1 348.786 4.254 20 10 EICDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC001625794322 1019180403 /nfs/dbraw/zinc/18/04/03/1019180403.db2.gz FTIVAYIHXZJSCO-UHFFFAOYSA-N -1 1 348.446 4.274 20 10 EICDMM CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893840 1023339469 /nfs/dbraw/zinc/33/94/69/1023339469.db2.gz HHBNHHQXBPQVIS-UWVGGRQHSA-N -1 1 328.243 4.327 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc2ncsc2c1 ZINC000226651294 1038315408 /nfs/dbraw/zinc/31/54/08/1038315408.db2.gz IYDCITBCZSFSAI-UHFFFAOYSA-N -1 1 335.226 4.377 20 10 EICDMM Cn1cccc1[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768198764 1045740746 /nfs/dbraw/zinc/74/07/46/1045740746.db2.gz OVWIGTWDMBYQRO-HNNXBMFYSA-N -1 1 325.239 4.375 20 10 EICDMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768265451 1045773292 /nfs/dbraw/zinc/77/32/92/1045773292.db2.gz DJUZRYKHAUQGDY-INIZCTEOSA-N -1 1 334.778 4.161 20 10 EICDMM O=C(CNc1cccc2c3ccccc3oc21)c1ccc([O-])c(O)c1 ZINC001170315362 1045995376 /nfs/dbraw/zinc/99/53/76/1045995376.db2.gz WEWNLHFNVQZZRN-UHFFFAOYSA-N -1 1 333.343 4.292 20 10 EICDMM O=C(CNc1nc2ccccc2c2ccccc21)c1ccc([O-])c(O)c1 ZINC001170320506 1045995459 /nfs/dbraw/zinc/99/54/59/1045995459.db2.gz DWYTZSUMEPKOFX-UHFFFAOYSA-N -1 1 344.370 4.094 20 10 EICDMM CN(Cc1cc(Cl)cn1C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000770306584 1046176809 /nfs/dbraw/zinc/17/68/09/1046176809.db2.gz ZADMIZZVVYRISW-UHFFFAOYSA-N -1 1 333.646 4.323 20 10 EICDMM COC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816567154 1048836545 /nfs/dbraw/zinc/83/65/45/1048836545.db2.gz RWLMUWMEZSYJAE-UHFFFAOYSA-N -1 1 342.729 4.114 20 10 EICDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001236793736 1050250915 /nfs/dbraw/zinc/25/09/15/1050250915.db2.gz OIXSLRZFNHBUJU-LBPRGKRZSA-N -1 1 328.161 4.268 20 10 EICDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])nn1-c1cc(C)cc(C)c1 ZINC001178331240 1050437087 /nfs/dbraw/zinc/43/70/87/1050437087.db2.gz NXPSDDWYQJEDTF-UHFFFAOYSA-N -1 1 343.377 4.393 20 10 EICDMM Cc1cccc(-c2nsc(NCc3cccc(Cl)c3[O-])n2)c1 ZINC001187862359 1050634252 /nfs/dbraw/zinc/63/42/52/1050634252.db2.gz UFRUFXUXFHOHIO-UHFFFAOYSA-N -1 1 331.828 4.485 20 10 EICDMM CC/C(=C/C(=O)NCc1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC001180410161 1050992681 /nfs/dbraw/zinc/99/26/81/1050992681.db2.gz KVHDNFMLDWARIQ-KAMYIIQDSA-N -1 1 329.827 4.464 20 10 EICDMM Cc1ccc(OC(C)C)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193228931 1051893195 /nfs/dbraw/zinc/89/31/95/1051893195.db2.gz AWNGBLBXGKKKCA-UHFFFAOYSA-N -1 1 335.787 4.099 20 10 EICDMM COc1cc(N[C@@H](C)c2cc(F)cc(F)c2[O-])ccc1OC(F)F ZINC000850563018 1053318286 /nfs/dbraw/zinc/31/82/86/1053318286.db2.gz ZVRQPRRLDLZLSC-QMMMGPOBSA-N -1 1 345.292 4.454 20 10 EICDMM CCCC(=CC(=O)NCc1cccc(Br)c1[O-])CCC ZINC000765737729 1053903045 /nfs/dbraw/zinc/90/30/45/1053903045.db2.gz XTIZFOIPZDWJCB-UHFFFAOYSA-N -1 1 340.261 4.298 20 10 EICDMM Cc1nc2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc2s1 ZINC001197953873 1054034326 /nfs/dbraw/zinc/03/43/26/1054034326.db2.gz HKNBDSWMILGWAF-UHFFFAOYSA-N -1 1 347.827 4.285 20 10 EICDMM CCC(=O)Nc1ccc(C)c(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001199600159 1054429526 /nfs/dbraw/zinc/42/95/26/1054429526.db2.gz UYFWYWALUYWKEY-UHFFFAOYSA-N -1 1 336.794 4.454 20 10 EICDMM COCCOCc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000858550835 1054515800 /nfs/dbraw/zinc/51/58/00/1054515800.db2.gz WBLKHYGQUYXRGG-GFCCVEGCSA-N -1 1 337.366 4.007 20 10 EICDMM CCCC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728194567 1019326099 /nfs/dbraw/zinc/32/60/99/1019326099.db2.gz AVWJLEZXVZWZOR-UHFFFAOYSA-N -1 1 339.435 4.093 20 10 EICDMM CCCC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728194567 1019326111 /nfs/dbraw/zinc/32/61/11/1019326111.db2.gz AVWJLEZXVZWZOR-UHFFFAOYSA-N -1 1 339.435 4.093 20 10 EICDMM Cc1nnc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000274189252 1022515040 /nfs/dbraw/zinc/51/50/40/1022515040.db2.gz JUGOWDCGFAJXKJ-RNFRBKRXSA-N -1 1 332.256 4.271 20 10 EICDMM CN(C(=O)C1CC1)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000896571431 1027606386 /nfs/dbraw/zinc/60/63/86/1027606386.db2.gz ONULXKMOJIQFDU-UHFFFAOYSA-N -1 1 330.815 4.031 20 10 EICDMM CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273458068 1037471298 /nfs/dbraw/zinc/47/12/98/1037471298.db2.gz HNFJFCUAKYRYHI-RKDXNWHRSA-N -1 1 343.258 4.352 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(Cc2ccccc2)c1 ZINC000790955155 1045634277 /nfs/dbraw/zinc/63/42/77/1045634277.db2.gz KRHKVVCBXGILAL-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM O=C(Nc1cccc(N2CCCC2)c1)c1cc2ccccc2cc1[O-] ZINC000917698305 1047068512 /nfs/dbraw/zinc/06/85/12/1047068512.db2.gz ZWADXSLLBYQMEC-UHFFFAOYSA-N -1 1 332.403 4.398 20 10 EICDMM CC[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000806153929 1047178555 /nfs/dbraw/zinc/17/85/55/1047178555.db2.gz BEXGPKDMUFFIKO-QGZVFWFLSA-N -1 1 342.830 4.249 20 10 EICDMM CC[C@H](Nc1ccc(NC(=O)COC)cc1)c1cccc(Cl)c1[O-] ZINC000806156064 1047179260 /nfs/dbraw/zinc/17/92/60/1047179260.db2.gz XCPLKTYTFXEXDC-INIZCTEOSA-N -1 1 348.830 4.194 20 10 EICDMM CC[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(Cl)c1[O-] ZINC000806157757 1047182700 /nfs/dbraw/zinc/18/27/00/1047182700.db2.gz ULTMVHLDCKXOIM-DYVFJYSZSA-N -1 1 344.842 4.212 20 10 EICDMM CC[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(Cl)c1[O-] ZINC000806157761 1047183348 /nfs/dbraw/zinc/18/33/48/1047183348.db2.gz ULTMVHLDCKXOIM-SUMWQHHRSA-N -1 1 344.842 4.212 20 10 EICDMM CC[C@@H](Nc1cc(C)cc(OCCO)c1)c1cccc(Cl)c1[O-] ZINC000806164111 1047186216 /nfs/dbraw/zinc/18/62/16/1047186216.db2.gz ZDHKNJCZUDSDJL-QGZVFWFLSA-N -1 1 335.831 4.288 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CCSC[C@H]1c1ccc(F)cc1 ZINC001142524632 1047498057 /nfs/dbraw/zinc/49/80/57/1047498057.db2.gz FAFRDDLRQRDRDO-INIZCTEOSA-N -1 1 339.382 4.100 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Oc2cccnc2)nc1 ZINC000790240850 1047540726 /nfs/dbraw/zinc/54/07/26/1047540726.db2.gz KMXTXDFZNWURCF-UHFFFAOYSA-N -1 1 345.761 4.379 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001142534244 1047552256 /nfs/dbraw/zinc/55/22/56/1047552256.db2.gz BDMQCCAVKGVDMQ-AWEZNQCLSA-N -1 1 339.332 4.295 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(OCC(F)F)cc1 ZINC000816523948 1048829828 /nfs/dbraw/zinc/82/98/28/1048829828.db2.gz KPQLGSWZVNPZKY-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])c(OC)cc1Cl ZINC000816528371 1048830655 /nfs/dbraw/zinc/83/06/55/1048830655.db2.gz ZSMNPPDIYDEDHD-UHFFFAOYSA-N -1 1 346.185 4.467 20 10 EICDMM Cc1cccc(C2(C(=O)NCc3cccc(Cl)c3[O-])CCC2)c1 ZINC001180409534 1050992730 /nfs/dbraw/zinc/99/27/30/1050992730.db2.gz AEEWEIOPLDQTAN-UHFFFAOYSA-N -1 1 329.827 4.092 20 10 EICDMM Cc1ccc(CCCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180410340 1050993662 /nfs/dbraw/zinc/99/36/62/1050993662.db2.gz NXYBAMNBUQVDAS-UHFFFAOYSA-N -1 1 331.843 4.383 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001180419589 1050995279 /nfs/dbraw/zinc/99/52/79/1050995279.db2.gz APUCYYTYIKOECR-RDJZCZTQSA-N -1 1 343.854 4.321 20 10 EICDMM CSc1ccc(CCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180421291 1050997763 /nfs/dbraw/zinc/99/77/63/1050997763.db2.gz YVHHNIDYZXKBII-UHFFFAOYSA-N -1 1 335.856 4.017 20 10 EICDMM CC[C@H](Nc1cccc(-n2nccn2)c1)c1cccc(Cl)c1[O-] ZINC000864024184 1053156618 /nfs/dbraw/zinc/15/66/18/1053156618.db2.gz WILAGZJLUYGNEE-INIZCTEOSA-N -1 1 328.803 4.190 20 10 EICDMM COc1ccc(NCc2cccc(Cl)c2[O-])c(Br)c1 ZINC000775756906 1053834538 /nfs/dbraw/zinc/83/45/38/1053834538.db2.gz CAUPHKYEGLXSOB-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000858312648 1054459895 /nfs/dbraw/zinc/45/98/95/1054459895.db2.gz ZKZBEBMJHBMAIT-SNVBAGLBSA-N -1 1 348.805 4.267 20 10 EICDMM C[C@H](NC1(c2c(F)cccc2F)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858603604 1054531568 /nfs/dbraw/zinc/53/15/68/1054531568.db2.gz CZBYBAYSTTVOOH-NSHDSACASA-N -1 1 348.349 4.309 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877843485 1055131378 /nfs/dbraw/zinc/13/13/78/1055131378.db2.gz NRZURDAZUVPBDQ-KRWDZBQOSA-N -1 1 348.805 4.407 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000877844004 1055133083 /nfs/dbraw/zinc/13/30/83/1055133083.db2.gz RKAFTSHDERWBNU-QGZVFWFLSA-N -1 1 348.805 4.407 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000890761805 1020424358 /nfs/dbraw/zinc/42/43/58/1020424358.db2.gz YQTPIFWTRBCTTG-QGZVFWFLSA-N -1 1 344.842 4.031 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc(N2CCCC2)cc1 ZINC000048796562 1026641450 /nfs/dbraw/zinc/64/14/50/1026641450.db2.gz IOBBHKZWORPNJF-UHFFFAOYSA-N -1 1 347.256 4.367 20 10 EICDMM Cc1cc(NCc2cccc(Br)c2[O-])cnc1Cl ZINC000225947729 1037864260 /nfs/dbraw/zinc/86/42/60/1037864260.db2.gz COBIRXSZQFUHRK-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(-c2cccs2)o1 ZINC001128606427 1043398699 /nfs/dbraw/zinc/39/86/99/1043398699.db2.gz GCMPDMIPIQIUQX-UHFFFAOYSA-N -1 1 345.767 4.450 20 10 EICDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2c3ccccc3sc21 ZINC000768274284 1045776848 /nfs/dbraw/zinc/77/68/48/1045776848.db2.gz PWPMREDVGNWRNW-OAHLLOKOSA-N -1 1 348.786 4.254 20 10 EICDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2ccsc2)c1[O-] ZINC000768330191 1045791009 /nfs/dbraw/zinc/79/10/09/1045791009.db2.gz PLWOKDVYCATRJB-ZDUSSCGKSA-N -1 1 338.816 4.352 20 10 EICDMM Cc1cc(Br)c([O-])c(CN[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786841573 1046878925 /nfs/dbraw/zinc/87/89/25/1046878925.db2.gz RJPMERNUGAIBMQ-LBPRGKRZSA-N -1 1 340.183 4.140 20 10 EICDMM CC[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(Cl)c1[O-] ZINC000806161193 1047184581 /nfs/dbraw/zinc/18/45/81/1047184581.db2.gz NWZJVTKGKCSXOM-QGZVFWFLSA-N -1 1 333.815 4.386 20 10 EICDMM CCNC(=O)Nc1cccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1C ZINC000788609147 1047230702 /nfs/dbraw/zinc/23/07/02/1047230702.db2.gz BWRWBLAMLYVUPL-LLVKDONJSA-N -1 1 349.381 4.293 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1c(F)cc(F)cc1F ZINC000815152203 1048351594 /nfs/dbraw/zinc/35/15/94/1048351594.db2.gz OWEHQGFXAKDHJC-UHFFFAOYSA-N -1 1 336.140 4.406 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1nccn1-c1ccccc1 ZINC000809776130 1048506405 /nfs/dbraw/zinc/50/64/05/1048506405.db2.gz VYBGEZFDGATXQY-UHFFFAOYSA-N -1 1 348.233 4.175 20 10 EICDMM COCCCOc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525625 1048831139 /nfs/dbraw/zinc/83/11/39/1048831139.db2.gz BPVVOSZCYGJAGJ-UHFFFAOYSA-N -1 1 339.794 4.212 20 10 EICDMM CCSCc1ccnc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816559124 1048835387 /nfs/dbraw/zinc/83/53/87/1048835387.db2.gz YZSCXNMBIAQMLY-UHFFFAOYSA-N -1 1 326.824 4.445 20 10 EICDMM COCCCCc1cccnc1NCc1cc(Cl)cc(F)c1[O-] ZINC000812808298 1049598251 /nfs/dbraw/zinc/59/82/51/1049598251.db2.gz BPYFNXOIAFTOSA-UHFFFAOYSA-N -1 1 338.810 4.161 20 10 EICDMM [O-]c1c(F)cc(Br)cc1CNc1ccc2ncccc2c1 ZINC001178045926 1050363513 /nfs/dbraw/zinc/36/35/13/1050363513.db2.gz AJVJCNIFBZXGGT-UHFFFAOYSA-N -1 1 347.187 4.454 20 10 EICDMM C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001193236528 1051888734 /nfs/dbraw/zinc/88/87/34/1051888734.db2.gz GSNHQAFMPNCCAX-INROXSABSA-N -1 1 349.858 4.086 20 10 EICDMM C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512146 1053270880 /nfs/dbraw/zinc/27/08/80/1053270880.db2.gz WRGOFCCZPYOGFE-YUMQZZPRSA-N -1 1 345.237 4.162 20 10 EICDMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877846642 1055135392 /nfs/dbraw/zinc/13/53/92/1055135392.db2.gz COLPNCYKIRDPJJ-CQSZACIVSA-N -1 1 341.169 4.034 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC(C(F)(F)F)CC1 ZINC000890759540 1020418369 /nfs/dbraw/zinc/41/83/69/1020418369.db2.gz NFTUCVIHJHTCLP-UHFFFAOYSA-N -1 1 335.753 4.031 20 10 EICDMM CC[C@@H](C)c1nnc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000277472307 1026130607 /nfs/dbraw/zinc/13/06/07/1026130607.db2.gz RQTROSRALJJMSW-BDAKNGLRSA-N -1 1 343.258 4.181 20 10 EICDMM O=C1CCCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc2N1 ZINC000191427946 1030626110 /nfs/dbraw/zinc/62/61/10/1030626110.db2.gz DWMMKXBGAPQUNJ-UHFFFAOYSA-N -1 1 334.778 4.072 20 10 EICDMM CC(C)c1nnc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273458059 1037470682 /nfs/dbraw/zinc/47/06/82/1037470682.db2.gz HNFJFCUAKYRYHI-BDAKNGLRSA-N -1 1 343.258 4.352 20 10 EICDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000151874187 1042523859 /nfs/dbraw/zinc/52/38/59/1042523859.db2.gz HBUQARIHPRVYTI-UHFFFAOYSA-N -1 1 339.416 4.168 20 10 EICDMM O=C1CCC[C@@H](c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)N1 ZINC000895894784 1044969576 /nfs/dbraw/zinc/96/95/76/1044969576.db2.gz QEYACGLWIOFCJI-INIZCTEOSA-N -1 1 348.805 4.138 20 10 EICDMM CCC(=O)Nc1ccc(C)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790951371 1045633829 /nfs/dbraw/zinc/63/38/29/1045633829.db2.gz LPTDQJDVDRIOEC-UHFFFAOYSA-N -1 1 336.794 4.454 20 10 EICDMM CC[C@@H](C)n1ncc(NCc2cccc(Br)c2[O-])c1C ZINC000791003067 1045655748 /nfs/dbraw/zinc/65/57/48/1045655748.db2.gz DQABBTDVZSYYQY-SNVBAGLBSA-N -1 1 338.249 4.243 20 10 EICDMM Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000792166863 1045870449 /nfs/dbraw/zinc/87/04/49/1045870449.db2.gz ULJVWRYFOMBZAY-ZDUSSCGKSA-N -1 1 340.851 4.459 20 10 EICDMM CCc1ccc([C@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000792188827 1045875728 /nfs/dbraw/zinc/87/57/28/1045875728.db2.gz LYRYOPNZSVZHIW-GOSISDBHSA-N -1 1 331.843 4.182 20 10 EICDMM Cc1ccc(-c2ccccc2)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170322716 1045998258 /nfs/dbraw/zinc/99/82/58/1045998258.db2.gz NNEAGKBNFIYCMS-UHFFFAOYSA-N -1 1 333.387 4.368 20 10 EICDMM CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786987176 1046891377 /nfs/dbraw/zinc/89/13/77/1046891377.db2.gz DEOFWIDOHFYWSU-NSHDSACASA-N -1 1 349.381 4.293 20 10 EICDMM O=C(Nc1cccc(N2CCCC2)c1)c1ccc2ccccc2c1[O-] ZINC000917698252 1047067239 /nfs/dbraw/zinc/06/72/39/1047067239.db2.gz WXCHHCGKCAAMPK-UHFFFAOYSA-N -1 1 332.403 4.398 20 10 EICDMM CC[C@@H](Nc1cccc2c1oc(=O)n2C)c1cccc(Cl)c1[O-] ZINC000806154775 1047177650 /nfs/dbraw/zinc/17/76/50/1047177650.db2.gz JXXRMZKTXWUXIN-GFCCVEGCSA-N -1 1 332.787 4.054 20 10 EICDMM CCNC(=O)c1cccc(N[C@H](CC)c2cccc(Cl)c2[O-])c1 ZINC000806155579 1047180299 /nfs/dbraw/zinc/18/02/99/1047180299.db2.gz RZOFPPMWYBISKY-MRXNPFEDSA-N -1 1 332.831 4.359 20 10 EICDMM [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001142509056 1047434261 /nfs/dbraw/zinc/43/42/61/1047434261.db2.gz VRPLSZGQEDYBNG-UHFFFAOYSA-N -1 1 340.373 4.268 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001142534245 1047553374 /nfs/dbraw/zinc/55/33/74/1047553374.db2.gz BDMQCCAVKGVDMQ-CQSZACIVSA-N -1 1 339.332 4.295 20 10 EICDMM CCC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765763595 1047928704 /nfs/dbraw/zinc/92/87/04/1047928704.db2.gz FEACQNPZZQZMTB-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN[C@H](c2ccccc2)C(F)F)c1[O-] ZINC000814650994 1048101304 /nfs/dbraw/zinc/10/13/04/1048101304.db2.gz VQSRGQCGIXVFNU-OAHLLOKOSA-N -1 1 339.769 4.344 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccccc1OCC(F)F ZINC000816524268 1048829594 /nfs/dbraw/zinc/82/95/94/1048829594.db2.gz YQQSOKNXSROGQL-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM CC(C)C(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522678 1048830024 /nfs/dbraw/zinc/83/00/24/1048830024.db2.gz JZTDBHWCJRAAOB-UHFFFAOYSA-N -1 1 336.794 4.391 20 10 EICDMM CO[C@H]1CCOc2c(NCc3cc(Cl)c(F)cc3[O-])cccc21 ZINC000816595058 1048840166 /nfs/dbraw/zinc/84/01/66/1048840166.db2.gz XZAVVGHRJLIFDG-INIZCTEOSA-N -1 1 337.778 4.267 20 10 EICDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC001136334661 1049491660 /nfs/dbraw/zinc/49/16/60/1049491660.db2.gz BGESDYBAIQKZBQ-UHFFFAOYSA-N -1 1 346.858 4.162 20 10 EICDMM [O-]c1c(F)cc(F)cc1CNc1cccc(OCc2cccnc2)c1 ZINC001177345353 1050197233 /nfs/dbraw/zinc/19/72/33/1050197233.db2.gz DOJDUPJJGNIIPT-UHFFFAOYSA-N -1 1 342.345 4.257 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC001178469472 1050477205 /nfs/dbraw/zinc/47/72/05/1050477205.db2.gz PEGCXEJWEGJWBT-LBPRGKRZSA-N -1 1 346.160 4.201 20 10 EICDMM CN(Cc1cc(F)c(F)cc1[O-])[C@H](c1ccccc1)C(F)(F)F ZINC001180213662 1050916006 /nfs/dbraw/zinc/91/60/06/1050916006.db2.gz WVUSCWYVHKLWAZ-OAHLLOKOSA-N -1 1 331.284 4.406 20 10 EICDMM C/C(=C/c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410501 1050991405 /nfs/dbraw/zinc/99/14/05/1050991405.db2.gz QSZWFAQLVQKYRY-LUAWRHEFSA-N -1 1 336.218 4.419 20 10 EICDMM CC/C(=C/C(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001180410994 1050995262 /nfs/dbraw/zinc/99/52/62/1050995262.db2.gz WFCMIOKTKSRMKN-QBFSEMIESA-N -1 1 345.826 4.164 20 10 EICDMM CCCCN(Cc1ccccc1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193226113 1051891537 /nfs/dbraw/zinc/89/15/37/1051891537.db2.gz XXIZIXKNJIHDSX-UHFFFAOYSA-N -1 1 333.815 4.194 20 10 EICDMM O=C(CCC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765726391 1053875610 /nfs/dbraw/zinc/87/56/10/1053875610.db2.gz GVKVTLWYQIAZFN-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN[C@H](c1ccccc1)c1ccccn1 ZINC001198919303 1054303937 /nfs/dbraw/zinc/30/39/37/1054303937.db2.gz WQNRFRNLXVZUCD-GOSISDBHSA-N -1 1 342.801 4.459 20 10 EICDMM CSc1ccc(NCc2cc(Br)cc(F)c2[O-])nc1 ZINC001201178339 1054706104 /nfs/dbraw/zinc/70/61/04/1054706104.db2.gz BIVACRFLMOSGJC-UHFFFAOYSA-N -1 1 343.221 4.023 20 10 EICDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194887 1019323527 /nfs/dbraw/zinc/32/35/27/1019323527.db2.gz DHKIAJQFYMUFFM-UHFFFAOYSA-N -1 1 339.435 4.093 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000890758055 1020409949 /nfs/dbraw/zinc/40/99/49/1020409949.db2.gz QPFIWUZGRHZTJE-GXSJLCMTSA-N -1 1 335.753 4.031 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cccc2cccnc21 ZINC000048794603 1026397021 /nfs/dbraw/zinc/39/70/21/1026397021.db2.gz OILIGZSSMXZVBO-UHFFFAOYSA-N -1 1 329.197 4.315 20 10 EICDMM O=C1CCC[C@@H](c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)N1 ZINC000895891834 1044966621 /nfs/dbraw/zinc/96/66/21/1044966621.db2.gz DZPNVGBHFWYBIO-INIZCTEOSA-N -1 1 348.805 4.138 20 10 EICDMM Cc1cn(-c2ccccc2)nc1NCc1c([O-])ccc(Cl)c1F ZINC000790976932 1045664331 /nfs/dbraw/zinc/66/43/31/1045664331.db2.gz BEZWRDRETGNMCZ-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM CC(=O)N1CCCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000790979417 1045665959 /nfs/dbraw/zinc/66/59/59/1045665959.db2.gz WBCQBMULMICNEX-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM Cn1cccc1[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769537193 1046012102 /nfs/dbraw/zinc/01/21/02/1046012102.db2.gz IQWJHNKDPDKJLH-HNNXBMFYSA-N -1 1 349.818 4.020 20 10 EICDMM CCCN(Cc1ccccc1O)C(=O)c1cc2ccccc2cc1[O-] ZINC000769995083 1046126182 /nfs/dbraw/zinc/12/61/82/1046126182.db2.gz WTRCZBHVOXEFKQ-UHFFFAOYSA-N -1 1 335.403 4.303 20 10 EICDMM CC[C@H](NCc1ncccc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148108 1047170495 /nfs/dbraw/zinc/17/04/95/1047170495.db2.gz CLMAXNUNJLDPQJ-ZDUSSCGKSA-N -1 1 329.202 4.474 20 10 EICDMM Cn1ncc(NCc2c([O-])ccc(Cl)c2F)c1-c1ccccc1 ZINC000808423388 1047886475 /nfs/dbraw/zinc/88/64/75/1047886475.db2.gz BBLKWSZHOXKXOY-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM CC(C)C(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523023 1048829253 /nfs/dbraw/zinc/82/92/53/1048829253.db2.gz ZAESZLKADHMDMZ-UHFFFAOYSA-N -1 1 336.794 4.391 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(N2CCCCC2)nc1 ZINC000816563602 1048837492 /nfs/dbraw/zinc/83/74/92/1048837492.db2.gz CXLDBNCGGBJZOQ-UHFFFAOYSA-N -1 1 335.810 4.182 20 10 EICDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])c(C)c(OC)c1 ZINC000816600039 1048842429 /nfs/dbraw/zinc/84/24/29/1048842429.db2.gz INGXIYUITJETTA-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000921261478 1048895407 /nfs/dbraw/zinc/89/54/07/1048895407.db2.gz FULMWQFQGWFUHF-LHHJGKSTSA-N -1 1 349.383 4.246 20 10 EICDMM C[C@@H]1CCc2sc(C(=O)NCc3cccc(Cl)c3[O-])cc2C1 ZINC001180409831 1050993729 /nfs/dbraw/zinc/99/37/29/1050993729.db2.gz FVYDPJNCFCNCIN-SNVBAGLBSA-N -1 1 335.856 4.162 20 10 EICDMM O=C(c1ccncc1)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175270653 1051508856 /nfs/dbraw/zinc/50/88/56/1051508856.db2.gz GMLUWRMADSQNDG-UHFFFAOYSA-N -1 1 326.302 4.040 20 10 EICDMM Cc1cscc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001175769310 1051775228 /nfs/dbraw/zinc/77/52/28/1051775228.db2.gz NSSQPJGGXKHGDY-UHFFFAOYSA-N -1 1 335.384 4.281 20 10 EICDMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(O)c([O-])c1Cl ZINC001193236636 1051888866 /nfs/dbraw/zinc/88/88/66/1051888866.db2.gz KONKCDODRNKLBC-QGZVFWFLSA-N -1 1 345.826 4.413 20 10 EICDMM O=C(NC1CCC(c2ccccc2)CC1)c1ccc(O)c([O-])c1Cl ZINC001193236708 1051889319 /nfs/dbraw/zinc/88/93/19/1051889319.db2.gz NZIVUHYLMRQKSX-UHFFFAOYSA-N -1 1 345.826 4.207 20 10 EICDMM CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000850498796 1053258549 /nfs/dbraw/zinc/25/85/49/1053258549.db2.gz DHRACFNCLPKLHA-AQUOVQTQSA-N -1 1 341.242 4.037 20 10 EICDMM Cc1cc(C)cc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765212892 1053468716 /nfs/dbraw/zinc/46/87/16/1053468716.db2.gz VAGAMADDHZIWLE-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775715065 1053663916 /nfs/dbraw/zinc/66/39/16/1053663916.db2.gz BGEAEPGAOHNUKA-SJCJKPOMSA-N -1 1 335.806 4.147 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000775750875 1053815506 /nfs/dbraw/zinc/81/55/06/1053815506.db2.gz VCVZXEBPILVFJV-ZWKOTPCHSA-N -1 1 347.842 4.340 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000775750867 1053816226 /nfs/dbraw/zinc/81/62/26/1053816226.db2.gz VCVZXEBPILVFJV-MSOLQXFVSA-N -1 1 347.842 4.340 20 10 EICDMM COc1ccc(Cl)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001197916131 1054020945 /nfs/dbraw/zinc/02/09/45/1054020945.db2.gz BYWHWOYMHXJOBV-UHFFFAOYSA-N -1 1 341.194 4.029 20 10 EICDMM CC1(CC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765756047 1054082612 /nfs/dbraw/zinc/08/26/12/1054082612.db2.gz KKIRABHLPRVYSK-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM CC1(C)COc2ccc(NCc3cccc(Cl)c3[O-])cc2NC1=O ZINC000877772342 1055120087 /nfs/dbraw/zinc/12/00/87/1055120087.db2.gz ZSTJSCFKCCPQKV-UHFFFAOYSA-N -1 1 346.814 4.015 20 10 EICDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1OC1CCCC1 ZINC000742429486 1058627315 /nfs/dbraw/zinc/62/73/15/1058627315.db2.gz RULAFBLLYPCSAO-JYRVWZFOSA-N -1 1 339.869 4.150 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001203574234 1051879339 /nfs/dbraw/zinc/87/93/39/1051879339.db2.gz QPTVXVKGNFEFAV-NSHDSACASA-N -1 1 328.161 4.268 20 10 EICDMM CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834893841 1023338481 /nfs/dbraw/zinc/33/84/81/1023338481.db2.gz HHBNHHQXBPQVIS-VHSXEESVSA-N -1 1 328.243 4.327 20 10 EICDMM C[C@H](NCc1cccc(Cl)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000278995124 1025906547 /nfs/dbraw/zinc/90/65/47/1025906547.db2.gz JTPNWKOYTBMDKC-ZETCQYMHSA-N -1 1 336.766 4.372 20 10 EICDMM CCOc1cc(NCc2cccc(Br)c2[O-])ccc1C ZINC000689633222 1030999528 /nfs/dbraw/zinc/99/95/28/1030999528.db2.gz JONUAMSEWQGJDS-UHFFFAOYSA-N -1 1 336.229 4.474 20 10 EICDMM CCc1ccc([C@H](COC)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000174481996 1038961752 /nfs/dbraw/zinc/96/17/52/1038961752.db2.gz PTPCJOXNENNTOC-AWEZNQCLSA-N -1 1 344.238 4.332 20 10 EICDMM COc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c([O-])c1 ZINC000740801322 1045225032 /nfs/dbraw/zinc/22/50/32/1045225032.db2.gz WYYBOLPAYGKLFC-UHFFFAOYSA-N -1 1 340.423 4.034 20 10 EICDMM COc1cc(OC)c(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000790950729 1045635224 /nfs/dbraw/zinc/63/52/24/1045635224.db2.gz CLZLOBKGFGLAIX-UHFFFAOYSA-N -1 1 346.185 4.467 20 10 EICDMM CCc1ccc([C@@H]2CN(Cc3cccc(Cl)c3[O-])CCO2)cc1 ZINC000792188829 1045876563 /nfs/dbraw/zinc/87/65/63/1045876563.db2.gz LYRYOPNZSVZHIW-SFHVURJKSA-N -1 1 331.843 4.182 20 10 EICDMM COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c2ncccc12 ZINC000770000515 1046125978 /nfs/dbraw/zinc/12/59/78/1046125978.db2.gz FKMMMSXYQKNTKO-SNVBAGLBSA-N -1 1 330.334 4.400 20 10 EICDMM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cc(F)cc(F)c1[O-] ZINC000757612153 1047349751 /nfs/dbraw/zinc/34/97/51/1047349751.db2.gz NKGJHAFXPKIERV-CHWSQXEVSA-N -1 1 348.393 4.069 20 10 EICDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1Cl ZINC000789977677 1047497080 /nfs/dbraw/zinc/49/70/80/1047497080.db2.gz XDFKMDOPUDPAIH-SSDOTTSWSA-N -1 1 344.169 4.035 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001142524633 1047498777 /nfs/dbraw/zinc/49/87/77/1047498777.db2.gz FAFRDDLRQRDRDO-MRXNPFEDSA-N -1 1 339.382 4.100 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(Oc2cnccn2)c1 ZINC000816522655 1048829396 /nfs/dbraw/zinc/82/93/96/1048829396.db2.gz JIPAYKHCTMNHMX-UHFFFAOYSA-N -1 1 345.761 4.379 20 10 EICDMM [O-]c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1Cl ZINC000816612691 1048843036 /nfs/dbraw/zinc/84/30/36/1048843036.db2.gz VYLGXCWIHMGQIG-UHFFFAOYSA-N -1 1 332.614 4.348 20 10 EICDMM CSCc1cnc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000816612663 1048844241 /nfs/dbraw/zinc/84/42/41/1048844241.db2.gz VPSAJKXUESSKBC-UHFFFAOYSA-N -1 1 349.308 4.308 20 10 EICDMM Cc1cccc2nc(NCc3cccc(Br)c3[O-])oc21 ZINC000811839385 1049289651 /nfs/dbraw/zinc/28/96/51/1049289651.db2.gz CPDNGDLQINTWQE-UHFFFAOYSA-N -1 1 333.185 4.216 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1ncnc2sc3c(c21)CCC3 ZINC001187862332 1050634141 /nfs/dbraw/zinc/63/41/41/1050634141.db2.gz SPDVMBZRPGVQBC-UHFFFAOYSA-N -1 1 331.828 4.151 20 10 EICDMM COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117232 1050889541 /nfs/dbraw/zinc/88/95/41/1050889541.db2.gz UXMSUHYNOBRSRD-HNNXBMFYSA-N -1 1 335.806 4.010 20 10 EICDMM Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1O ZINC001189386091 1050976434 /nfs/dbraw/zinc/97/64/34/1050976434.db2.gz UKUXKGLRGSKVAC-UHFFFAOYSA-N -1 1 345.395 4.102 20 10 EICDMM CC[C@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001180409928 1050993407 /nfs/dbraw/zinc/99/34/07/1050993407.db2.gz JTQGZEBPKNNXSB-CYBMUJFWSA-N -1 1 347.842 4.254 20 10 EICDMM O=C(NCCCCC1CCCCC1)c1ccc(O)c([O-])c1Cl ZINC001193247388 1051890462 /nfs/dbraw/zinc/89/04/62/1051890462.db2.gz WXHRPYXWQCUAMV-UHFFFAOYSA-N -1 1 325.836 4.232 20 10 EICDMM Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)ccc1O ZINC001194429021 1052153658 /nfs/dbraw/zinc/15/36/58/1052153658.db2.gz PXUBMZPENNEOJB-UHFFFAOYSA-N -1 1 347.823 4.308 20 10 EICDMM CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499660 1053260224 /nfs/dbraw/zinc/26/02/24/1053260224.db2.gz UIRRNOPTAMUJBP-JFUSQASVSA-N -1 1 341.242 4.037 20 10 EICDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001195156768 1053307295 /nfs/dbraw/zinc/30/72/95/1053307295.db2.gz PXCLFWDJXRXRRY-UHFFFAOYSA-N -1 1 341.432 4.470 20 10 EICDMM [O-]c1c(Br)cccc1CNc1nccc2ccc(F)cc21 ZINC000764934008 1053384317 /nfs/dbraw/zinc/38/43/17/1053384317.db2.gz HILATDFIUMRQCM-UHFFFAOYSA-N -1 1 347.187 4.454 20 10 EICDMM Cc1nc2ccccc2nc1NCc1cccc(Br)c1[O-] ZINC000764933025 1053386070 /nfs/dbraw/zinc/38/60/70/1053386070.db2.gz BLMAUQCGOBEDSY-UHFFFAOYSA-N -1 1 344.212 4.018 20 10 EICDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1C(=O)N1CCCC1 ZINC000775756424 1053827104 /nfs/dbraw/zinc/82/71/04/1053827104.db2.gz BSRGPZATQAQWEA-UHFFFAOYSA-N -1 1 344.842 4.202 20 10 EICDMM CC1(C)COc2cc(NCc3cccc(Cl)c3[O-])ccc2NC1=O ZINC000877703256 1055110003 /nfs/dbraw/zinc/11/00/03/1055110003.db2.gz YJULLCIMWGBRLD-UHFFFAOYSA-N -1 1 346.814 4.015 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000890758061 1020411353 /nfs/dbraw/zinc/41/13/53/1020411353.db2.gz QPFIWUZGRHZTJE-MWLCHTKSSA-N -1 1 335.753 4.031 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1scnc1C1CCCC1 ZINC000890759138 1020418252 /nfs/dbraw/zinc/41/82/52/1020418252.db2.gz DKEOPHLZDYICLG-UHFFFAOYSA-N -1 1 336.844 4.090 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000890761064 1020425274 /nfs/dbraw/zinc/42/52/74/1020425274.db2.gz JRILDTSERPVVAV-GHMZBOCLSA-N -1 1 335.753 4.031 20 10 EICDMM Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000781892873 1023325746 /nfs/dbraw/zinc/32/57/46/1023325746.db2.gz FWKUUJRETDJBLW-OAHLLOKOSA-N -1 1 335.245 4.128 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cc(F)c(F)c(F)c1 ZINC000061099630 1026352262 /nfs/dbraw/zinc/35/22/62/1026352262.db2.gz JOVUGHKPXWWGAT-UHFFFAOYSA-N -1 1 332.119 4.184 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cccc(OC(F)F)c1 ZINC000048796117 1026421857 /nfs/dbraw/zinc/42/18/57/1026421857.db2.gz LZRLCAJPUNGBGG-UHFFFAOYSA-N -1 1 344.155 4.368 20 10 EICDMM CN(Cc1ccc(F)cc1)Cc1c([O-])cc(Br)cc1F ZINC001233026946 1040083164 /nfs/dbraw/zinc/08/31/64/1040083164.db2.gz IYHSQAFAGMAGKD-UHFFFAOYSA-N -1 1 342.183 4.065 20 10 EICDMM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(Cl)c1[O-] ZINC000731496097 1043770456 /nfs/dbraw/zinc/77/04/56/1043770456.db2.gz APMHKHHGQVVIPM-HNNXBMFYSA-N -1 1 337.206 4.285 20 10 EICDMM CO[C@H]1CCOc2c(NCc3cc(Cl)cc(F)c3[O-])cccc21 ZINC000790945156 1045632173 /nfs/dbraw/zinc/63/21/73/1045632173.db2.gz HNMACNWVCOBXCA-HNNXBMFYSA-N -1 1 337.778 4.267 20 10 EICDMM COCCOc1cc(C)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000790951349 1045633907 /nfs/dbraw/zinc/63/39/07/1045633907.db2.gz LESKIYGDVIAPFH-UHFFFAOYSA-N -1 1 339.794 4.130 20 10 EICDMM CC[C@H](C)n1ncc(NCc2cccc(Br)c2[O-])c1C ZINC000791003064 1045656613 /nfs/dbraw/zinc/65/66/13/1045656613.db2.gz DQABBTDVZSYYQY-JTQLQIEISA-N -1 1 338.249 4.243 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(-c2ccccc2F)c1 ZINC000790982186 1045669374 /nfs/dbraw/zinc/66/93/74/1045669374.db2.gz RLPABDFPDDFIJE-UHFFFAOYSA-N -1 1 335.741 4.122 20 10 EICDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000768338073 1045793049 /nfs/dbraw/zinc/79/30/49/1045793049.db2.gz YUUSVJRSIZKJTH-UHFFFAOYSA-N -1 1 341.194 4.239 20 10 EICDMM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230030 1046177324 /nfs/dbraw/zinc/17/73/24/1046177324.db2.gz CLYPFUVTQPSTSX-OIBJUYFYSA-N -1 1 328.161 4.472 20 10 EICDMM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230029 1046177358 /nfs/dbraw/zinc/17/73/58/1046177358.db2.gz CLYPFUVTQPSTSX-GMSGAONNSA-N -1 1 328.161 4.472 20 10 EICDMM CCNC(=O)Nc1ccc(C)c(N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000786987174 1046892173 /nfs/dbraw/zinc/89/21/73/1046892173.db2.gz DEOFWIDOHFYWSU-LLVKDONJSA-N -1 1 349.381 4.293 20 10 EICDMM O=C1[N-]C(=S)S/C1=C\c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000789129409 1047368828 /nfs/dbraw/zinc/36/88/28/1047368828.db2.gz ZUHVVNDSHYQVAV-ZROIWOOFSA-N -1 1 331.849 4.496 20 10 EICDMM CO[C@H]1CCOc2c(N[C@@H](C)c3cc(F)cc(F)c3[O-])cccc21 ZINC000790498154 1047598948 /nfs/dbraw/zinc/59/89/48/1047598948.db2.gz ATMVDXVGUSWCFD-QFYYESIMSA-N -1 1 335.350 4.314 20 10 EICDMM CO[C@@H]1CCOc2c(N[C@H](C)c3cc(F)cc(F)c3[O-])cccc21 ZINC000790498156 1047599574 /nfs/dbraw/zinc/59/95/74/1047599574.db2.gz ATMVDXVGUSWCFD-QLJPJBMISA-N -1 1 335.350 4.314 20 10 EICDMM COc1cc(F)c(F)cc1NCc1cccc(Br)c1[O-] ZINC000810164875 1048665842 /nfs/dbraw/zinc/66/58/42/1048665842.db2.gz QLGBVSZGGQCYNS-UHFFFAOYSA-N -1 1 344.155 4.054 20 10 EICDMM CCOc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1OC ZINC000816522464 1048828257 /nfs/dbraw/zinc/82/82/57/1048828257.db2.gz APSPLEQTXOMARA-UHFFFAOYSA-N -1 1 325.767 4.204 20 10 EICDMM CCc1nnc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)o1 ZINC000816527717 1048831108 /nfs/dbraw/zinc/83/11/08/1048831108.db2.gz WAINKNIKFLNOLO-UHFFFAOYSA-N -1 1 347.777 4.409 20 10 EICDMM COc1cc(NCc2cc(Cl)cc(F)c2[O-])cc(OC)c1C ZINC000816620363 1048845044 /nfs/dbraw/zinc/84/50/44/1048845044.db2.gz RTHVRCRBWULNAE-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cnn1-c1ccccc1F ZINC001178218752 1050414934 /nfs/dbraw/zinc/41/49/34/1050414934.db2.gz YEFYYODHUUACNT-UHFFFAOYSA-N -1 1 349.768 4.430 20 10 EICDMM COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117233 1050890892 /nfs/dbraw/zinc/89/08/92/1050890892.db2.gz UXMSUHYNOBRSRD-OAHLLOKOSA-N -1 1 335.806 4.010 20 10 EICDMM Cc1cc(C(=O)NCC(C)C)ccc1NCc1cccc(Cl)c1[O-] ZINC001182250325 1051443336 /nfs/dbraw/zinc/44/33/36/1051443336.db2.gz IUGXJXCUUYOOSO-UHFFFAOYSA-N -1 1 346.858 4.352 20 10 EICDMM CCc1nnc([C@@H](C)N[C@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524101 1051699312 /nfs/dbraw/zinc/69/93/12/1051699312.db2.gz CODAXTZHYVYNRR-LDYMZIIASA-N -1 1 343.258 4.181 20 10 EICDMM CCc1nnc([C@@H](C)N[C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524097 1051699603 /nfs/dbraw/zinc/69/96/03/1051699603.db2.gz CODAXTZHYVYNRR-KCJUWKMLSA-N -1 1 343.258 4.181 20 10 EICDMM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC001183023019 1051772491 /nfs/dbraw/zinc/77/24/91/1051772491.db2.gz CFRJHUVOZFOSSH-UHFFFAOYSA-N -1 1 341.879 4.235 20 10 EICDMM CC(C)[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccc(F)cc1 ZINC001193236676 1051889008 /nfs/dbraw/zinc/88/90/08/1051889008.db2.gz MPVFSVAHHCUAJM-HNNXBMFYSA-N -1 1 337.778 4.017 20 10 EICDMM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193247172 1051890077 /nfs/dbraw/zinc/89/00/77/1051890077.db2.gz NPUBBJPPYATXMP-GFCCVEGCSA-N -1 1 347.842 4.441 20 10 EICDMM Cc1[nH]c2c(cccc2NC(=O)c2ccc(O)c([O-])c2Cl)c1C ZINC001193230033 1051893398 /nfs/dbraw/zinc/89/33/98/1051893398.db2.gz PCSVTNKZXGANNM-UHFFFAOYSA-N -1 1 330.771 4.102 20 10 EICDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c2ccccc12 ZINC001193865304 1052018952 /nfs/dbraw/zinc/01/89/52/1052018952.db2.gz XYAJUWJLTPTVGN-UHFFFAOYSA-N -1 1 347.823 4.308 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccnc2c(F)cccc12 ZINC000764935476 1053385823 /nfs/dbraw/zinc/38/58/23/1053385823.db2.gz UZTCIHFRQUNWQX-UHFFFAOYSA-N -1 1 347.187 4.454 20 10 EICDMM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775715067 1053663393 /nfs/dbraw/zinc/66/33/93/1053663393.db2.gz BGEAEPGAOHNUKA-SJKOYZFVSA-N -1 1 335.806 4.147 20 10 EICDMM COCCOc1c(Cl)cccc1NCc1cccc(Cl)c1[O-] ZINC000775755786 1053823218 /nfs/dbraw/zinc/82/32/18/1053823218.db2.gz QQCNREJLDVYINC-UHFFFAOYSA-N -1 1 342.222 4.336 20 10 EICDMM C[C@H]1CC(=O)N(C)c2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000862535860 1055080400 /nfs/dbraw/zinc/08/04/00/1055080400.db2.gz ANZTXBYDIDDDHR-NSHDSACASA-N -1 1 330.815 4.128 20 10 EICDMM O=C(CC1CCC(C(F)(F)F)CC1)NCc1cccc(Cl)c1[O-] ZINC000890759682 1020418890 /nfs/dbraw/zinc/41/88/90/1020418890.db2.gz OPUUPKFNWFVSMB-UHFFFAOYSA-N -1 1 349.780 4.421 20 10 EICDMM COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756797377 1024857164 /nfs/dbraw/zinc/85/71/64/1024857164.db2.gz ZUGHHRKNDDLFBZ-VIFPVBQESA-N -1 1 340.192 4.476 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cnc2ccccc2c1 ZINC000048796067 1026421836 /nfs/dbraw/zinc/42/18/36/1026421836.db2.gz FWAMNLGSLSQTLH-UHFFFAOYSA-N -1 1 329.197 4.315 20 10 EICDMM COc1cc(OC)c(NCc2cccc(Cl)c2[O-])cc1Cl ZINC000158037320 1038326532 /nfs/dbraw/zinc/32/65/32/1038326532.db2.gz ODEPXJUWUZDPAH-UHFFFAOYSA-N -1 1 328.195 4.328 20 10 EICDMM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1ccc(F)cc1 ZINC000741136282 1045274090 /nfs/dbraw/zinc/27/40/90/1045274090.db2.gz NYLWWAWTFHCSGZ-UHFFFAOYSA-N -1 1 348.443 4.007 20 10 EICDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2cccs2)c1[O-] ZINC000768196602 1045752933 /nfs/dbraw/zinc/75/29/33/1045752933.db2.gz SBBKFBQSOQWRMC-GFCCVEGCSA-N -1 1 338.816 4.352 20 10 EICDMM Cc1ccn(-c2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2)n1 ZINC000793628184 1046316667 /nfs/dbraw/zinc/31/66/67/1046316667.db2.gz SBTSMUDUFLOALI-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000917117121 1046730254 /nfs/dbraw/zinc/73/02/54/1046730254.db2.gz JGMCPNOIYSXHFP-UHFFFAOYSA-N -1 1 346.430 4.076 20 10 EICDMM CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)[N-]C1=O ZINC000806569392 1047310707 /nfs/dbraw/zinc/31/07/07/1047310707.db2.gz SLUYPFXLRJGBBH-XSIURBDDSA-N -1 1 329.368 4.141 20 10 EICDMM Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000789902347 1047490510 /nfs/dbraw/zinc/49/05/10/1047490510.db2.gz MMOHVDLKNYTSQN-UHFFFAOYSA-N -1 1 326.179 4.318 20 10 EICDMM Cc1nc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)no1 ZINC000816526190 1048830760 /nfs/dbraw/zinc/83/07/60/1048830760.db2.gz WWGPZSWUBKVLIJ-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410865 1050996746 /nfs/dbraw/zinc/99/67/46/1050996746.db2.gz TWOYZNWOZJKPAP-UHFFFAOYSA-N -1 1 349.217 4.419 20 10 EICDMM CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499661 1053259226 /nfs/dbraw/zinc/25/92/26/1053259226.db2.gz UIRRNOPTAMUJBP-KPXOXKRLSA-N -1 1 341.242 4.037 20 10 EICDMM Cc1ccc2ncnc(NCc3cccc(Br)c3[O-])c2c1 ZINC000764934877 1053388864 /nfs/dbraw/zinc/38/88/64/1053388864.db2.gz PYVIRWNOBHBSQG-UHFFFAOYSA-N -1 1 344.212 4.018 20 10 EICDMM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775658112 1053423642 /nfs/dbraw/zinc/42/36/42/1053423642.db2.gz MBGGZDLCTBPRTC-KRWDZBQOSA-N -1 1 341.842 4.269 20 10 EICDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000852087402 1053548653 /nfs/dbraw/zinc/54/86/53/1053548653.db2.gz JNDFAQYTFSYJLU-CQSZACIVSA-N -1 1 344.842 4.023 20 10 EICDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000852087400 1053549233 /nfs/dbraw/zinc/54/92/33/1053549233.db2.gz JNDFAQYTFSYJLU-AWEZNQCLSA-N -1 1 344.842 4.023 20 10 EICDMM Cc1ccccc1[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775715467 1053663974 /nfs/dbraw/zinc/66/39/74/1053663974.db2.gz XQCULVTZNDQDNC-KDOFPFPSSA-N -1 1 331.843 4.316 20 10 EICDMM C[C@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866417352 1053721642 /nfs/dbraw/zinc/72/16/42/1053721642.db2.gz ODNJAGMSZGOBGX-VXJOIVPMSA-N -1 1 347.283 4.439 20 10 EICDMM C[C@H](CCC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755189 1053997621 /nfs/dbraw/zinc/99/76/21/1053997621.db2.gz HWIUUIJQTLWNLO-LLVKDONJSA-N -1 1 342.277 4.233 20 10 EICDMM CCC(=O)N1CCc2ccc(N[C@@H](C)c3cc(F)cc(F)c3[O-])cc21 ZINC000903279332 1055568261 /nfs/dbraw/zinc/56/82/61/1055568261.db2.gz MPJMIMHUMSECEL-NSHDSACASA-N -1 1 346.377 4.143 20 10 EICDMM CC[C@H](C)n1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C1CC1 ZINC000890759444 1020419268 /nfs/dbraw/zinc/41/92/68/1020419268.db2.gz BTMUMRCWWRAXGV-NSHDSACASA-N -1 1 347.846 4.021 20 10 EICDMM COc1ccc(Br)cc1NCc1cccc(Cl)c1[O-] ZINC000124622074 1024285074 /nfs/dbraw/zinc/28/50/74/1024285074.db2.gz DMNFNIJRDFXQPH-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(F)c(F)c1[O-] ZINC000276998785 1024981624 /nfs/dbraw/zinc/98/16/24/1024981624.db2.gz YXYGVVYVXDZNKT-MRVPVSSYSA-N -1 1 347.283 4.262 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cnn(C2CCCC2)c1 ZINC000722364205 1025624852 /nfs/dbraw/zinc/62/48/52/1025624852.db2.gz CIMWSJKQVVMTSL-UHFFFAOYSA-N -1 1 336.233 4.078 20 10 EICDMM C[C@@H](NCc1cccc(Cl)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000278995117 1025904616 /nfs/dbraw/zinc/90/46/16/1025904616.db2.gz JTPNWKOYTBMDKC-SSDOTTSWSA-N -1 1 336.766 4.372 20 10 EICDMM CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000277472320 1026129737 /nfs/dbraw/zinc/12/97/37/1026129737.db2.gz RQTROSRALJJMSW-RKDXNWHRSA-N -1 1 343.258 4.181 20 10 EICDMM C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000367568500 1030209314 /nfs/dbraw/zinc/20/93/14/1030209314.db2.gz YOQWUOQSBZXQET-OLZOCXBDSA-N -1 1 343.377 4.268 20 10 EICDMM COc1ccc(Cl)c(NCc2cccc(Br)c2[O-])c1 ZINC000043317205 1036411374 /nfs/dbraw/zinc/41/13/74/1036411374.db2.gz YDMPGBNEOOBPBB-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM CCc1ccc([C@@H](COC)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000174481979 1038963919 /nfs/dbraw/zinc/96/39/19/1038963919.db2.gz PTPCJOXNENNTOC-CQSZACIVSA-N -1 1 344.238 4.332 20 10 EICDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c1 ZINC000740610196 1045203604 /nfs/dbraw/zinc/20/36/04/1045203604.db2.gz SIXDMYAEESKYRH-UHFFFAOYSA-N -1 1 344.480 4.032 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000917500711 1046916318 /nfs/dbraw/zinc/91/63/18/1046916318.db2.gz GHFLDMJKQVYJPF-QGZVFWFLSA-N -1 1 330.815 4.268 20 10 EICDMM CCNC(=O)c1cccc(N[C@@H](CC)c2cccc(Cl)c2[O-])c1 ZINC000806155578 1047179457 /nfs/dbraw/zinc/17/94/57/1047179457.db2.gz RZOFPPMWYBISKY-INIZCTEOSA-N -1 1 332.831 4.359 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(N2CCCCC2)nc1 ZINC000790244208 1047540690 /nfs/dbraw/zinc/54/06/90/1047540690.db2.gz YZFNTPXOTLKFCB-UHFFFAOYSA-N -1 1 335.810 4.182 20 10 EICDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000790416750 1047584062 /nfs/dbraw/zinc/58/40/62/1047584062.db2.gz CSYQPUZUCDLNTE-UHFFFAOYSA-N -1 1 346.235 4.062 20 10 EICDMM CO[C@H]1CCOc2c(NCc3c([O-])ccc(Cl)c3F)cccc21 ZINC000790487221 1047596480 /nfs/dbraw/zinc/59/64/80/1047596480.db2.gz WPCNEVIVVWFSPZ-HNNXBMFYSA-N -1 1 337.778 4.267 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1nc2c(s1)CCCC2 ZINC000809775582 1048504775 /nfs/dbraw/zinc/50/47/75/1048504775.db2.gz DXWIILINSOHBNI-UHFFFAOYSA-N -1 1 343.279 4.324 20 10 EICDMM Cn1ncc(NCc2cc(Cl)c(F)cc2[O-])c1-c1ccccc1 ZINC000816610309 1048843438 /nfs/dbraw/zinc/84/34/38/1048843438.db2.gz GMYAKLHGMCHVCG-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811510407 1049123974 /nfs/dbraw/zinc/12/39/74/1049123974.db2.gz FVGUENLLXDEWPU-DZGCQCFKSA-N -1 1 330.255 4.088 20 10 EICDMM Cc1ccccc1-c1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000811838633 1049288074 /nfs/dbraw/zinc/28/80/74/1049288074.db2.gz QGXYCKQOEXXVLN-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc(Oc2cnccn2)c1 ZINC001177354360 1050201980 /nfs/dbraw/zinc/20/19/80/1050201980.db2.gz QBIUGVACIYTUCO-UHFFFAOYSA-N -1 1 345.761 4.379 20 10 EICDMM CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC001180409609 1050991237 /nfs/dbraw/zinc/99/12/37/1050991237.db2.gz FDRBFURSZCFESN-UHFFFAOYSA-N -1 1 347.842 4.038 20 10 EICDMM Cc1ccc(F)c2oc(C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001180421053 1050998311 /nfs/dbraw/zinc/99/83/11/1050998311.db2.gz USTCLPXOCUAOOO-UHFFFAOYSA-N -1 1 333.746 4.169 20 10 EICDMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccc(O)c([O-])c1Cl ZINC001193236635 1051888488 /nfs/dbraw/zinc/88/84/88/1051888488.db2.gz KONKCDODRNKLBC-KRWDZBQOSA-N -1 1 345.826 4.413 20 10 EICDMM CCN(CC)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c(C)c1 ZINC001193229751 1051894140 /nfs/dbraw/zinc/89/41/40/1051894140.db2.gz MCWRGBMXJOQDBY-UHFFFAOYSA-N -1 1 348.830 4.158 20 10 EICDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c2ccccc12 ZINC001193862282 1052019495 /nfs/dbraw/zinc/01/94/95/1052019495.db2.gz DGQXZQCTZWUPIO-UHFFFAOYSA-N -1 1 341.432 4.271 20 10 EICDMM C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1cscn1 ZINC000850511443 1053271143 /nfs/dbraw/zinc/27/11/43/1053271143.db2.gz FBTRHYVCYFQBEV-YUMQZZPRSA-N -1 1 345.237 4.162 20 10 EICDMM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775715063 1053663198 /nfs/dbraw/zinc/66/31/98/1053663198.db2.gz BGEAEPGAOHNUKA-PXAZEXFGSA-N -1 1 335.806 4.147 20 10 EICDMM O=S(=O)(/C=C\c1ccccc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000776748692 1053828782 /nfs/dbraw/zinc/82/87/82/1053828782.db2.gz CGPZJQQUNUYHAC-FPLPWBNLSA-N -1 1 344.219 4.112 20 10 EICDMM Cc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765756127 1054068447 /nfs/dbraw/zinc/06/84/47/1054068447.db2.gz KVGPTLMABHJTAN-UHFFFAOYSA-N -1 1 348.240 4.010 20 10 EICDMM CCCCCC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770325 1054837066 /nfs/dbraw/zinc/83/70/66/1054837066.db2.gz OGBXIBMOHBEHMO-UHFFFAOYSA-N -1 1 342.277 4.377 20 10 EICDMM O=S(=O)(/C=C\c1cccc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000588482835 1025173142 /nfs/dbraw/zinc/17/31/42/1025173142.db2.gz WOCNSBPXYWUGIP-SREVYHEPSA-N -1 1 344.219 4.112 20 10 EICDMM CCN(CC)C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280781296 1026321580 /nfs/dbraw/zinc/32/15/80/1026321580.db2.gz PTEIIUVWTWHNMH-UHFFFAOYSA-N -1 1 332.831 4.140 20 10 EICDMM COc1cc(C)c(NCc2cccc(Br)c2[O-])cc1C ZINC000767738805 1045624971 /nfs/dbraw/zinc/62/49/71/1045624971.db2.gz NXUFSNYAVYTNSK-UHFFFAOYSA-N -1 1 336.229 4.392 20 10 EICDMM Cc1cc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC001170315630 1045996761 /nfs/dbraw/zinc/99/67/61/1045996761.db2.gz DHCGACGWOJWTHH-UHFFFAOYSA-N -1 1 326.179 4.008 20 10 EICDMM O=C(CNc1ccc(-c2cccs2)cc1)c1ccc([O-])c(O)c1 ZINC001170323492 1045998086 /nfs/dbraw/zinc/99/80/86/1045998086.db2.gz ZTYNLLGYKXXBDD-UHFFFAOYSA-N -1 1 325.389 4.121 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(-c2ccccc2)nn1 ZINC000787787996 1047054047 /nfs/dbraw/zinc/05/40/47/1047054047.db2.gz IYOJCVFZBHQVGH-UHFFFAOYSA-N -1 1 329.762 4.254 20 10 EICDMM CC[C@@H](Nc1cnn(-c2ccccn2)c1)c1cccc(Cl)c1[O-] ZINC000806156096 1047180721 /nfs/dbraw/zinc/18/07/21/1047180721.db2.gz XTTCDONVWPKYBJ-OAHLLOKOSA-N -1 1 328.803 4.190 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](O)c2cc(F)ccc21 ZINC000789573613 1047441450 /nfs/dbraw/zinc/44/14/50/1047441450.db2.gz MOCOSSPEHHNROB-INIZCTEOSA-N -1 1 339.769 4.158 20 10 EICDMM O=C(c1c([O-])c(O)ccc1F)N1Cc2ccccc2-c2ccccc2C1 ZINC000789974174 1047503195 /nfs/dbraw/zinc/50/31/95/1047503195.db2.gz OYOIBZGVVVQUSP-UHFFFAOYSA-N -1 1 349.361 4.060 20 10 EICDMM CCSCc1ccnc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790240499 1047540751 /nfs/dbraw/zinc/54/07/51/1047540751.db2.gz GTXXCPTTZGGPBN-UHFFFAOYSA-N -1 1 326.824 4.445 20 10 EICDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)cc(OC)c1C ZINC000814300313 1047966124 /nfs/dbraw/zinc/96/61/24/1047966124.db2.gz LTYLECWWGCONFE-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM Cc1cc(NCc2cc(Cl)cc(F)c2[O-])cnc1Br ZINC001180318130 1050949587 /nfs/dbraw/zinc/94/95/87/1050949587.db2.gz XAOKFJQKNFCDOT-UHFFFAOYSA-N -1 1 345.599 4.263 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN1CCSC[C@@H]1c1ccccc1 ZINC001180379349 1050977085 /nfs/dbraw/zinc/97/70/85/1050977085.db2.gz ZCGHBUFWAOYVNS-MRXNPFEDSA-N -1 1 337.847 4.475 20 10 EICDMM CCc1nc(C(C)C)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410100 1050992070 /nfs/dbraw/zinc/99/20/70/1050992070.db2.gz JTVXRMMKLPAYOK-UHFFFAOYSA-N -1 1 332.831 4.056 20 10 EICDMM CCc1nnc([C@H](C)N[C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524099 1051699981 /nfs/dbraw/zinc/69/99/81/1051699981.db2.gz CODAXTZHYVYNRR-KWQFWETISA-N -1 1 343.258 4.181 20 10 EICDMM O=C(Nc1ncccc1-c1ccccc1)c1ccc(O)c([O-])c1Cl ZINC001193208994 1051885135 /nfs/dbraw/zinc/88/51/35/1051885135.db2.gz DRBHGJYCCPEMGI-UHFFFAOYSA-N -1 1 340.766 4.066 20 10 EICDMM CCCc1nc2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2o1 ZINC001193232809 1051889235 /nfs/dbraw/zinc/88/92/35/1051889235.db2.gz QAGUUTKDISNUGP-UHFFFAOYSA-N -1 1 346.770 4.097 20 10 EICDMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1ccc(O)c([O-])c1Cl ZINC001193229731 1051894395 /nfs/dbraw/zinc/89/43/95/1051894395.db2.gz LBSMPLJXHOGGRJ-UHFFFAOYSA-N -1 1 337.162 4.138 20 10 EICDMM COc1nccc2c(NCc3cc(Cl)c(F)cc3[O-])cccc21 ZINC000864015470 1053141518 /nfs/dbraw/zinc/14/15/18/1053141518.db2.gz PTJBTFSRSFYHBW-UHFFFAOYSA-N -1 1 332.762 4.354 20 10 EICDMM C[C@H]([N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195331 1019328096 /nfs/dbraw/zinc/32/80/96/1019328096.db2.gz KBHBIQGYECNRIV-AWEZNQCLSA-N -1 1 341.451 4.195 20 10 EICDMM CO[C@@H]1CCOc2c(NCc3cc(Cl)cc(F)c3[O-])cccc21 ZINC000790945158 1045631677 /nfs/dbraw/zinc/63/16/77/1045631677.db2.gz HNMACNWVCOBXCA-OAHLLOKOSA-N -1 1 337.778 4.267 20 10 EICDMM Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1-c1ccccc1 ZINC001170320949 1045996234 /nfs/dbraw/zinc/99/62/34/1045996234.db2.gz QZLFVRYWBHTRLB-UHFFFAOYSA-N -1 1 333.387 4.368 20 10 EICDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c2ncccc12 ZINC000770000514 1046125096 /nfs/dbraw/zinc/12/50/96/1046125096.db2.gz FKMMMSXYQKNTKO-JTQLQIEISA-N -1 1 330.334 4.400 20 10 EICDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000917117884 1046730554 /nfs/dbraw/zinc/73/05/54/1046730554.db2.gz XPJURQJYDKYYKY-UHFFFAOYSA-N -1 1 346.430 4.076 20 10 EICDMM CCNC(=O)Nc1cccc(NCc2cccc(Cl)c2[O-])c1C ZINC000789764519 1047470139 /nfs/dbraw/zinc/47/01/39/1047470139.db2.gz HUWIAOJAZGSAIX-UHFFFAOYSA-N -1 1 333.819 4.108 20 10 EICDMM Cc1cc(CN(Cc2ccccc2)Cc2cc(F)c(F)cc2[O-])on1 ZINC001142527152 1047524020 /nfs/dbraw/zinc/52/40/20/1047524020.db2.gz MGNAQCWBPHLXRD-UHFFFAOYSA-N -1 1 344.361 4.169 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001142527277 1047526470 /nfs/dbraw/zinc/52/64/70/1047526470.db2.gz RBHSZPGKBMYOLQ-MRXNPFEDSA-N -1 1 325.305 4.286 20 10 EICDMM CCOC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816524425 1048829333 /nfs/dbraw/zinc/82/93/33/1048829333.db2.gz FDWNLGDORJDIEV-UHFFFAOYSA-N -1 1 338.766 4.365 20 10 EICDMM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1ccncc1 ZINC001190888698 1051298758 /nfs/dbraw/zinc/29/87/58/1051298758.db2.gz ZMPOLHGNAQASSB-FMQUCBEESA-N -1 1 338.392 4.298 20 10 EICDMM COc1ccnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1F ZINC000850538307 1053300533 /nfs/dbraw/zinc/30/05/33/1053300533.db2.gz YHVDWLXEZMGZEB-QMMMGPOBSA-N -1 1 345.201 4.093 20 10 EICDMM COc1cc(N[C@H](C)c2cc(F)cc(F)c2[O-])ccc1OC(F)F ZINC000850563017 1053317590 /nfs/dbraw/zinc/31/75/90/1053317590.db2.gz ZVRQPRRLDLZLSC-MRVPVSSYSA-N -1 1 345.292 4.454 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc(C(F)(F)F)cn1 ZINC000764935415 1053385511 /nfs/dbraw/zinc/38/55/11/1053385511.db2.gz TWCDWZWNCTUYMD-UHFFFAOYSA-N -1 1 347.134 4.181 20 10 EICDMM Cc1ccc(C)c(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765218977 1053468332 /nfs/dbraw/zinc/46/83/32/1053468332.db2.gz WPWDSKGODFNBFG-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM COc1ccc(Br)c(NCc2cccc(Cl)c2[O-])c1 ZINC000124637605 1054584596 /nfs/dbraw/zinc/58/45/96/1054584596.db2.gz REPCCOHWJYGGFR-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM Cc1ccc(-c2nc(CNCc3cccc(Cl)c3[O-])co2)cc1 ZINC000776221314 1054938319 /nfs/dbraw/zinc/93/83/19/1054938319.db2.gz UVVFZPLSVVIQIY-UHFFFAOYSA-N -1 1 328.799 4.299 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877843486 1055131519 /nfs/dbraw/zinc/13/15/19/1055131519.db2.gz NRZURDAZUVPBDQ-QGZVFWFLSA-N -1 1 348.805 4.407 20 10 EICDMM Cc1cc(C)cc(-c2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1 ZINC000741463244 1058219609 /nfs/dbraw/zinc/21/96/09/1058219609.db2.gz BRZNDMLDYRIGKH-MHWRWJLKSA-N -1 1 325.458 4.459 20 10 EICDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000743046898 1058850240 /nfs/dbraw/zinc/85/02/40/1058850240.db2.gz OQGOLUFDWAFQDN-UHFFFAOYSA-N -1 1 344.480 4.211 20 10 EICDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1ccc(F)cc1 ZINC000743415775 1058989506 /nfs/dbraw/zinc/98/95/06/1058989506.db2.gz LKSARMBVLMLNNU-UHFFFAOYSA-N -1 1 342.345 4.330 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000890758062 1020410794 /nfs/dbraw/zinc/41/07/94/1020410794.db2.gz QPFIWUZGRHZTJE-ONGXEEELSA-N -1 1 335.753 4.031 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](c1cccs1)C1CC1 ZINC000891693230 1023881708 /nfs/dbraw/zinc/88/17/08/1023881708.db2.gz XDDBEHIHNMDIFP-AWEZNQCLSA-N -1 1 336.844 4.058 20 10 EICDMM CC[C@H](C)c1nnc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000277472312 1026129541 /nfs/dbraw/zinc/12/95/41/1026129541.db2.gz RQTROSRALJJMSW-DTWKUNHWSA-N -1 1 343.258 4.181 20 10 EICDMM CC[C@H](C)c1nnc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000277472316 1026130464 /nfs/dbraw/zinc/13/04/64/1026130464.db2.gz RQTROSRALJJMSW-IUCAKERBSA-N -1 1 343.258 4.181 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccccc1N1CCCC1 ZINC000048795998 1026427120 /nfs/dbraw/zinc/42/71/20/1026427120.db2.gz WFNAHFWIRUYGBZ-UHFFFAOYSA-N -1 1 347.256 4.367 20 10 EICDMM CC1(C)C[C@H](O)c2cccc(NCc3cccc(Cl)c3[O-])c2O1 ZINC000897132361 1029448176 /nfs/dbraw/zinc/44/81/76/1029448176.db2.gz NECIUENQVHZBQZ-HNNXBMFYSA-N -1 1 333.815 4.252 20 10 EICDMM CCc1nnc(-c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)o1 ZINC000191439088 1030626137 /nfs/dbraw/zinc/62/61/37/1030626137.db2.gz LYICVMVAOCRHRW-UHFFFAOYSA-N -1 1 347.777 4.409 20 10 EICDMM CC(=O)Nc1c(C)ccc(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000790953841 1045634797 /nfs/dbraw/zinc/63/47/97/1045634797.db2.gz FOSJJRFYAUQJTG-UHFFFAOYSA-N -1 1 336.794 4.372 20 10 EICDMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266935 1045771599 /nfs/dbraw/zinc/77/15/99/1045771599.db2.gz XJQKIBANRTZLBG-CQSZACIVSA-N -1 1 341.169 4.034 20 10 EICDMM CCCN(Cc1ccccc1O)C(=O)c1ccc2ccccc2c1[O-] ZINC000769994191 1046125558 /nfs/dbraw/zinc/12/55/58/1046125558.db2.gz PWYKLCGCCBOYHS-UHFFFAOYSA-N -1 1 335.403 4.303 20 10 EICDMM CC[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1[O-] ZINC000806151628 1047175761 /nfs/dbraw/zinc/17/57/61/1047175761.db2.gz OFHMFFTYMRBWQI-SFHVURJKSA-N -1 1 346.858 4.445 20 10 EICDMM CC[C@H](Nc1cnn(-c2ccccn2)c1)c1cccc(Cl)c1[O-] ZINC000806156095 1047180072 /nfs/dbraw/zinc/18/00/72/1047180072.db2.gz XTTCDONVWPKYBJ-HNNXBMFYSA-N -1 1 328.803 4.190 20 10 EICDMM CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)[N-]C1=O ZINC000806569390 1047312553 /nfs/dbraw/zinc/31/25/53/1047312553.db2.gz SLUYPFXLRJGBBH-CZDIAPPSSA-N -1 1 329.368 4.141 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc(C2CCC2)cn1 ZINC000815160523 1048354136 /nfs/dbraw/zinc/35/41/36/1048354136.db2.gz CLQJSHDGZFUHGP-UHFFFAOYSA-N -1 1 333.229 4.429 20 10 EICDMM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000809769647 1048503449 /nfs/dbraw/zinc/50/34/49/1048503449.db2.gz QDBDZDPEJYDMSZ-LBPRGKRZSA-N -1 1 345.805 4.221 20 10 EICDMM CC[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)OC(C)(C)C ZINC000815589450 1048526181 /nfs/dbraw/zinc/52/61/81/1048526181.db2.gz SROPAFOXJROKGZ-ZWNOBZJWSA-N -1 1 347.377 4.182 20 10 EICDMM CC(=O)N(c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@@H]1C[C@H]1C ZINC000816663749 1048852249 /nfs/dbraw/zinc/85/22/49/1048852249.db2.gz HNTHAWDVNHSQON-KZULUSFZSA-N -1 1 344.842 4.419 20 10 EICDMM CN(Cc1ccccc1F)Cc1cc(Br)cc(F)c1[O-] ZINC001180161723 1050905895 /nfs/dbraw/zinc/90/58/95/1050905895.db2.gz NRWZXEGYCDJCPI-UHFFFAOYSA-N -1 1 342.183 4.065 20 10 EICDMM C[S@@](=O)Cc1cc(NCc2cccc(Cl)c2[O-])ccc1Cl ZINC001180820981 1051084236 /nfs/dbraw/zinc/08/42/36/1051084236.db2.gz VAQNEYNAYMPLSL-OAQYLSRUSA-N -1 1 344.263 4.190 20 10 EICDMM [O-]c1c(F)cc(F)cc1CN1CCOc2c1cccc2C(F)(F)F ZINC001182675812 1051664686 /nfs/dbraw/zinc/66/46/86/1051664686.db2.gz XUDJULWOVUOVNG-UHFFFAOYSA-N -1 1 345.267 4.088 20 10 EICDMM CCc1nnc([C@H](C)N[C@H](CC)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000775524094 1051699958 /nfs/dbraw/zinc/69/99/58/1051699958.db2.gz CODAXTZHYVYNRR-GZMMTYOYSA-N -1 1 343.258 4.181 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001203574215 1051879216 /nfs/dbraw/zinc/87/92/16/1051879216.db2.gz PZHQOLBNMUKCNJ-LBPRGKRZSA-N -1 1 346.151 4.423 20 10 EICDMM Cc1ccc2ccccc2c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209479 1051885761 /nfs/dbraw/zinc/88/57/61/1051885761.db2.gz LCLUZFFHTGEMKT-UHFFFAOYSA-N -1 1 327.767 4.465 20 10 EICDMM CCOC(=O)/C=C/c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863994639 1053116104 /nfs/dbraw/zinc/11/61/04/1053116104.db2.gz HNIWSAHHLGFDFM-BJMVGYQFSA-N -1 1 349.789 4.373 20 10 EICDMM C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512143 1053267925 /nfs/dbraw/zinc/26/79/25/1053267925.db2.gz WRGOFCCZPYOGFE-HTQZYQBOSA-N -1 1 345.237 4.162 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc2ccccc2n1 ZINC000764935592 1053385706 /nfs/dbraw/zinc/38/57/06/1053385706.db2.gz ZAJFZZLJMYESRY-UHFFFAOYSA-N -1 1 329.197 4.315 20 10 EICDMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000862535859 1055079352 /nfs/dbraw/zinc/07/93/52/1055079352.db2.gz ANZTXBYDIDDDHR-LLVKDONJSA-N -1 1 330.815 4.128 20 10 EICDMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000862537215 1055079762 /nfs/dbraw/zinc/07/97/62/1055079762.db2.gz UYTDMGLHXBKLMC-SNVBAGLBSA-N -1 1 348.805 4.267 20 10 EICDMM C[C@H](NCc1cscn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756507087 1023140057 /nfs/dbraw/zinc/14/00/57/1023140057.db2.gz AKAAYOCUIVWHGP-ZETCQYMHSA-N -1 1 347.665 4.115 20 10 EICDMM COc1c(C)ccc(NCc2cccc(Br)c2[O-])c1C ZINC000048796800 1026641558 /nfs/dbraw/zinc/64/15/58/1026641558.db2.gz GZWSBVDGUHJEFK-UHFFFAOYSA-N -1 1 336.229 4.392 20 10 EICDMM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000731496098 1043767873 /nfs/dbraw/zinc/76/78/73/1043767873.db2.gz APMHKHHGQVVIPM-OAHLLOKOSA-N -1 1 337.206 4.285 20 10 EICDMM CCc1c(NCc2c([O-])ccc(Cl)c2F)cnn1CC(C)C ZINC000790980099 1045665390 /nfs/dbraw/zinc/66/53/90/1045665390.db2.gz HPTKDDIGWPCVAO-UHFFFAOYSA-N -1 1 325.815 4.212 20 10 EICDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2c3ccccc3sc21 ZINC000768274279 1045777204 /nfs/dbraw/zinc/77/72/04/1045777204.db2.gz PWPMREDVGNWRNW-HNNXBMFYSA-N -1 1 348.786 4.254 20 10 EICDMM Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000792166585 1045869802 /nfs/dbraw/zinc/86/98/02/1045869802.db2.gz ULJVWRYFOMBZAY-CYBMUJFWSA-N -1 1 340.851 4.459 20 10 EICDMM O=C1[N-]C(=S)S/C1=C/c1ccc(SCc2ccccc2)cc1 ZINC000771836724 1046496612 /nfs/dbraw/zinc/49/66/12/1046496612.db2.gz COPNWGMEBFDKMV-XNTDXEJSSA-N -1 1 343.498 4.468 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1[O-] ZINC000917500708 1046916167 /nfs/dbraw/zinc/91/61/67/1046916167.db2.gz GHFLDMJKQVYJPF-KRWDZBQOSA-N -1 1 330.815 4.268 20 10 EICDMM CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000805833823 1047023501 /nfs/dbraw/zinc/02/35/01/1047023501.db2.gz AYDALWWQZIAKGQ-GOSISDBHSA-N -1 1 345.414 4.326 20 10 EICDMM CC[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cccc(Cl)c1[O-] ZINC000806164989 1047187807 /nfs/dbraw/zinc/18/78/07/1047187807.db2.gz FUNKDJXAOVJZNC-QGZVFWFLSA-N -1 1 342.826 4.461 20 10 EICDMM O=C1CCCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523222 1048830097 /nfs/dbraw/zinc/83/00/97/1048830097.db2.gz IGPXGOZJCLHIBM-UHFFFAOYSA-N -1 1 348.805 4.314 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-n2ccnc2)c(F)c1 ZINC000816526076 1048831561 /nfs/dbraw/zinc/83/15/61/1048831561.db2.gz SKSUBKULPLBADR-UHFFFAOYSA-N -1 1 335.741 4.122 20 10 EICDMM COCc1nc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc2o1 ZINC000816555853 1048834218 /nfs/dbraw/zinc/83/42/18/1048834218.db2.gz RPJQEEIFAHZREW-UHFFFAOYSA-N -1 1 336.750 4.084 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518025 1049104246 /nfs/dbraw/zinc/10/42/46/1049104246.db2.gz DKEIITWTMUDZTA-GDBMZVCRSA-N -1 1 342.266 4.233 20 10 EICDMM [O-]c1c(Cl)cccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525567 1049767387 /nfs/dbraw/zinc/76/73/87/1049767387.db2.gz IMKBIEGXHFZFIU-HZPDHXFCSA-N -1 1 338.234 4.007 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1csc(C2CC2)n1 ZINC000069876257 1050391621 /nfs/dbraw/zinc/39/16/21/1050391621.db2.gz WZULOMDNNYZBMS-UHFFFAOYSA-N -1 1 329.252 4.323 20 10 EICDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOC2(CCCCC2)C1 ZINC001237084806 1050683051 /nfs/dbraw/zinc/68/30/51/1050683051.db2.gz NQVVMACXRBRPDL-UHFFFAOYSA-N -1 1 330.255 4.234 20 10 EICDMM Cc1ccc(C)c(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC001180378940 1050974685 /nfs/dbraw/zinc/97/46/85/1050974685.db2.gz MUSZTWAEHZLAGW-UHFFFAOYSA-N -1 1 348.849 4.124 20 10 EICDMM C/C(=C\c1ccccc1Cl)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410505 1050992414 /nfs/dbraw/zinc/99/24/14/1050992414.db2.gz QSZWFAQLVQKYRY-PKNBQFBNSA-N -1 1 336.218 4.419 20 10 EICDMM CC[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001180409929 1050992467 /nfs/dbraw/zinc/99/24/67/1050992467.db2.gz JTQGZEBPKNNXSB-ZDUSSCGKSA-N -1 1 347.842 4.254 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001203574233 1051879042 /nfs/dbraw/zinc/87/90/42/1051879042.db2.gz QPTVXVKGNFEFAV-LLVKDONJSA-N -1 1 328.161 4.268 20 10 EICDMM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc(O)c([O-])c1Cl ZINC001193220434 1051886715 /nfs/dbraw/zinc/88/67/15/1051886715.db2.gz UYWXLQRGOPQVKC-UHFFFAOYSA-N -1 1 340.766 4.066 20 10 EICDMM O=C(Nc1c(Cl)ccc2ncccc21)c1ccc(O)c([O-])c1Cl ZINC001193230609 1051893864 /nfs/dbraw/zinc/89/38/64/1051893864.db2.gz XSARLOBOUCMZHW-UHFFFAOYSA-N -1 1 349.173 4.205 20 10 EICDMM O=C(Nc1ccc2cc(F)ccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193229760 1051894327 /nfs/dbraw/zinc/89/43/27/1051894327.db2.gz MMDOVKDFJBYKRJ-UHFFFAOYSA-N -1 1 331.730 4.296 20 10 EICDMM CC[C@@H](Nc1cccc(-n2nccn2)c1)c1cccc(Cl)c1[O-] ZINC000864024186 1053159621 /nfs/dbraw/zinc/15/96/21/1053159621.db2.gz WILAGZJLUYGNEE-MRXNPFEDSA-N -1 1 328.803 4.190 20 10 EICDMM COCCOCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000858550837 1054514022 /nfs/dbraw/zinc/51/40/22/1054514022.db2.gz WBLKHYGQUYXRGG-LBPRGKRZSA-N -1 1 337.366 4.007 20 10 EICDMM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000877844001 1055133388 /nfs/dbraw/zinc/13/33/88/1055133388.db2.gz RKAFTSHDERWBNU-KRWDZBQOSA-N -1 1 348.805 4.407 20 10 EICDMM Cc1nnc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000274189254 1022513225 /nfs/dbraw/zinc/51/32/25/1022513225.db2.gz JUGOWDCGFAJXKJ-RQJHMYQMSA-N -1 1 332.256 4.271 20 10 EICDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])c(Br)c1 ZINC000708409416 1029412811 /nfs/dbraw/zinc/41/28/11/1029412811.db2.gz PSCFLLKOAPNIBO-UHFFFAOYSA-N -1 1 328.156 4.353 20 10 EICDMM CC1(C)C[C@@H](O)c2cccc(NCc3cccc(Cl)c3[O-])c2O1 ZINC000897132362 1029448646 /nfs/dbraw/zinc/44/86/46/1029448646.db2.gz NECIUENQVHZBQZ-OAHLLOKOSA-N -1 1 333.815 4.252 20 10 EICDMM CCN1C(=O)CCc2cc(N[C@H](C)c3cc(F)cc(F)c3[O-])ccc21 ZINC000760887088 1037557702 /nfs/dbraw/zinc/55/77/02/1037557702.db2.gz LNHLLDKNNYODKN-LLVKDONJSA-N -1 1 346.377 4.143 20 10 EICDMM CCc1nnc([C@H](C)N[C@H](CC)c2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000287893491 1041532953 /nfs/dbraw/zinc/53/29/53/1041532953.db2.gz ZDWCYLBTACLCAD-QPUJVOFHSA-N -1 1 343.258 4.181 20 10 EICDMM Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000790946480 1045630841 /nfs/dbraw/zinc/63/08/41/1045630841.db2.gz BXEPNJAACUHOHL-UHFFFAOYSA-N -1 1 349.711 4.373 20 10 EICDMM O=C1CCCCN1c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790952491 1045634756 /nfs/dbraw/zinc/63/47/56/1045634756.db2.gz IHTUFNXEZPNHPI-UHFFFAOYSA-N -1 1 348.805 4.314 20 10 EICDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)nn1-c1ccccc1 ZINC000790981363 1045666429 /nfs/dbraw/zinc/66/64/29/1045666429.db2.gz JQIRDPKOPQFSQX-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM O=C(CNc1ccc(-c2ccccc2F)cc1)c1ccc([O-])c(O)c1 ZINC001170320467 1045997330 /nfs/dbraw/zinc/99/73/30/1045997330.db2.gz BWTDAAQPJBCPOZ-UHFFFAOYSA-N -1 1 337.350 4.199 20 10 EICDMM COc1cc(C)cc(NCc2cccc(Br)c2[O-])c1C ZINC000785542901 1046704794 /nfs/dbraw/zinc/70/47/94/1046704794.db2.gz CKMLUPBGWSPRCD-UHFFFAOYSA-N -1 1 336.229 4.392 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ncc(Cl)cc1Cl ZINC000804654168 1046721794 /nfs/dbraw/zinc/72/17/94/1046721794.db2.gz KBQSPOBXPANBIL-UHFFFAOYSA-N -1 1 348.027 4.469 20 10 EICDMM CC[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1[O-] ZINC000806151627 1047175262 /nfs/dbraw/zinc/17/52/62/1047175262.db2.gz OFHMFFTYMRBWQI-GOSISDBHSA-N -1 1 346.858 4.445 20 10 EICDMM CC[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cccc(Cl)c1[O-] ZINC000806163165 1047186175 /nfs/dbraw/zinc/18/61/75/1047186175.db2.gz MOFMKVIOEFQCBF-INIZCTEOSA-N -1 1 342.826 4.461 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](O)c2cc(F)ccc21 ZINC000789573614 1047441223 /nfs/dbraw/zinc/44/12/23/1047441223.db2.gz MOCOSSPEHHNROB-MRXNPFEDSA-N -1 1 339.769 4.158 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNCc1cc(-c2ccccc2)on1 ZINC000814172132 1047873845 /nfs/dbraw/zinc/87/38/45/1047873845.db2.gz ZRFJMTONAYJSFG-UHFFFAOYSA-N -1 1 332.762 4.130 20 10 EICDMM Cc1cc(=O)oc2cc(N(C)Cc3cccc(Cl)c3[O-])ccc12 ZINC000809724058 1048500171 /nfs/dbraw/zinc/50/01/71/1048500171.db2.gz DNBQFHXPKWADKA-UHFFFAOYSA-N -1 1 329.783 4.097 20 10 EICDMM [O-]c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1Cl ZINC000809775828 1048507220 /nfs/dbraw/zinc/50/72/20/1048507220.db2.gz KKPZOKYBHWBDBS-UHFFFAOYSA-N -1 1 332.614 4.348 20 10 EICDMM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815626585 1048547521 /nfs/dbraw/zinc/54/75/21/1048547521.db2.gz HROKASYIGDDGCK-JMCQJSRRSA-N -1 1 327.268 4.403 20 10 EICDMM CC[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cccc(Cl)c1[O-] ZINC000815632604 1048554554 /nfs/dbraw/zinc/55/45/54/1048554554.db2.gz SDYHPCBOQQHGOS-ZDUSSCGKSA-N -1 1 337.782 4.239 20 10 EICDMM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816522340 1048827832 /nfs/dbraw/zinc/82/78/32/1048827832.db2.gz UVSGNLJFAGTSRR-UHFFFAOYSA-N -1 1 348.805 4.454 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(Cc2ccccc2)c1 ZINC000816562861 1048835466 /nfs/dbraw/zinc/83/54/66/1048835466.db2.gz BTEAZIRNBDYARR-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM Cc1cc(CC(=O)Nc2cccc(F)c2[O-])c(C)n1-c1ccccc1 ZINC001171637182 1049778929 /nfs/dbraw/zinc/77/89/29/1049778929.db2.gz LQBZRKPDRHEAEQ-UHFFFAOYSA-N -1 1 338.382 4.120 20 10 EICDMM [O-]c1c(F)cc(F)cc1CNc1ccc(Oc2cccnc2)cc1 ZINC001178860278 1050579248 /nfs/dbraw/zinc/57/92/48/1050579248.db2.gz YEXRJLVOGABINO-UHFFFAOYSA-N -1 1 328.318 4.470 20 10 EICDMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410881 1050996729 /nfs/dbraw/zinc/99/67/29/1050996729.db2.gz UIXIUSVKLQIZOF-JKSUJKDBSA-N -1 1 329.827 4.028 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CN1CCN(CC2CC2)c2ccccc21 ZINC001180760004 1051072682 /nfs/dbraw/zinc/07/26/82/1051072682.db2.gz VQHWDLZDJAULPS-UHFFFAOYSA-N -1 1 346.833 4.421 20 10 EICDMM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193246816 1051890412 /nfs/dbraw/zinc/89/04/12/1051890412.db2.gz CLAGNFCTSCYXQQ-LLVKDONJSA-N -1 1 333.815 4.366 20 10 EICDMM O=C(Nc1ccccc1-c1ccncc1)c1ccc(O)c([O-])c1Cl ZINC001193229222 1051893563 /nfs/dbraw/zinc/89/35/63/1051893563.db2.gz FSXINCKLWFJAKK-UHFFFAOYSA-N -1 1 340.766 4.066 20 10 EICDMM Nc1ccc(N(c2ccc(N)cc2)c2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670322 1052158077 /nfs/dbraw/zinc/15/80/77/1052158077.db2.gz DHVLYDHAWLYAIB-UHFFFAOYSA-N -1 1 345.324 4.444 20 10 EICDMM CCOC(=O)/C=C\c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863994640 1053117668 /nfs/dbraw/zinc/11/76/68/1053117668.db2.gz HNIWSAHHLGFDFM-YHYXMXQVSA-N -1 1 349.789 4.373 20 10 EICDMM Cc1cccc2ncnc(NCc3cccc(Br)c3[O-])c12 ZINC000764935387 1053385590 /nfs/dbraw/zinc/38/55/90/1053385590.db2.gz SUXFRRNOMJGANW-UHFFFAOYSA-N -1 1 344.212 4.018 20 10 EICDMM CC(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765747467 1053923651 /nfs/dbraw/zinc/92/36/51/1053923651.db2.gz NZYRQEDDDUXTKQ-UHFFFAOYSA-N -1 1 348.240 4.208 20 10 EICDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])CC(C)(C)C ZINC000765757669 1054198003 /nfs/dbraw/zinc/19/80/03/1054198003.db2.gz SMMWEXWECSYWSA-NSHDSACASA-N -1 1 342.277 4.233 20 10 EICDMM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877842263 1055131461 /nfs/dbraw/zinc/13/14/61/1055131461.db2.gz GADFXCLCULETCT-MRXNPFEDSA-N -1 1 334.778 4.161 20 10 EICDMM CCC(=O)N1CCc2ccc(N[C@H](C)c3cc(F)cc(F)c3[O-])cc21 ZINC000903279331 1055568999 /nfs/dbraw/zinc/56/89/99/1055568999.db2.gz MPJMIMHUMSECEL-LLVKDONJSA-N -1 1 346.377 4.143 20 10 EICDMM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000375844174 1031346247 /nfs/dbraw/zinc/34/62/47/1031346247.db2.gz CDDRXCOBEDFTAA-OAHLLOKOSA-N -1 1 340.254 4.078 20 10 EICDMM Cc1nc(Cl)ccc1NCc1cccc(Br)c1[O-] ZINC000227937027 1036010102 /nfs/dbraw/zinc/01/01/02/1036010102.db2.gz FKDZIYSGJHDOTE-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM Cc1nn(-c2ccccc2)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790991370 1045647459 /nfs/dbraw/zinc/64/74/59/1045647459.db2.gz VWSLAFJVPQWNRG-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM O=C(CNc1ccc2c(c1)[nH]c1ccccc12)c1ccc([O-])c(O)c1 ZINC001170315173 1045996526 /nfs/dbraw/zinc/99/65/26/1045996526.db2.gz RONDEPAQPHHEAF-UHFFFAOYSA-N -1 1 332.359 4.027 20 10 EICDMM COCCN(Cc1ccc(C)o1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769501676 1046001370 /nfs/dbraw/zinc/00/13/70/1046001370.db2.gz MVZWHUHROYNZRL-UHFFFAOYSA-N -1 1 344.238 4.249 20 10 EICDMM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230032 1046177541 /nfs/dbraw/zinc/17/75/41/1046177541.db2.gz CLYPFUVTQPSTSX-XVKPBYJWSA-N -1 1 328.161 4.472 20 10 EICDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793230031 1046178030 /nfs/dbraw/zinc/17/80/30/1046178030.db2.gz CLYPFUVTQPSTSX-XCBNKYQSSA-N -1 1 328.161 4.472 20 10 EICDMM COc1cc(NCc2cccc(Br)c2[O-])c(C)cc1C ZINC000793391300 1046234086 /nfs/dbraw/zinc/23/40/86/1046234086.db2.gz WEAPEOINHHCIRF-UHFFFAOYSA-N -1 1 336.229 4.392 20 10 EICDMM Cc1ccnc(NCc2cccc(Br)c2[O-])c1Cl ZINC000804654512 1046722897 /nfs/dbraw/zinc/72/28/97/1046722897.db2.gz RJHBHKIROVTVCP-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM CC(C)n1ncc2cc(NCc3c([O-])ccc(Cl)c3F)cnc21 ZINC000790246240 1047542801 /nfs/dbraw/zinc/54/28/01/1047542801.db2.gz UMRBQKFGRKIWOO-UHFFFAOYSA-N -1 1 334.782 4.122 20 10 EICDMM CCc1nnc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000810260587 1048710525 /nfs/dbraw/zinc/71/05/25/1048710525.db2.gz MMGNQFHDUGDGNO-JTQLQIEISA-N -1 1 346.283 4.354 20 10 EICDMM CCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816524627 1048829958 /nfs/dbraw/zinc/82/99/58/1048829958.db2.gz MLAQTAQKVVBYAY-UHFFFAOYSA-N -1 1 325.767 4.204 20 10 EICDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])cc(OC)c1C ZINC000816620236 1048845281 /nfs/dbraw/zinc/84/52/81/1048845281.db2.gz NEZHIULKJATQSU-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510410 1049123672 /nfs/dbraw/zinc/12/36/72/1049123672.db2.gz FVGUENLLXDEWPU-ZFWWWQNUSA-N -1 1 330.255 4.088 20 10 EICDMM Cc1ncn(-c2ccc(NCc3cccc(Cl)c3[O-])cc2)c1C ZINC000812785567 1049576695 /nfs/dbraw/zinc/57/66/95/1049576695.db2.gz WUWQOULEDWPUBM-UHFFFAOYSA-N -1 1 327.815 4.460 20 10 EICDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc([O-])cc1F ZINC000181230854 1050058142 /nfs/dbraw/zinc/05/81/42/1050058142.db2.gz GAZFCFIBKDIZET-UHFFFAOYSA-N -1 1 328.387 4.164 20 10 EICDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(C)cc1O ZINC001189388901 1050977380 /nfs/dbraw/zinc/97/73/80/1050977380.db2.gz JEWSTBJVVIRFGR-UHFFFAOYSA-N -1 1 345.395 4.102 20 10 EICDMM Cc1ccc(SCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180399174 1050981050 /nfs/dbraw/zinc/98/10/50/1050981050.db2.gz AWZSPBTXHITVFY-UHFFFAOYSA-N -1 1 335.856 4.153 20 10 EICDMM COc1cc(C)c(NCc2cccc(Br)c2[O-])cc1F ZINC000775327015 1051070040 /nfs/dbraw/zinc/07/00/40/1051070040.db2.gz UOUWGTCXJZYYSJ-UHFFFAOYSA-N -1 1 340.192 4.223 20 10 EICDMM COc1cc(Cl)ccc1NCc1cccc(Br)c1[O-] ZINC000775347847 1051117232 /nfs/dbraw/zinc/11/72/32/1051117232.db2.gz GYXXEMAIANHTHJ-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193230240 1051893453 /nfs/dbraw/zinc/89/34/53/1051893453.db2.gz RUKUIOOJGLGYNQ-UHFFFAOYSA-N -1 1 340.766 4.066 20 10 EICDMM O=C(Nc1ccc(F)c2ccccc12)c1ccc(O)c([O-])c1Cl ZINC001193229761 1051893891 /nfs/dbraw/zinc/89/38/91/1051893891.db2.gz MNJZQKJEELPRQF-UHFFFAOYSA-N -1 1 331.730 4.296 20 10 EICDMM CCc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765219519 1053469089 /nfs/dbraw/zinc/46/90/89/1053469089.db2.gz ZQLMPIJEVFJIOI-UHFFFAOYSA-N -1 1 349.228 4.039 20 10 EICDMM O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000776749088 1053828588 /nfs/dbraw/zinc/82/85/88/1053828588.db2.gz WTTLTTBIPCCVHW-FPLPWBNLSA-N -1 1 344.219 4.112 20 10 EICDMM O=C(CCCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765764449 1054406141 /nfs/dbraw/zinc/40/61/41/1054406141.db2.gz KEOSOGBIFSMTES-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNCc1c(F)c(F)cc(F)c1F ZINC001200931778 1054580505 /nfs/dbraw/zinc/58/05/05/1054580505.db2.gz DBDYNXCRBAFPNA-UHFFFAOYSA-N -1 1 337.675 4.031 20 10 EICDMM CCN(Cc1ccccc1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000007154754 1019283130 /nfs/dbraw/zinc/28/31/30/1019283130.db2.gz XMHXYXFWEDHFLY-ATVHPVEESA-N -1 1 338.432 4.037 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000890758059 1020411474 /nfs/dbraw/zinc/41/14/74/1020411474.db2.gz QPFIWUZGRHZTJE-KOLCDFICSA-N -1 1 335.753 4.031 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000890762814 1020440659 /nfs/dbraw/zinc/44/06/59/1020440659.db2.gz JRILDTSERPVVAV-MNOVXSKESA-N -1 1 335.753 4.031 20 10 EICDMM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000375844173 1031346958 /nfs/dbraw/zinc/34/69/58/1031346958.db2.gz CDDRXCOBEDFTAA-HNNXBMFYSA-N -1 1 340.254 4.078 20 10 EICDMM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273458061 1037470715 /nfs/dbraw/zinc/47/07/15/1037470715.db2.gz HNFJFCUAKYRYHI-DTWKUNHWSA-N -1 1 343.258 4.352 20 10 EICDMM COc1cc(NCc2cccc(Cl)c2[O-])c(OC)cc1Cl ZINC000158062913 1038324464 /nfs/dbraw/zinc/32/44/64/1038324464.db2.gz XLDQQRQQOODAGU-UHFFFAOYSA-N -1 1 328.195 4.328 20 10 EICDMM O=C1CCC[C@H](c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)N1 ZINC000895891835 1044965897 /nfs/dbraw/zinc/96/58/97/1044965897.db2.gz DZPNVGBHFWYBIO-MRXNPFEDSA-N -1 1 348.805 4.138 20 10 EICDMM CC(C)C(=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790951885 1045633439 /nfs/dbraw/zinc/63/34/39/1045633439.db2.gz RYHSMBNPXZTJMP-UHFFFAOYSA-N -1 1 336.794 4.391 20 10 EICDMM CCOc1ccc(OC)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790977159 1045663041 /nfs/dbraw/zinc/66/30/41/1045663041.db2.gz DMXBRGVZOVFFPT-UHFFFAOYSA-N -1 1 325.767 4.204 20 10 EICDMM Cc1ccn(-c2ccccc2NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790981240 1045666867 /nfs/dbraw/zinc/66/68/67/1045666867.db2.gz UWMBUWZVNIPZEQ-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(Cl)c1[O-] ZINC000917499279 1046912923 /nfs/dbraw/zinc/91/29/23/1046912923.db2.gz AUZMHCCSTJDCEI-HNNXBMFYSA-N -1 1 337.206 4.285 20 10 EICDMM CC[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(Cl)c1[O-] ZINC000806156621 1047180316 /nfs/dbraw/zinc/18/03/16/1047180316.db2.gz GQFYQGBTECBCOC-HNNXBMFYSA-N -1 1 332.831 4.437 20 10 EICDMM CC[C@@H](Nc1ccc(NC(=O)COC)cc1)c1cccc(Cl)c1[O-] ZINC000806156065 1047180357 /nfs/dbraw/zinc/18/03/57/1047180357.db2.gz XCPLKTYTFXEXDC-MRXNPFEDSA-N -1 1 348.830 4.194 20 10 EICDMM CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)[N-]C1=O ZINC000806569389 1047312434 /nfs/dbraw/zinc/31/24/34/1047312434.db2.gz SLUYPFXLRJGBBH-CWQCMXISSA-N -1 1 329.368 4.141 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-c2csnn2)cc1 ZINC000816525096 1048829705 /nfs/dbraw/zinc/82/97/05/1048829705.db2.gz DZJSBOBJJYYLQI-UHFFFAOYSA-N -1 1 335.791 4.315 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(Cn2cccn2)cc1 ZINC000816525212 1048829754 /nfs/dbraw/zinc/82/97/54/1048829754.db2.gz KDXFOLFSYWRNOV-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM O=C1CCCc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc2N1 ZINC000816563647 1048835814 /nfs/dbraw/zinc/83/58/14/1048835814.db2.gz FRXXNLZXJYHNCD-UHFFFAOYSA-N -1 1 334.778 4.072 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518028 1049103664 /nfs/dbraw/zinc/10/36/64/1049103664.db2.gz DKEIITWTMUDZTA-ZBFHGGJFSA-N -1 1 342.266 4.233 20 10 EICDMM C[C@@H]1SCCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001179938942 1050823320 /nfs/dbraw/zinc/82/33/20/1050823320.db2.gz ZVGHYZKCEIHGTG-SJCJKPOMSA-N -1 1 335.419 4.349 20 10 EICDMM CC/C(=C\C(=O)NCc1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC001180410162 1050993453 /nfs/dbraw/zinc/99/34/53/1050993453.db2.gz KVHDNFMLDWARIQ-SDNWHVSQSA-N -1 1 329.827 4.464 20 10 EICDMM C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cccc(Cl)c1F ZINC001193236411 1051889063 /nfs/dbraw/zinc/88/90/63/1051889063.db2.gz BMZRTOHAXVFVAO-SSDOTTSWSA-N -1 1 344.169 4.035 20 10 EICDMM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247047 1051890030 /nfs/dbraw/zinc/89/00/30/1051890030.db2.gz IYBLQQOABMFWSM-UHFFFAOYSA-N -1 1 347.842 4.058 20 10 EICDMM CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193247173 1051890780 /nfs/dbraw/zinc/89/07/80/1051890780.db2.gz NPUBBJPPYATXMP-LBPRGKRZSA-N -1 1 347.842 4.441 20 10 EICDMM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193254321 1051891909 /nfs/dbraw/zinc/89/19/09/1051891909.db2.gz GXMCJZSDMQUEGY-PHIMTYICSA-N -1 1 325.836 4.086 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ncccc1C(F)(F)F ZINC000764935458 1053385293 /nfs/dbraw/zinc/38/52/93/1053385293.db2.gz UMWALZMPCZQKHF-UHFFFAOYSA-N -1 1 347.134 4.181 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc2ccc(F)cc2n1 ZINC000764934831 1053386256 /nfs/dbraw/zinc/38/62/56/1053386256.db2.gz NLLGRTSGDUDUHQ-UHFFFAOYSA-N -1 1 347.187 4.454 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000775750869 1053816286 /nfs/dbraw/zinc/81/62/86/1053816286.db2.gz VCVZXEBPILVFJV-QZTJIDSGSA-N -1 1 347.842 4.340 20 10 EICDMM CC(C)COC[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776151397 1054741598 /nfs/dbraw/zinc/74/15/98/1054741598.db2.gz LTJHPINQMSYUFH-HNNXBMFYSA-N -1 1 341.810 4.281 20 10 EICDMM Cc1csc(C2(NCc3cc(Cl)cc(F)c3[O-])CCC2)n1 ZINC000776157502 1054764661 /nfs/dbraw/zinc/76/46/61/1054764661.db2.gz CANSSRLJLVXJDP-UHFFFAOYSA-N -1 1 326.824 4.119 20 10 EICDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Oc2cccc(F)c2)cc1 ZINC000766286911 1058787634 /nfs/dbraw/zinc/78/76/34/1058787634.db2.gz FMIIIXIVJLXEBY-ZSOIEALJSA-N -1 1 331.393 4.107 20 10 EICDMM CC[C@@H](C)n1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C1CC1 ZINC000890759443 1020418944 /nfs/dbraw/zinc/41/89/44/1020418944.db2.gz BTMUMRCWWRAXGV-LLVKDONJSA-N -1 1 347.846 4.021 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000890763031 1020440873 /nfs/dbraw/zinc/44/08/73/1020440873.db2.gz NEFOEUWYXZZTHZ-UHFFFAOYSA-N -1 1 330.815 4.059 20 10 EICDMM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1[O-] ZINC000187795361 1030373320 /nfs/dbraw/zinc/37/33/20/1030373320.db2.gz VDMHJLBMQJBAHZ-SNVBAGLBSA-N -1 1 347.390 4.040 20 10 EICDMM Cc1cc(NCc2cccc(Cl)c2[O-])cnc1Br ZINC000228836687 1036642831 /nfs/dbraw/zinc/64/28/31/1036642831.db2.gz NWPCZPNISBIENW-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM Cc1ccn(-c2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)n1 ZINC000790653320 1045555439 /nfs/dbraw/zinc/55/54/39/1045555439.db2.gz PWCBTZVMBGTXCQ-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000790947254 1045631209 /nfs/dbraw/zinc/63/12/09/1045631209.db2.gz NGPOPNWJQABEJK-UHFFFAOYSA-N -1 1 333.712 4.493 20 10 EICDMM Cn1cc(NCc2c([O-])ccc(Cl)c2F)c(-c2ccccc2)n1 ZINC000790985857 1045643136 /nfs/dbraw/zinc/64/31/36/1045643136.db2.gz GUPIFVMHHIBMRK-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1OCC(F)F ZINC000790976862 1045663143 /nfs/dbraw/zinc/66/31/43/1045663143.db2.gz NLWDRHPBBPZCST-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cnn1-c1ccccc1 ZINC000790980940 1045666706 /nfs/dbraw/zinc/66/67/06/1045666706.db2.gz HMTGVNJEVIWTDM-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM CC(=O)Nc1cccc2c1CCCN2Cc1c([O-])ccc(Cl)c1F ZINC000792173723 1045872756 /nfs/dbraw/zinc/87/27/56/1045872756.db2.gz IZFHHMZVPZZDKA-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM C[C@H](c1ccco1)N(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000769101186 1045878912 /nfs/dbraw/zinc/87/89/12/1045878912.db2.gz BCSMBFROXGQLPC-SNVBAGLBSA-N -1 1 336.775 4.272 20 10 EICDMM COc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1-c1ccccc1 ZINC001170323012 1046000498 /nfs/dbraw/zinc/00/04/98/1046000498.db2.gz SWNPWHCEUAGBMX-UHFFFAOYSA-N -1 1 349.386 4.068 20 10 EICDMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1O ZINC000771219620 1046355394 /nfs/dbraw/zinc/35/53/94/1046355394.db2.gz KSIHDVDFCMFRJE-UHFFFAOYSA-N -1 1 339.416 4.168 20 10 EICDMM CC[C@H](NCc1nnc(C)s1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157278 1047182028 /nfs/dbraw/zinc/18/20/28/1047182028.db2.gz DAUPVFZMHPHESK-NSHDSACASA-N -1 1 332.256 4.100 20 10 EICDMM COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2O)cc1OC ZINC001142520074 1047495685 /nfs/dbraw/zinc/49/56/85/1047495685.db2.gz BGBMLFADBZXKPZ-MRXNPFEDSA-N -1 1 349.377 4.025 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000815155285 1048354097 /nfs/dbraw/zinc/35/40/97/1048354097.db2.gz ZIDMUFKRCKODLU-AWEZNQCLSA-N -1 1 348.240 4.271 20 10 EICDMM O=C(Nc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)C1CC1 ZINC000816479800 1048810716 /nfs/dbraw/zinc/81/07/16/1048810716.db2.gz VBSPHGDEETVIIC-UHFFFAOYSA-N -1 1 334.778 4.145 20 10 EICDMM COc1ccc(OC(F)F)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525118 1048829435 /nfs/dbraw/zinc/82/94/35/1048829435.db2.gz FQAZUBLKTUPVCZ-UHFFFAOYSA-N -1 1 347.720 4.407 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(SCCCO)cc1 ZINC000816526938 1048830586 /nfs/dbraw/zinc/83/05/86/1048830586.db2.gz TVQZQPOPLCPGOR-UHFFFAOYSA-N -1 1 341.835 4.271 20 10 EICDMM CN(C)c1nc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc2o1 ZINC000816563517 1048835449 /nfs/dbraw/zinc/83/54/49/1048835449.db2.gz ALUPREZHTATYAL-UHFFFAOYSA-N -1 1 335.766 4.004 20 10 EICDMM Cn1cc(NCc2cc(Cl)c(F)cc2[O-])c(-c2ccccc2)n1 ZINC000816566957 1048836623 /nfs/dbraw/zinc/83/66/23/1048836623.db2.gz MGDRMMZOOPUZSI-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000817406556 1048965022 /nfs/dbraw/zinc/96/50/22/1048965022.db2.gz NJRSMBXCFJKRAT-UHFFFAOYSA-N -1 1 348.805 4.454 20 10 EICDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811510409 1049123950 /nfs/dbraw/zinc/12/39/50/1049123950.db2.gz FVGUENLLXDEWPU-UKRRQHHQSA-N -1 1 330.255 4.088 20 10 EICDMM Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077233 1050874386 /nfs/dbraw/zinc/87/43/86/1050874386.db2.gz OCNPRRCWLXYCCY-PXAZEXFGSA-N -1 1 337.872 4.378 20 10 EICDMM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189389510 1050977631 /nfs/dbraw/zinc/97/76/31/1050977631.db2.gz RBPYNEDNKMFULK-UHFFFAOYSA-N -1 1 345.395 4.102 20 10 EICDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191753737 1051538675 /nfs/dbraw/zinc/53/86/75/1051538675.db2.gz BRCHWEAGQOREJE-UHFFFAOYSA-N -1 1 346.235 4.117 20 10 EICDMM O=C(Nc1ccccc1-c1nccs1)c1ccc(O)c([O-])c1Cl ZINC001193229237 1051894209 /nfs/dbraw/zinc/89/42/09/1051894209.db2.gz GMULKYBDTSCIGM-UHFFFAOYSA-N -1 1 346.795 4.127 20 10 EICDMM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1cscn1 ZINC000850511440 1053270392 /nfs/dbraw/zinc/27/03/92/1053270392.db2.gz FBTRHYVCYFQBEV-HTQZYQBOSA-N -1 1 345.237 4.162 20 10 EICDMM C[C@H]1CC(=O)N(C)c2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000858312647 1054460934 /nfs/dbraw/zinc/46/09/34/1054460934.db2.gz ZKZBEBMJHBMAIT-JTQLQIEISA-N -1 1 348.805 4.267 20 10 EICDMM COc1cc(NCc2cccc(Cl)c2[O-])ccc1Br ZINC000124624148 1054584983 /nfs/dbraw/zinc/58/49/83/1054584983.db2.gz NKMPPRHECKAEOU-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM CC(C)COC[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776151398 1054741086 /nfs/dbraw/zinc/74/10/86/1054741086.db2.gz LTJHPINQMSYUFH-OAHLLOKOSA-N -1 1 341.810 4.281 20 10 EICDMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877842261 1055131893 /nfs/dbraw/zinc/13/18/93/1055131893.db2.gz GADFXCLCULETCT-INIZCTEOSA-N -1 1 334.778 4.161 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C)ccc2F)c1[O-] ZINC001169820264 1060987325 /nfs/dbraw/zinc/98/73/25/1060987325.db2.gz ALGGEVJXRMTKAI-UHFFFAOYSA-N -1 1 335.806 4.328 20 10 EICDMM [O-]c1c(F)cc(Br)cc1CNc1ccc2c(c1)CCC2 ZINC000715738377 1043216260 /nfs/dbraw/zinc/21/62/60/1043216260.db2.gz SERGJCKVQGLDJY-UHFFFAOYSA-N -1 1 336.204 4.395 20 10 EICDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)n(Cc2ccccc2)n1 ZINC000790955586 1045634711 /nfs/dbraw/zinc/63/47/11/1045634711.db2.gz URMMLDOIFKYVIU-UHFFFAOYSA-N -1 1 345.805 4.350 20 10 EICDMM Cc1ccnn1-c1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000790986362 1045642681 /nfs/dbraw/zinc/64/26/81/1045642681.db2.gz OCNDBVRIBRMNSH-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(-n2ccnc2)c(F)c1 ZINC000790976071 1045661959 /nfs/dbraw/zinc/66/19/59/1045661959.db2.gz BAYGBIARMYRRAY-UHFFFAOYSA-N -1 1 335.741 4.122 20 10 EICDMM CC[C@H](Nc1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000806153928 1047177455 /nfs/dbraw/zinc/17/74/55/1047177455.db2.gz BEXGPKDMUFFIKO-KRWDZBQOSA-N -1 1 342.830 4.249 20 10 EICDMM Cn1ncc(NCc2cc(Cl)cc(F)c2[O-])c1-c1ccccc1 ZINC000809726754 1048478449 /nfs/dbraw/zinc/47/84/49/1048478449.db2.gz VQFDFUONGYYVJH-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809768380 1048503677 /nfs/dbraw/zinc/50/36/77/1048503677.db2.gz JDHZLBMBSSANBD-AWEZNQCLSA-N -1 1 340.254 4.376 20 10 EICDMM CC(=O)N(c1ccc(NCc2cccc(Cl)c2[O-])cc1)C1CC1 ZINC000816661192 1048850706 /nfs/dbraw/zinc/85/07/06/1048850706.db2.gz FOSCWKQZTPSWRY-UHFFFAOYSA-N -1 1 330.815 4.173 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518027 1049100090 /nfs/dbraw/zinc/10/00/90/1049100090.db2.gz DKEIITWTMUDZTA-HOCLYGCPSA-N -1 1 342.266 4.233 20 10 EICDMM [O-]c1c(F)cc(F)cc1CNc1ccc(F)cc1OCC(F)F ZINC001178350270 1050443820 /nfs/dbraw/zinc/44/38/20/1050443820.db2.gz GDXXMCRQEJSQJU-UHFFFAOYSA-N -1 1 333.256 4.066 20 10 EICDMM O=C(C[C@H]1CCCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001180410205 1050993536 /nfs/dbraw/zinc/99/35/36/1050993536.db2.gz MDAFLAOWCPKBGN-CQSZACIVSA-N -1 1 329.827 4.172 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001180419590 1050997704 /nfs/dbraw/zinc/99/77/04/1050997704.db2.gz APUCYYTYIKOECR-WBVHZDCISA-N -1 1 343.854 4.321 20 10 EICDMM Cc1ccc(C2(C(=O)NCc3cccc(Cl)c3[O-])CCC2)cc1 ZINC001180421009 1050999414 /nfs/dbraw/zinc/99/94/14/1050999414.db2.gz SYDAIXBZUNOISB-UHFFFAOYSA-N -1 1 329.827 4.092 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CN1CCN(CC2CC2)c2ccccc21 ZINC001180759711 1051072334 /nfs/dbraw/zinc/07/23/34/1051072334.db2.gz VFKVNTGZWBKKRX-UHFFFAOYSA-N -1 1 346.833 4.421 20 10 EICDMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(O)c([O-])c1Cl ZINC001193209298 1051885518 /nfs/dbraw/zinc/88/55/18/1051885518.db2.gz IJAUKIHGXIAXLY-UHFFFAOYSA-N -1 1 346.795 4.127 20 10 EICDMM CC[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccc(C)cc1C ZINC001193247387 1051890691 /nfs/dbraw/zinc/89/06/91/1051890691.db2.gz WXBUVLCMRHWTCD-CQSZACIVSA-N -1 1 333.815 4.249 20 10 EICDMM Cc1ccc2oc(NCc3cccc(Br)c3[O-])nc2c1 ZINC000764935578 1053386383 /nfs/dbraw/zinc/38/63/83/1053386383.db2.gz YBEFZZIKJJAYCL-UHFFFAOYSA-N -1 1 333.185 4.216 20 10 EICDMM Cc1cccc2c(NCc3cccc(Br)c3[O-])ncnc12 ZINC000764934787 1053386996 /nfs/dbraw/zinc/38/69/96/1053386996.db2.gz LSNDKIMHQHIQTA-UHFFFAOYSA-N -1 1 344.212 4.018 20 10 EICDMM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775658115 1053424084 /nfs/dbraw/zinc/42/40/84/1053424084.db2.gz MBGGZDLCTBPRTC-QGZVFWFLSA-N -1 1 341.842 4.269 20 10 EICDMM Cc1cccc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765218649 1053468792 /nfs/dbraw/zinc/46/87/92/1053468792.db2.gz RLFINZTVHTWFLG-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM COc1ccc(C(=O)[O-])cc1NCc1cc(Cl)cc(Cl)c1O ZINC000387127811 1053844828 /nfs/dbraw/zinc/84/48/28/1053844828.db2.gz MOOPCJSRKXVCBD-UHFFFAOYSA-N -1 1 342.178 4.018 20 10 EICDMM O=C(CC1CCCCCC1)NCc1cccc(Br)c1[O-] ZINC000765736566 1053900147 /nfs/dbraw/zinc/90/01/47/1053900147.db2.gz ORTKHRXINYKFRC-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM C[C@@H](CCC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765755199 1053998000 /nfs/dbraw/zinc/99/80/00/1053998000.db2.gz HWIUUIJQTLWNLO-NSHDSACASA-N -1 1 342.277 4.233 20 10 EICDMM O=C(NCc1cccc(Br)c1[O-])C1CCCCCCC1 ZINC000765770306 1054839044 /nfs/dbraw/zinc/83/90/44/1054839044.db2.gz OAJSZATWKWDMPI-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877846641 1055135235 /nfs/dbraw/zinc/13/52/35/1055135235.db2.gz COLPNCYKIRDPJJ-AWEZNQCLSA-N -1 1 341.169 4.034 20 10 EICDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc(Cl)c([O-])c1 ZINC001212589652 1060785379 /nfs/dbraw/zinc/78/53/79/1060785379.db2.gz XILZNQLJHGIOEK-YWTBVUPUSA-N -1 1 339.786 4.313 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](c1cccs1)C1CC1 ZINC000891693231 1023881335 /nfs/dbraw/zinc/88/13/35/1023881335.db2.gz XDDBEHIHNMDIFP-CQSZACIVSA-N -1 1 336.844 4.058 20 10 EICDMM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(F)c(F)c1[O-] ZINC000276998788 1024981930 /nfs/dbraw/zinc/98/19/30/1024981930.db2.gz YXYGVVYVXDZNKT-QMMMGPOBSA-N -1 1 347.283 4.262 20 10 EICDMM CC(C)(C)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280580165 1035294178 /nfs/dbraw/zinc/29/41/78/1035294178.db2.gz ADGBNFJJMLYKJS-UHFFFAOYSA-N -1 1 332.831 4.186 20 10 EICDMM Cc1c(F)cccc1NCc1cc(Br)cc(F)c1[O-] ZINC000715779786 1044243529 /nfs/dbraw/zinc/24/35/29/1044243529.db2.gz UERCZIDLPWZBSY-UHFFFAOYSA-N -1 1 328.156 4.353 20 10 EICDMM Cc1cc(Cl)cc2nc(SCC(=O)c3ccc([O-])c(O)c3)oc21 ZINC000735234604 1044765351 /nfs/dbraw/zinc/76/53/51/1044765351.db2.gz NAXIKIYSJBBCQP-UHFFFAOYSA-N -1 1 349.795 4.176 20 10 EICDMM C[C@@H]1CN(c2ccc(NCc3cccc(Cl)c3[O-])cc2)C[C@H](C)O1 ZINC000790945535 1045630257 /nfs/dbraw/zinc/63/02/57/1045630257.db2.gz GQSMDMFBNFSHEL-OKILXGFUSA-N -1 1 346.858 4.271 20 10 EICDMM COCCOc1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC000790964221 1045641270 /nfs/dbraw/zinc/64/12/70/1045641270.db2.gz UZTNMHGWPDMJBN-UHFFFAOYSA-N -1 1 339.794 4.130 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Cn2cccn2)cc1 ZINC000790976612 1045663645 /nfs/dbraw/zinc/66/36/45/1045663645.db2.gz UWPBNWYBMCSEHM-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768265452 1045772645 /nfs/dbraw/zinc/77/26/45/1045772645.db2.gz DJUZRYKHAUQGDY-MRXNPFEDSA-N -1 1 334.778 4.161 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000769482090 1045967876 /nfs/dbraw/zinc/96/78/76/1045967876.db2.gz YRTDGISXTLKYAR-UHFFFAOYSA-N -1 1 348.233 4.175 20 10 EICDMM COc1c(F)cc(F)cc1NCc1cccc(Br)c1[O-] ZINC000770562349 1046234973 /nfs/dbraw/zinc/23/49/73/1046234973.db2.gz CDRBUYBKQPBGIN-UHFFFAOYSA-N -1 1 344.155 4.054 20 10 EICDMM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000917499280 1046913791 /nfs/dbraw/zinc/91/37/91/1046913791.db2.gz AUZMHCCSTJDCEI-OAHLLOKOSA-N -1 1 337.206 4.285 20 10 EICDMM CC[C@H](Nc1cccc2c1oc(=O)n2C)c1cccc(Cl)c1[O-] ZINC000806154776 1047177070 /nfs/dbraw/zinc/17/70/70/1047177070.db2.gz JXXRMZKTXWUXIN-LBPRGKRZSA-N -1 1 332.787 4.054 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(N2CCCCC2)cn1 ZINC000816536665 1048826710 /nfs/dbraw/zinc/82/67/10/1048826710.db2.gz GMIDMFGWCXLYSD-UHFFFAOYSA-N -1 1 335.810 4.182 20 10 EICDMM Cc1ccn(-c2ccccc2NCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816524141 1048830263 /nfs/dbraw/zinc/83/02/63/1048830263.db2.gz SGRSXCAGJFSWNG-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM COC(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1C ZINC000816598667 1048840237 /nfs/dbraw/zinc/84/02/37/1048840237.db2.gz LDGCFRBNEYJENC-UHFFFAOYSA-N -1 1 338.766 4.284 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC001179366324 1050685105 /nfs/dbraw/zinc/68/51/05/1050685105.db2.gz VBEHGXLLEAGXBL-CQSZACIVSA-N -1 1 349.711 4.393 20 10 EICDMM C[C@H]1SCCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001179938940 1050824300 /nfs/dbraw/zinc/82/43/00/1050824300.db2.gz ZVGHYZKCEIHGTG-PXAZEXFGSA-N -1 1 335.419 4.349 20 10 EICDMM Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(Cl)c1 ZINC001180077234 1050874299 /nfs/dbraw/zinc/87/42/99/1050874299.db2.gz OCNPRRCWLXYCCY-SJCJKPOMSA-N -1 1 337.872 4.378 20 10 EICDMM CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647658 1053366982 /nfs/dbraw/zinc/36/69/82/1053366982.db2.gz XHMGQNIUEZFEPT-UHFFFAOYSA-N -1 1 345.805 4.002 20 10 EICDMM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775715069 1053663279 /nfs/dbraw/zinc/66/32/79/1053663279.db2.gz BGEAEPGAOHNUKA-YVEFUNNKSA-N -1 1 335.806 4.147 20 10 EICDMM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc2occc2c1 ZINC001198862336 1054287015 /nfs/dbraw/zinc/28/70/15/1054287015.db2.gz RIOOVTQJDXHRKS-UHFFFAOYSA-N -1 1 339.372 4.092 20 10 EICDMM CN(Cc1ccc(Cl)nc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125739665 1054853353 /nfs/dbraw/zinc/85/33/53/1054853353.db2.gz JPFIJMMLVPZOND-UHFFFAOYSA-N -1 1 331.630 4.379 20 10 EICDMM CCC1(C(=O)NCc2cccc(Cl)c2[O-])CCC(F)(F)CC1 ZINC000890761017 1020421897 /nfs/dbraw/zinc/42/18/97/1020421897.db2.gz ILGBQEQZDRCYHV-UHFFFAOYSA-N -1 1 331.790 4.268 20 10 EICDMM C[C@@H](NCc1cscn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756507086 1023138617 /nfs/dbraw/zinc/13/86/17/1023138617.db2.gz AKAAYOCUIVWHGP-SSDOTTSWSA-N -1 1 347.665 4.115 20 10 EICDMM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1nccn1-c1ccccc1 ZINC000367568499 1030209681 /nfs/dbraw/zinc/20/96/81/1030209681.db2.gz YOQWUOQSBZXQET-CHWSQXEVSA-N -1 1 343.377 4.268 20 10 EICDMM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1cccc(F)c1 ZINC000741136052 1045272777 /nfs/dbraw/zinc/27/27/77/1045272777.db2.gz BDDMSTNAUQLWNZ-UHFFFAOYSA-N -1 1 348.443 4.007 20 10 EICDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC000741136335 1045272969 /nfs/dbraw/zinc/27/29/69/1045272969.db2.gz RGXIENNZBWVWSC-UHFFFAOYSA-N -1 1 344.480 4.176 20 10 EICDMM CC(=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000790951416 1045634822 /nfs/dbraw/zinc/63/48/22/1045634822.db2.gz OQKJDZGXIGXFOO-UHFFFAOYSA-N -1 1 343.185 4.409 20 10 EICDMM Cc1nnc(-c2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)o1 ZINC000790981416 1045665990 /nfs/dbraw/zinc/66/59/90/1045665990.db2.gz OHUFJEKNTKYCAW-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266581 1045771560 /nfs/dbraw/zinc/77/15/60/1045771560.db2.gz VIOOZNDZPCVUSS-CQSZACIVSA-N -1 1 341.169 4.034 20 10 EICDMM C[C@@H](c1ccco1)N(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000769101183 1045879162 /nfs/dbraw/zinc/87/91/62/1045879162.db2.gz BCSMBFROXGQLPC-JTQLQIEISA-N -1 1 336.775 4.272 20 10 EICDMM CC[C@@H](Nc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1[O-] ZINC000806151338 1047177272 /nfs/dbraw/zinc/17/72/72/1047177272.db2.gz DZONIVMPZPWJTP-GOSISDBHSA-N -1 1 346.858 4.445 20 10 EICDMM CC[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(Cl)c1[O-] ZINC000806157755 1047182236 /nfs/dbraw/zinc/18/22/36/1047182236.db2.gz ULTMVHLDCKXOIM-CXAGYDPISA-N -1 1 344.842 4.212 20 10 EICDMM CN(C)c1nc2cc(NCc3c([O-])ccc(Cl)c3F)ccc2o1 ZINC000790240325 1047539464 /nfs/dbraw/zinc/53/94/64/1047539464.db2.gz FKGNGCDVEQUSSH-UHFFFAOYSA-N -1 1 335.766 4.004 20 10 EICDMM [O-]c1c(Br)cccc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000815155286 1048354572 /nfs/dbraw/zinc/35/45/72/1048354572.db2.gz ZIDMUFKRCKODLU-CQSZACIVSA-N -1 1 348.240 4.271 20 10 EICDMM CCC(=O)Nc1ccc(C)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816522318 1048828307 /nfs/dbraw/zinc/82/83/07/1048828307.db2.gz TXSGYYVMZDZEBF-UHFFFAOYSA-N -1 1 336.794 4.454 20 10 EICDMM Cc1cc(-c2nnco2)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525399 1048830218 /nfs/dbraw/zinc/83/02/18/1048830218.db2.gz RLZWJIKDMVQCPW-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1ccnn1Cc1ccccc1F ZINC000816563902 1048835431 /nfs/dbraw/zinc/83/54/31/1048835431.db2.gz NENKVBCKUBTKEH-UHFFFAOYSA-N -1 1 349.768 4.181 20 10 EICDMM CC(=O)N(c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000816663748 1048851527 /nfs/dbraw/zinc/85/15/27/1048851527.db2.gz HNTHAWDVNHSQON-KPZWWZAWSA-N -1 1 344.842 4.419 20 10 EICDMM CC[C@@H](Nc1ccc(COCCO)cc1)c1cccc(Cl)c1[O-] ZINC000818361283 1049148852 /nfs/dbraw/zinc/14/88/52/1049148852.db2.gz IDFOFPXDYOLTHH-QGZVFWFLSA-N -1 1 335.831 4.118 20 10 EICDMM CC[C@H](Nc1ccc(COCCO)cc1)c1cccc(Cl)c1[O-] ZINC000818361281 1049150877 /nfs/dbraw/zinc/15/08/77/1049150877.db2.gz IDFOFPXDYOLTHH-KRWDZBQOSA-N -1 1 335.831 4.118 20 10 EICDMM CCOc1ccc(NCc2cc(F)cc(F)c2[O-])c2ncccc12 ZINC001178430707 1050455717 /nfs/dbraw/zinc/45/57/17/1050455717.db2.gz KQLMRDPCJJEVHX-UHFFFAOYSA-N -1 1 330.334 4.229 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1nn2cc(C3CCCC3)nc2s1 ZINC001187861554 1050633933 /nfs/dbraw/zinc/63/39/33/1050633933.db2.gz KQYUJGIDGCETEL-UHFFFAOYSA-N -1 1 348.859 4.420 20 10 EICDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001237078777 1050656264 /nfs/dbraw/zinc/65/62/64/1050656264.db2.gz WYBRLSUOAAVGJU-QMMMGPOBSA-N -1 1 328.161 4.126 20 10 EICDMM C[C@H]1SCCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001179938943 1050823959 /nfs/dbraw/zinc/82/39/59/1050823959.db2.gz ZVGHYZKCEIHGTG-SJKOYZFVSA-N -1 1 335.419 4.349 20 10 EICDMM CCCCOc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180401358 1050980988 /nfs/dbraw/zinc/98/09/88/1050980988.db2.gz SXMOMANCHAJCKW-UHFFFAOYSA-N -1 1 333.815 4.155 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001180420237 1050997466 /nfs/dbraw/zinc/99/74/66/1050997466.db2.gz JHMIKHBVRXWDRO-HUUCEWRRSA-N -1 1 329.827 4.246 20 10 EICDMM [O-]c1c(Br)cccc1CNc1cccc(C(F)(F)F)n1 ZINC000764935568 1053386000 /nfs/dbraw/zinc/38/60/00/1053386000.db2.gz XKXCCWHZPVVZOW-UHFFFAOYSA-N -1 1 347.134 4.181 20 10 EICDMM Cc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765212917 1053469307 /nfs/dbraw/zinc/46/93/07/1053469307.db2.gz VKFGJMUQQXTZTJ-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM COc1ccc(NCc2cccc(Cl)c2[O-])cc1Br ZINC000124623346 1054585825 /nfs/dbraw/zinc/58/58/25/1054585825.db2.gz BSQXSILKLJUQDJ-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM CCOc1ccc(OC)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201045543 1054650235 /nfs/dbraw/zinc/65/02/35/1054650235.db2.gz FFBDOMZTHLLXAG-UHFFFAOYSA-N -1 1 325.767 4.204 20 10 EICDMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877847863 1055134540 /nfs/dbraw/zinc/13/45/40/1055134540.db2.gz HBTVVDFNJZCXFC-CQSZACIVSA-N -1 1 341.169 4.034 20 10 EICDMM C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1[O-] ZINC000187795342 1030373641 /nfs/dbraw/zinc/37/36/41/1030373641.db2.gz VDMHJLBMQJBAHZ-JTQLQIEISA-N -1 1 347.390 4.040 20 10 EICDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1 ZINC000740609366 1045202558 /nfs/dbraw/zinc/20/25/58/1045202558.db2.gz ITTRPSBDTPNPMA-UHFFFAOYSA-N -1 1 344.480 4.032 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(SCCCO)cc1 ZINC000790981333 1045667709 /nfs/dbraw/zinc/66/77/09/1045667709.db2.gz NGBYIHADXDAEHI-UHFFFAOYSA-N -1 1 341.835 4.271 20 10 EICDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2cccs2)c1[O-] ZINC000768196605 1045752341 /nfs/dbraw/zinc/75/23/41/1045752341.db2.gz SBBKFBQSOQWRMC-LBPRGKRZSA-N -1 1 338.816 4.352 20 10 EICDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2ccsc2)c1[O-] ZINC000768330190 1045789055 /nfs/dbraw/zinc/78/90/55/1045789055.db2.gz PLWOKDVYCATRJB-CYBMUJFWSA-N -1 1 338.816 4.352 20 10 EICDMM CC[C@H](Nc1cnn(Cc2ccccn2)c1)c1cccc(Cl)c1[O-] ZINC000806154314 1047179849 /nfs/dbraw/zinc/17/98/49/1047179849.db2.gz DZTZCNYZVJMCFA-KRWDZBQOSA-N -1 1 342.830 4.249 20 10 EICDMM CC[C@H](Nc1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806156396 1047180161 /nfs/dbraw/zinc/18/01/61/1047180161.db2.gz BWSCDIOPLDRFRN-KRWDZBQOSA-N -1 1 332.831 4.245 20 10 EICDMM CC[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(Cl)c1[O-] ZINC000806157759 1047183363 /nfs/dbraw/zinc/18/33/63/1047183363.db2.gz ULTMVHLDCKXOIM-GUYCJALGSA-N -1 1 344.842 4.212 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001142527276 1047527448 /nfs/dbraw/zinc/52/74/48/1047527448.db2.gz RBHSZPGKBMYOLQ-INIZCTEOSA-N -1 1 325.305 4.286 20 10 EICDMM [O-]c1cc(F)c(F)cc1CN1Cc2nc(-c3ccccc3)sc2C1 ZINC001142534505 1047556729 /nfs/dbraw/zinc/55/67/29/1047556729.db2.gz LXPSFDBWGSCYKI-UHFFFAOYSA-N -1 1 344.386 4.310 20 10 EICDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000790415240 1047585254 /nfs/dbraw/zinc/58/52/54/1047585254.db2.gz BYCDCDQQALWIHI-UHFFFAOYSA-N -1 1 346.235 4.062 20 10 EICDMM CCN(Cc1ccccc1NCc1cccc(Cl)c1[O-])C(C)=O ZINC000824956659 1048004795 /nfs/dbraw/zinc/00/47/95/1048004795.db2.gz LBDDSWRJMHTKOQ-UHFFFAOYSA-N -1 1 332.831 4.026 20 10 EICDMM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809768381 1048501907 /nfs/dbraw/zinc/50/19/07/1048501907.db2.gz JDHZLBMBSSANBD-CQSZACIVSA-N -1 1 340.254 4.376 20 10 EICDMM CCc1c(NCc2cc(Cl)c(F)cc2[O-])cnn1CC(C)C ZINC000816559507 1048835332 /nfs/dbraw/zinc/83/53/32/1048835332.db2.gz MFMKWUBMUFGWKS-UHFFFAOYSA-N -1 1 325.815 4.212 20 10 EICDMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])c(C)n1-c1ccccc1C ZINC001171632686 1049763119 /nfs/dbraw/zinc/76/31/19/1049763119.db2.gz KPGVBZWCBPFNOX-UHFFFAOYSA-N -1 1 338.382 4.500 20 10 EICDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@H](CF)C(F)(F)C1 ZINC001237078772 1050655902 /nfs/dbraw/zinc/65/59/02/1050655902.db2.gz WYBRLSUOAAVGJU-MRVPVSSYSA-N -1 1 328.161 4.126 20 10 EICDMM Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077235 1050875303 /nfs/dbraw/zinc/87/53/03/1050875303.db2.gz OCNPRRCWLXYCCY-SJKOYZFVSA-N -1 1 337.872 4.378 20 10 EICDMM Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409581 1050993031 /nfs/dbraw/zinc/99/30/31/1050993031.db2.gz CYHQHTBQUSWUMT-UHFFFAOYSA-N -1 1 338.860 4.038 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001180419587 1050994665 /nfs/dbraw/zinc/99/46/65/1050994665.db2.gz APUCYYTYIKOECR-DOTOQJQBSA-N -1 1 343.854 4.321 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2ccccc2)ccn1 ZINC001180420946 1050998800 /nfs/dbraw/zinc/99/88/00/1050998800.db2.gz SDJWGECIXLIEAR-UHFFFAOYSA-N -1 1 338.794 4.038 20 10 EICDMM Cc1sccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174460697 1051006750 /nfs/dbraw/zinc/00/67/50/1051006750.db2.gz FGMHAYMHGXJMNZ-UHFFFAOYSA-N -1 1 335.384 4.281 20 10 EICDMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(O)c([O-])c1Cl ZINC001193230545 1051893907 /nfs/dbraw/zinc/89/39/07/1051893907.db2.gz UMCHHNNYILDYAP-UHFFFAOYSA-N -1 1 339.778 4.255 20 10 EICDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(C(F)(F)F)c1 ZINC001193230556 1051894032 /nfs/dbraw/zinc/89/40/32/1051894032.db2.gz UXSQUBAVOWFCHY-UHFFFAOYSA-N -1 1 345.704 4.331 20 10 EICDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1cscn1 ZINC000850511441 1053267382 /nfs/dbraw/zinc/26/73/82/1053267382.db2.gz FBTRHYVCYFQBEV-JGVFFNPUSA-N -1 1 345.237 4.162 20 10 EICDMM Cc1ccc(Cl)c(NCc2cccc(Br)c2[O-])n1 ZINC000764933105 1053385178 /nfs/dbraw/zinc/38/51/78/1053385178.db2.gz CCLQNDQBDLDRJX-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM Cc1ccccc1[C@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775715465 1053663455 /nfs/dbraw/zinc/66/34/55/1053663455.db2.gz XQCULVTZNDQDNC-KBXCAEBGSA-N -1 1 331.843 4.316 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(OCC(F)F)cc1 ZINC000775750061 1053812791 /nfs/dbraw/zinc/81/27/91/1053812791.db2.gz YEAXRCYOSQMTLI-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(F)ccc1[O-] ZINC000857454370 1054251512 /nfs/dbraw/zinc/25/15/12/1054251512.db2.gz WPMSPNAAVPFJFC-UHFFFAOYSA-N -1 1 328.387 4.164 20 10 EICDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1OC1CCCC1 ZINC000742429487 1058626974 /nfs/dbraw/zinc/62/69/74/1058626974.db2.gz RULAFBLLYPCSAO-MDWZMJQESA-N -1 1 339.869 4.150 20 10 EICDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Oc2cccc(F)c2)cc1 ZINC000766286909 1058785929 /nfs/dbraw/zinc/78/59/29/1058785929.db2.gz FMIIIXIVJLXEBY-RIYZIHGNSA-N -1 1 331.393 4.107 20 10 EICDMM C[C@@H](NCc1cccc(Cl)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000191531416 1030636904 /nfs/dbraw/zinc/63/69/04/1030636904.db2.gz CSYFVDUPQKKIQG-SNVBAGLBSA-N -1 1 347.777 4.086 20 10 EICDMM [O-]c1c(Br)ccc(Cl)c1Nc1ccncc1Cl ZINC001212161902 1036939519 /nfs/dbraw/zinc/93/95/19/1036939519.db2.gz HCTZXXLFYMZYOL-UHFFFAOYSA-N -1 1 334.000 4.022 20 10 EICDMM CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273458065 1037471612 /nfs/dbraw/zinc/47/16/12/1037471612.db2.gz HNFJFCUAKYRYHI-IUCAKERBSA-N -1 1 343.258 4.352 20 10 EICDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(F)cc1F ZINC000715791645 1044600358 /nfs/dbraw/zinc/60/03/58/1044600358.db2.gz IWPDVOABILVRTH-UHFFFAOYSA-N -1 1 332.119 4.184 20 10 EICDMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266934 1045774142 /nfs/dbraw/zinc/77/41/42/1045774142.db2.gz XJQKIBANRTZLBG-AWEZNQCLSA-N -1 1 341.169 4.034 20 10 EICDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1NC(=O)N(C)C ZINC000793413700 1046226158 /nfs/dbraw/zinc/22/61/58/1046226158.db2.gz RCNPAGRVYDKHMJ-UHFFFAOYSA-N -1 1 333.819 4.060 20 10 EICDMM CC[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cccc(Cl)c1[O-] ZINC000806164988 1047189047 /nfs/dbraw/zinc/18/90/47/1047189047.db2.gz FUNKDJXAOVJZNC-KRWDZBQOSA-N -1 1 342.826 4.461 20 10 EICDMM CC(=Cc1cccc(C(F)(F)F)c1)C=C1SC(=S)[N-]C1=O ZINC000806569391 1047311141 /nfs/dbraw/zinc/31/11/41/1047311141.db2.gz SLUYPFXLRJGBBH-IGJCCDITSA-N -1 1 329.368 4.141 20 10 EICDMM O=C1[N-]C(=S)S/C1=C/c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000789129402 1047369459 /nfs/dbraw/zinc/36/94/59/1047369459.db2.gz ZUHVVNDSHYQVAV-NTEUORMPSA-N -1 1 331.849 4.496 20 10 EICDMM CO[C@@H]1CCOc2c(NCc3c([O-])ccc(Cl)c3F)cccc21 ZINC000790487222 1047597066 /nfs/dbraw/zinc/59/70/66/1047597066.db2.gz WPCNEVIVVWFSPZ-OAHLLOKOSA-N -1 1 337.778 4.267 20 10 EICDMM CC(=O)N(c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)C1CC1 ZINC000815160362 1048355081 /nfs/dbraw/zinc/35/50/81/1048355081.db2.gz XRPFGIHBLHPWRZ-UHFFFAOYSA-N -1 1 348.805 4.312 20 10 EICDMM CC(=O)N(c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1)C1CC1 ZINC000816661792 1048852140 /nfs/dbraw/zinc/85/21/40/1048852140.db2.gz XTTUFUGEAMRNSV-UHFFFAOYSA-N -1 1 348.805 4.312 20 10 EICDMM COc1cc(NCc2cccc(Cl)c2[O-])c(Cl)cc1[N+](=O)[O-] ZINC001187862882 1050634337 /nfs/dbraw/zinc/63/43/37/1050634337.db2.gz VOWNYJLAOFCTKW-UHFFFAOYSA-N -1 1 343.166 4.228 20 10 EICDMM Cc1ccc(-c2nnc(NCc3c([O-])ccc(Cl)c3F)o2)s1 ZINC000775157083 1050669386 /nfs/dbraw/zinc/66/93/86/1050669386.db2.gz AYGNIUPFZNLQOL-UHFFFAOYSA-N -1 1 339.779 4.217 20 10 EICDMM O=C(C[C@@H]1CCCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001180410204 1050992330 /nfs/dbraw/zinc/99/23/30/1050992330.db2.gz MDAFLAOWCPKBGN-AWEZNQCLSA-N -1 1 329.827 4.172 20 10 EICDMM Cc1ncc(Br)cc1NCc1c([O-])ccc(Cl)c1F ZINC001181919882 1051352763 /nfs/dbraw/zinc/35/27/63/1051352763.db2.gz KPXDYPVBSJOOOD-UHFFFAOYSA-N -1 1 345.599 4.263 20 10 EICDMM COc1nccc2c(NCc3cc(Cl)cc(F)c3[O-])cccc21 ZINC000864015441 1053142709 /nfs/dbraw/zinc/14/27/09/1053142709.db2.gz OPXAJAFVGBKIBS-UHFFFAOYSA-N -1 1 332.762 4.354 20 10 EICDMM CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499662 1053259908 /nfs/dbraw/zinc/25/99/08/1053259908.db2.gz UIRRNOPTAMUJBP-UWJYBYFXSA-N -1 1 341.242 4.037 20 10 EICDMM C[C@@H](N[C@@H](C)c1cscn1)c1cc(Br)c(F)cc1[O-] ZINC000850512145 1053269589 /nfs/dbraw/zinc/26/95/89/1053269589.db2.gz WRGOFCCZPYOGFE-SFYZADRCSA-N -1 1 345.237 4.162 20 10 EICDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765211405 1053469136 /nfs/dbraw/zinc/46/91/36/1053469136.db2.gz OXISNPJZBQRFKB-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765209573 1053469195 /nfs/dbraw/zinc/46/91/95/1053469195.db2.gz ATRUMRKMDAEALA-UHFFFAOYSA-N -1 1 349.228 4.093 20 10 EICDMM Cc1cnn(-c2ccc(C)cc2NCc2cccc(Cl)c2[O-])c1 ZINC000775750533 1053814887 /nfs/dbraw/zinc/81/48/87/1053814887.db2.gz ULOZWXSNSBRBAN-UHFFFAOYSA-N -1 1 327.815 4.460 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC001198919304 1054303888 /nfs/dbraw/zinc/30/38/88/1054303888.db2.gz WQNRFRNLXVZUCD-SFHVURJKSA-N -1 1 342.801 4.459 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](c1ccncc1)C1CCCC1 ZINC000890761804 1020425223 /nfs/dbraw/zinc/42/52/23/1020425223.db2.gz YQTPIFWTRBCTTG-KRWDZBQOSA-N -1 1 344.842 4.031 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(OCC(F)F)cc1 ZINC000790972058 1045659913 /nfs/dbraw/zinc/65/99/13/1045659913.db2.gz CHHVTESYJGRYSW-UHFFFAOYSA-N -1 1 331.721 4.441 20 10 EICDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1NC(=O)N(C)C ZINC000793239539 1046186176 /nfs/dbraw/zinc/18/61/76/1046186176.db2.gz ASUWVSZICMSBJW-UHFFFAOYSA-N -1 1 333.819 4.060 20 10 EICDMM CN(Cc1cccc(Br)c1[O-])c1ccc2cc[nH]c2c1 ZINC000793243247 1046189616 /nfs/dbraw/zinc/18/96/16/1046189616.db2.gz VYMJPTVKDKBWRA-UHFFFAOYSA-N -1 1 331.213 4.272 20 10 EICDMM COCCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)c1 ZINC000816523665 1048830084 /nfs/dbraw/zinc/83/00/84/1048830084.db2.gz ZKWPBHJTWBWXJT-UHFFFAOYSA-N -1 1 339.794 4.130 20 10 EICDMM Cn1ccnc1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525079 1048830600 /nfs/dbraw/zinc/83/06/00/1048830600.db2.gz DBTSFQZSRPZIEA-UHFFFAOYSA-N -1 1 331.778 4.197 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CN1CCSC[C@H]1c1ccccc1 ZINC001180379348 1050975952 /nfs/dbraw/zinc/97/59/52/1050975952.db2.gz ZCGHBUFWAOYVNS-INIZCTEOSA-N -1 1 337.847 4.475 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001180419588 1050996491 /nfs/dbraw/zinc/99/64/91/1050996491.db2.gz APUCYYTYIKOECR-NVXWUHKLSA-N -1 1 343.854 4.321 20 10 EICDMM CCSCc1cccnc1NCc1cc(Cl)c(F)cc1[O-] ZINC001183491439 1051847145 /nfs/dbraw/zinc/84/71/45/1051847145.db2.gz PPXBPGZHPBVEON-UHFFFAOYSA-N -1 1 326.824 4.445 20 10 EICDMM CCN(Cc1ccccc1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000211354305 1052561473 /nfs/dbraw/zinc/56/14/73/1052561473.db2.gz XMHXYXFWEDHFLY-SFQUDFHCSA-N -1 1 338.432 4.037 20 10 EICDMM CC(=O)N(Cc1ccc(NCc2cccc(Cl)c2[O-])cc1)C(C)C ZINC000775756431 1053828056 /nfs/dbraw/zinc/82/80/56/1053828056.db2.gz ILBPMYXLZNVYKX-UHFFFAOYSA-N -1 1 346.858 4.415 20 10 EICDMM O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000776749087 1053828770 /nfs/dbraw/zinc/82/87/70/1053828770.db2.gz WTTLTTBIPCCVHW-BQYQJAHWSA-N -1 1 344.219 4.112 20 10 EICDMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000862536338 1055081012 /nfs/dbraw/zinc/08/10/12/1055081012.db2.gz HMERIDQLUHBYLU-SNVBAGLBSA-N -1 1 348.805 4.267 20 10 EICDMM O=C(CSc1ccc(Cl)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000088310595 1022664342 /nfs/dbraw/zinc/66/43/42/1022664342.db2.gz MPOQZMXGGPTUHP-UHFFFAOYSA-N -1 1 329.204 4.380 20 10 EICDMM Cc1nc2cc(NCc3cccc(Br)c3[O-])ccc2o1 ZINC000048795243 1026417047 /nfs/dbraw/zinc/41/70/47/1026417047.db2.gz QOUVTGFMOQBHGF-UHFFFAOYSA-N -1 1 333.185 4.216 20 10 EICDMM CCC(CC)c1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000273615733 1037531259 /nfs/dbraw/zinc/53/12/59/1037531259.db2.gz XGFAWACNXQTDQS-NSHDSACASA-N -1 1 333.388 4.043 20 10 EICDMM O=C1N[C@@H](c2cccc(Cl)c2[O-])Nc2c3ccccc3sc21 ZINC000172860125 1038355748 /nfs/dbraw/zinc/35/57/48/1038355748.db2.gz HBFFNNSSCDNWMC-HNNXBMFYSA-N -1 1 330.796 4.114 20 10 EICDMM CN(C(=O)C1CC1)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000922564768 1044815829 /nfs/dbraw/zinc/81/58/29/1044815829.db2.gz GMCKRBTXEIWNIR-UHFFFAOYSA-N -1 1 348.805 4.170 20 10 EICDMM COc1cc(C)c(NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000790951711 1045634887 /nfs/dbraw/zinc/63/48/87/1045634887.db2.gz PHBAEOBTTDKBKG-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM Cc1cc(-c2nnco2)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000790976558 1045662285 /nfs/dbraw/zinc/66/22/85/1045662285.db2.gz RJOYBTCKVNIVQR-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])c2ncccc12 ZINC000770689087 1046257177 /nfs/dbraw/zinc/25/71/77/1046257177.db2.gz NADORXBLNQXCCP-UHFFFAOYSA-N -1 1 332.762 4.354 20 10 EICDMM CCNC(=O)Nc1ccc(C)c(NCc2cccc(Cl)c2[O-])c1 ZINC000787312078 1046989490 /nfs/dbraw/zinc/98/94/90/1046989490.db2.gz ITJBWLNNASAPGD-UHFFFAOYSA-N -1 1 333.819 4.108 20 10 EICDMM CC[C@@H](Nc1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1[O-] ZINC000806156397 1047179634 /nfs/dbraw/zinc/17/96/34/1047179634.db2.gz BWSCDIOPLDRFRN-QGZVFWFLSA-N -1 1 332.831 4.245 20 10 EICDMM COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2O)cc1OC ZINC001142520073 1047495499 /nfs/dbraw/zinc/49/54/99/1047495499.db2.gz BGBMLFADBZXKPZ-INIZCTEOSA-N -1 1 349.377 4.025 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(CC2CCCCC2)o1 ZINC000790241502 1047539513 /nfs/dbraw/zinc/53/95/13/1047539513.db2.gz WCTZMLUPAJWEPD-UHFFFAOYSA-N -1 1 339.798 4.303 20 10 EICDMM [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775694 1048505994 /nfs/dbraw/zinc/50/59/94/1048505994.db2.gz ICXKONXXEHKUPJ-UHFFFAOYSA-N -1 1 332.614 4.348 20 10 EICDMM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815626587 1048549454 /nfs/dbraw/zinc/54/94/54/1048549454.db2.gz HROKASYIGDDGCK-KRTXAFLBSA-N -1 1 327.268 4.403 20 10 EICDMM Cc1nnc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)o1 ZINC000816527477 1048831253 /nfs/dbraw/zinc/83/12/53/1048831253.db2.gz MBWVNVOEUUWADR-UHFFFAOYSA-N -1 1 333.750 4.155 20 10 EICDMM CC(=O)Nc1cccc2c1CCCN2Cc1cc(Cl)c(F)cc1[O-] ZINC000816565881 1048836747 /nfs/dbraw/zinc/83/67/47/1048836747.db2.gz FDOUSJVATXYCFO-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM CC(=O)N(c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@H]1C[C@@H]1C ZINC000816663750 1048852336 /nfs/dbraw/zinc/85/23/36/1048852336.db2.gz HNTHAWDVNHSQON-SGTLLEGYSA-N -1 1 344.842 4.419 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ncc(C(F)(F)F)s1 ZINC000811837565 1049286717 /nfs/dbraw/zinc/28/67/17/1049286717.db2.gz XEPQDMRUKIVNIN-UHFFFAOYSA-N -1 1 326.702 4.272 20 10 EICDMM Cc1cc(Cl)cnc1NCc1cccc(Br)c1[O-] ZINC000812345933 1049448242 /nfs/dbraw/zinc/44/82/42/1049448242.db2.gz WXGBCNWSJDQYSC-UHFFFAOYSA-N -1 1 327.609 4.124 20 10 EICDMM Cc1nc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)c(C)cc2s1 ZINC001193228937 1051894095 /nfs/dbraw/zinc/89/40/95/1051894095.db2.gz BDUDPKDCHQJDSO-UHFFFAOYSA-N -1 1 348.811 4.230 20 10 EICDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194431519 1052153550 /nfs/dbraw/zinc/15/35/50/1052153550.db2.gz LDSUDUBQZNTNSQ-UHFFFAOYSA-N -1 1 347.823 4.308 20 10 EICDMM COc1ccnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])c1F ZINC000850538306 1053302051 /nfs/dbraw/zinc/30/20/51/1053302051.db2.gz YHVDWLXEZMGZEB-MRVPVSSYSA-N -1 1 345.201 4.093 20 10 EICDMM [O-]c1c(Cl)cccc1CNc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000775750871 1053815925 /nfs/dbraw/zinc/81/59/25/1053815925.db2.gz VCVZXEBPILVFJV-ROUUACIJSA-N -1 1 347.842 4.340 20 10 EICDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CCCCCC1 ZINC000765754276 1053925991 /nfs/dbraw/zinc/92/59/91/1053925991.db2.gz UKUBRCGHZMVKLE-UHFFFAOYSA-N -1 1 340.261 4.131 20 10 EICDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])CC(C)(C)C ZINC000765757668 1054199574 /nfs/dbraw/zinc/19/95/74/1054199574.db2.gz SMMWEXWECSYWSA-LLVKDONJSA-N -1 1 342.277 4.233 20 10 EICDMM O=C(CCCCC(=O)c1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890760170 1020418768 /nfs/dbraw/zinc/41/87/68/1020418768.db2.gz KPFHDEOHXNONFY-UHFFFAOYSA-N -1 1 345.826 4.105 20 10 EICDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(C2CC2)oc1C1CC1 ZINC000890762433 1020437544 /nfs/dbraw/zinc/43/75/44/1020437544.db2.gz CKAFCRUNYQJXCZ-UHFFFAOYSA-N -1 1 331.799 4.323 20 10 EICDMM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000274189248 1022514241 /nfs/dbraw/zinc/51/42/41/1022514241.db2.gz JUGOWDCGFAJXKJ-NKWVEPMBSA-N -1 1 332.256 4.271 20 10 EICDMM C[C@H](NCc1cccc(Cl)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000191531403 1030638901 /nfs/dbraw/zinc/63/89/01/1030638901.db2.gz CSYFVDUPQKKIQG-JTQLQIEISA-N -1 1 347.777 4.086 20 10 EICDMM CC[C@H](C)NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000280667741 1035318147 /nfs/dbraw/zinc/31/81/47/1035318147.db2.gz LSXFEDPCTOWPBT-LBPRGKRZSA-N -1 1 332.831 4.186 20 10 EICDMM Cc1cc(N(C)C)ccc1NCc1cccc(Br)c1[O-] ZINC000058624879 1037898163 /nfs/dbraw/zinc/89/81/63/1037898163.db2.gz CPFDJJRJQQGKSK-UHFFFAOYSA-N -1 1 335.245 4.141 20 10 EICDMM CC(=O)Nc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1Cl ZINC000790956160 1045637062 /nfs/dbraw/zinc/63/70/62/1045637062.db2.gz OYRCNRJGAMEMQT-UHFFFAOYSA-N -1 1 343.185 4.409 20 10 EICDMM Cn1cccc1[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769537196 1046014407 /nfs/dbraw/zinc/01/44/07/1046014407.db2.gz IQWJHNKDPDKJLH-OAHLLOKOSA-N -1 1 349.818 4.020 20 10 EICDMM O=C(CSc1c(Cl)cccc1Cl)c1ccc([O-])c(O)c1 ZINC000916616625 1046116102 /nfs/dbraw/zinc/11/61/02/1046116102.db2.gz HIGOSMHKHOKCKZ-UHFFFAOYSA-N -1 1 329.204 4.380 20 10 EICDMM CC[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cccc(Cl)c1[O-] ZINC000806154315 1047180904 /nfs/dbraw/zinc/18/09/04/1047180904.db2.gz DZTZCNYZVJMCFA-QGZVFWFLSA-N -1 1 342.830 4.249 20 10 EICDMM CC[C@@H](NCc1nnc(C)s1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157277 1047183440 /nfs/dbraw/zinc/18/34/40/1047183440.db2.gz DAUPVFZMHPHESK-LLVKDONJSA-N -1 1 332.256 4.100 20 10 EICDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1Cl ZINC000789977680 1047497141 /nfs/dbraw/zinc/49/71/41/1047497141.db2.gz XDFKMDOPUDPAIH-ZETCQYMHSA-N -1 1 344.169 4.035 20 10 EICDMM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815626586 1048548140 /nfs/dbraw/zinc/54/81/40/1048548140.db2.gz HROKASYIGDDGCK-JVXZTZIISA-N -1 1 327.268 4.403 20 10 EICDMM CCc1nnc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000810260588 1048712578 /nfs/dbraw/zinc/71/25/78/1048712578.db2.gz MMGNQFHDUGDGNO-SNVBAGLBSA-N -1 1 346.283 4.354 20 10 EICDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(Cn2cccn2)c1 ZINC000816479979 1048810309 /nfs/dbraw/zinc/81/03/09/1048810309.db2.gz ZXIWXJNBOMVMOQ-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM COc1cc(C)c(NCc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816522198 1048827753 /nfs/dbraw/zinc/82/77/53/1048827753.db2.gz OKEOFGUOHXNYFO-UHFFFAOYSA-N -1 1 325.767 4.122 20 10 EICDMM CO[C@@H]1CCOc2c(NCc3cc(Cl)c(F)cc3[O-])cccc21 ZINC000816595059 1048840790 /nfs/dbraw/zinc/84/07/90/1048840790.db2.gz XZAVVGHRJLIFDG-MRXNPFEDSA-N -1 1 337.778 4.267 20 10 EICDMM Cc1cc2cc(C(=O)NCc3cccc(Cl)c3[O-])oc2cc1C ZINC001180410401 1050991629 /nfs/dbraw/zinc/99/16/29/1050991629.db2.gz PGGZSVSKJXBVPL-UHFFFAOYSA-N -1 1 329.783 4.339 20 10 EICDMM C[C@H]1CCc2sc(C(=O)NCc3cccc(Cl)c3[O-])cc2C1 ZINC001180409830 1050992210 /nfs/dbraw/zinc/99/22/10/1050992210.db2.gz FVYDPJNCFCNCIN-JTQLQIEISA-N -1 1 335.856 4.162 20 10 EICDMM CC1(C)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC001180411374 1050994760 /nfs/dbraw/zinc/99/47/60/1050994760.db2.gz XSCFGOOYWREQDP-AWEZNQCLSA-N -1 1 345.826 4.007 20 10 EICDMM CCc1ccc2occ(C(=O)NCc3cccc(Cl)c3[O-])c2c1 ZINC001180410513 1050996566 /nfs/dbraw/zinc/99/65/66/1050996566.db2.gz QZHURQWXQZJQQT-UHFFFAOYSA-N -1 1 329.783 4.284 20 10 EICDMM [O-]c1c(F)c(F)ccc1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC001181464818 1051233660 /nfs/dbraw/zinc/23/36/60/1051233660.db2.gz QIUDVBJOYAPLIJ-UHFFFAOYSA-N -1 1 333.353 4.489 20 10 EICDMM COc1nccc2c(NCc3c([O-])ccc(Cl)c3F)cccc21 ZINC000864013783 1053142019 /nfs/dbraw/zinc/14/20/19/1053142019.db2.gz DXDSGHAECPMRFE-UHFFFAOYSA-N -1 1 332.762 4.354 20 10 EICDMM CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499663 1053261125 /nfs/dbraw/zinc/26/11/25/1053261125.db2.gz UIRRNOPTAMUJBP-ZHAHWJHGSA-N -1 1 341.242 4.037 20 10 EICDMM C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1cscn1 ZINC000850512144 1053268041 /nfs/dbraw/zinc/26/80/41/1053268041.db2.gz WRGOFCCZPYOGFE-JGVFFNPUSA-N -1 1 345.237 4.162 20 10 EICDMM CCc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765218211 1053469495 /nfs/dbraw/zinc/46/94/95/1053469495.db2.gz NPGJXDXPASGGCO-UHFFFAOYSA-N -1 1 349.228 4.039 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2ccncc2)c1[O-] ZINC000854044248 1053746811 /nfs/dbraw/zinc/74/68/11/1053746811.db2.gz ZGDAGEAJOXDEJD-GOSISDBHSA-N -1 1 344.842 4.226 20 10 EICDMM Cc1cc(OC(C)C)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001198523642 1054173993 /nfs/dbraw/zinc/17/39/93/1054173993.db2.gz HXDNDOZJNDMBLY-UHFFFAOYSA-N -1 1 348.830 4.463 20 10 EICDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2c3ccccc3sc21 ZINC000877856157 1055140044 /nfs/dbraw/zinc/14/00/44/1055140044.db2.gz ZMJHJGCTPMSEFZ-HNNXBMFYSA-N -1 1 348.786 4.254 20 10 EICDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1cccc(C)c1 ZINC000743417631 1058995093 /nfs/dbraw/zinc/99/50/93/1058995093.db2.gz YYLRPLGYXAZXOD-UHFFFAOYSA-N -1 1 338.382 4.500 20 10 EICDMM O=C(CSc1cc(Cl)ccc1Cl)c1ccc([O-])c(O)c1 ZINC000034980060 1028275418 /nfs/dbraw/zinc/27/54/18/1028275418.db2.gz ZJHVBYBAYKNRDU-UHFFFAOYSA-N -1 1 329.204 4.380 20 10 EICDMM CCN1C(=O)CCc2cc(N[C@@H](C)c3cc(F)cc(F)c3[O-])ccc21 ZINC000760887090 1037556284 /nfs/dbraw/zinc/55/62/84/1037556284.db2.gz LNHLLDKNNYODKN-NSHDSACASA-N -1 1 346.377 4.143 20 10 EICDMM O=C1N[C@H](c2cccc(Cl)c2[O-])Nc2c3ccccc3sc21 ZINC000172860120 1038354372 /nfs/dbraw/zinc/35/43/72/1038354372.db2.gz HBFFNNSSCDNWMC-OAHLLOKOSA-N -1 1 330.796 4.114 20 10 EICDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc([O-])c(F)c1 ZINC000768171399 1045737485 /nfs/dbraw/zinc/73/74/85/1045737485.db2.gz BQPMXVFOACCPRE-UHFFFAOYSA-N -1 1 328.387 4.164 20 10 EICDMM CCNC(=O)Nc1cccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1C ZINC000788609149 1047230170 /nfs/dbraw/zinc/23/01/70/1047230170.db2.gz BWRWBLAMLYVUPL-NSHDSACASA-N -1 1 349.381 4.293 20 10 EICDMM CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1Cl ZINC000816522828 1048830062 /nfs/dbraw/zinc/83/00/62/1048830062.db2.gz PVPHESQOLXHWFN-UHFFFAOYSA-N -1 1 343.185 4.409 20 10 EICDMM CCn1cnnc1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525534 1048830708 /nfs/dbraw/zinc/83/07/08/1048830708.db2.gz XPXXTBNPQFUBIZ-UHFFFAOYSA-N -1 1 346.793 4.075 20 10 EICDMM O=C1/C(=C/c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccccc1 ZINC000921259286 1048895026 /nfs/dbraw/zinc/89/50/26/1048895026.db2.gz MALORNFERSVAAV-ZROIWOOFSA-N -1 1 347.848 4.451 20 10 EICDMM O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001159033130 1049835109 /nfs/dbraw/zinc/83/51/09/1049835109.db2.gz BYPCCZJDLFIYHK-UHFFFAOYSA-N -1 1 344.625 4.211 20 10 EICDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001236793735 1050251559 /nfs/dbraw/zinc/25/15/59/1050251559.db2.gz OIXSLRZFNHBUJU-GFCCVEGCSA-N -1 1 328.161 4.268 20 10 EICDMM CC(C)[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccc(F)cc1 ZINC001193236677 1051888808 /nfs/dbraw/zinc/88/88/08/1051888808.db2.gz MPVFSVAHHCUAJM-OAHLLOKOSA-N -1 1 337.778 4.017 20 10 EICDMM CC(C)N(C(=O)c1ccc(O)c([O-])c1Cl)[C@@H](C)c1ccccc1 ZINC001193233436 1051888922 /nfs/dbraw/zinc/88/89/22/1051888922.db2.gz YUXJQYXFUPULRV-LBPRGKRZSA-N -1 1 333.815 4.363 20 10 EICDMM CC[C@@H](C)C1CCC(NC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193246980 1051890721 /nfs/dbraw/zinc/89/07/21/1051890721.db2.gz GHUGPMMSWSWMGC-VOMCLLRMSA-N -1 1 325.836 4.086 20 10 EICDMM CC[C@H](C)C1CCC(NC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193246979 1051890844 /nfs/dbraw/zinc/89/08/44/1051890844.db2.gz GHUGPMMSWSWMGC-UNXYVOJBSA-N -1 1 325.836 4.086 20 10 EICDMM O=C(Nc1cccc2c(Cl)ccnc12)c1ccc(O)c([O-])c1Cl ZINC001193229748 1051894079 /nfs/dbraw/zinc/89/40/79/1051894079.db2.gz LZXVLIRHYMUFQX-UHFFFAOYSA-N -1 1 349.173 4.205 20 10 EICDMM CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000850498797 1053260695 /nfs/dbraw/zinc/26/06/95/1053260695.db2.gz DHRACFNCLPKLHA-HJIKLVIJSA-N -1 1 341.242 4.037 20 10 EICDMM CN(Cc1ccc(Br)o1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648190 1053341442 /nfs/dbraw/zinc/34/14/42/1053341442.db2.gz AGBQTPPBVVFODI-UHFFFAOYSA-N -1 1 348.599 4.172 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(C2CCSCC2)n1 ZINC000865667376 1053570360 /nfs/dbraw/zinc/57/03/60/1053570360.db2.gz FRTYSUMLJRQEMC-UHFFFAOYSA-N -1 1 341.839 4.061 20 10 EICDMM Cc1ccccc1[C@H]1CN(Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775715471 1053663582 /nfs/dbraw/zinc/66/35/82/1053663582.db2.gz XQCULVTZNDQDNC-RDTXWAMCSA-N -1 1 331.843 4.316 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1[O-] ZINC000854040361 1053744627 /nfs/dbraw/zinc/74/46/27/1053744627.db2.gz QYFCGPLXCIBWKO-SFHVURJKSA-N -1 1 344.842 4.226 20 10 EICDMM CCCOc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC001198747660 1054241930 /nfs/dbraw/zinc/24/19/30/1054241930.db2.gz KPLZXWIGVCOURO-UHFFFAOYSA-N -1 1 348.830 4.465 20 10 EICDMM Cc1cc(C)n(-c2cccc(NCc3cc(F)cc(F)c3[O-])c2)n1 ZINC001201234910 1054724764 /nfs/dbraw/zinc/72/47/64/1054724764.db2.gz SFTVHOWKLNTDHW-UHFFFAOYSA-N -1 1 329.350 4.085 20 10 EICDMM C[C@@H]([N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C(C)(C)C ZINC000728195332 1019328813 /nfs/dbraw/zinc/32/88/13/1019328813.db2.gz KBHBIQGYECNRIV-CQSZACIVSA-N -1 1 341.451 4.195 20 10 EICDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1Br ZINC000708394230 1029282387 /nfs/dbraw/zinc/28/23/87/1029282387.db2.gz SVGPVAQMWIKIQW-UHFFFAOYSA-N -1 1 328.156 4.353 20 10 EICDMM O=C1[N-]C(=S)S/C1=C\c1ccc(SCc2ccccc2)cc1 ZINC000151359421 1035726480 /nfs/dbraw/zinc/72/64/80/1035726480.db2.gz COPNWGMEBFDKMV-GDNBJRDFSA-N -1 1 343.498 4.468 20 10 EICDMM O=C1CCC[C@H](c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)N1 ZINC000895894785 1044968376 /nfs/dbraw/zinc/96/83/76/1044968376.db2.gz QEYACGLWIOFCJI-MRXNPFEDSA-N -1 1 348.805 4.138 20 10 EICDMM Cc1nc(-c2ccc(C)c(NCc3c([O-])ccc(Cl)c3F)c2)n[nH]1 ZINC000790984007 1045670922 /nfs/dbraw/zinc/67/09/22/1045670922.db2.gz ZFYVPHQGICNXQC-UHFFFAOYSA-N -1 1 346.793 4.199 20 10 EICDMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266580 1045774111 /nfs/dbraw/zinc/77/41/11/1045774111.db2.gz VIOOZNDZPCVUSS-AWEZNQCLSA-N -1 1 341.169 4.034 20 10 EICDMM Cc1c(C)c(OCC(C)C)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320448 1045996471 /nfs/dbraw/zinc/99/64/71/1045996471.db2.gz ATTBMMACBDESLY-UHFFFAOYSA-N -1 1 343.423 4.044 20 10 EICDMM CC[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(Cl)c1[O-] ZINC000806156622 1047180863 /nfs/dbraw/zinc/18/08/63/1047180863.db2.gz GQFYQGBTECBCOC-OAHLLOKOSA-N -1 1 332.831 4.437 20 10 EICDMM CC[C@H](Nc1cc(C)cc(OCCO)c1)c1cccc(Cl)c1[O-] ZINC000806164105 1047186149 /nfs/dbraw/zinc/18/61/49/1047186149.db2.gz ZDHKNJCZUDSDJL-KRWDZBQOSA-N -1 1 335.831 4.288 20 10 EICDMM Cc1ccc(-n2cccn2)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000789595298 1047445771 /nfs/dbraw/zinc/44/57/71/1047445771.db2.gz AIUAPPSXEBZSDI-UHFFFAOYSA-N -1 1 331.778 4.291 20 10 EICDMM CCC(=O)N1CCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000897766584 1047477974 /nfs/dbraw/zinc/47/79/74/1047477974.db2.gz HYGGFYDEXDZJMJ-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM CO[C@@H]1CCOc2c(N[C@@H](C)c3cc(F)cc(F)c3[O-])cccc21 ZINC000790498150 1047598969 /nfs/dbraw/zinc/59/89/69/1047598969.db2.gz ATMVDXVGUSWCFD-MGPLVRAMSA-N -1 1 335.350 4.314 20 10 EICDMM [O-]c1cccc(Cl)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775551 1048506377 /nfs/dbraw/zinc/50/63/77/1048506377.db2.gz DGORLOWIPTXJPB-UHFFFAOYSA-N -1 1 332.614 4.348 20 10 EICDMM O=C(NC1CCCC1)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000845989293 1048774689 /nfs/dbraw/zinc/77/46/89/1048774689.db2.gz GWXGOWBGQRDKSB-UHFFFAOYSA-N -1 1 344.842 4.330 20 10 EICDMM CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811510408 1049125463 /nfs/dbraw/zinc/12/54/63/1049125463.db2.gz FVGUENLLXDEWPU-HIFRSBDPSA-N -1 1 330.255 4.088 20 10 EICDMM Cc1noc(C2CC2)c1NCc1cc(Br)cc(F)c1[O-] ZINC001179589010 1050727533 /nfs/dbraw/zinc/72/75/33/1050727533.db2.gz TXCQOMRIZHUJBV-UHFFFAOYSA-N -1 1 341.180 4.080 20 10 EICDMM Cc1cccc(C2(C(=O)NCc3cccc(Cl)c3[O-])CCCC2)c1 ZINC001180411378 1050995883 /nfs/dbraw/zinc/99/58/83/1050995883.db2.gz XTQBWTOQYCMMAC-UHFFFAOYSA-N -1 1 343.854 4.482 20 10 EICDMM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc(C2CC2)cc1 ZINC001190500398 1051196388 /nfs/dbraw/zinc/19/63/88/1051196388.db2.gz MVNSICJYXFHWLD-UHFFFAOYSA-N -1 1 339.416 4.224 20 10 EICDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001203574214 1051879893 /nfs/dbraw/zinc/87/98/93/1051879893.db2.gz PZHQOLBNMUKCNJ-GFCCVEGCSA-N -1 1 346.151 4.423 20 10 EICDMM CC(C)C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193236539 1051889141 /nfs/dbraw/zinc/88/91/41/1051889141.db2.gz HBTDNVLBXCPZKI-AWEZNQCLSA-N -1 1 333.815 4.268 20 10 EICDMM C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001193236527 1051889245 /nfs/dbraw/zinc/88/92/45/1051889245.db2.gz GSNHQAFMPNCCAX-BHWZJQCCSA-N -1 1 349.858 4.086 20 10 EICDMM Cc1cc([C@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)ccc1Cl ZINC001193247354 1051890392 /nfs/dbraw/zinc/89/03/92/1051890392.db2.gz VTOSRFAGLRYYNO-VIFPVBQESA-N -1 1 340.206 4.204 20 10 EICDMM Cc1ccccc1[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775715469 1053664040 /nfs/dbraw/zinc/66/40/40/1053664040.db2.gz XQCULVTZNDQDNC-KSSFIOAISA-N -1 1 331.843 4.316 20 10 EICDMM C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866417351 1053721191 /nfs/dbraw/zinc/72/11/91/1053721191.db2.gz ODNJAGMSZGOBGX-GLEZIHRCSA-N -1 1 347.283 4.439 20 10 EICDMM Cc1ccc(NC(=O)C2CC2)cc1NCc1cccc(Cl)c1[O-] ZINC000775748410 1053784145 /nfs/dbraw/zinc/78/41/45/1053784145.db2.gz YQCIATFCYTVTJM-UHFFFAOYSA-N -1 1 330.815 4.315 20 10 EICDMM COc1cc(Br)cc(NCc2cccc(Cl)c2[O-])c1 ZINC000124636374 1054585405 /nfs/dbraw/zinc/58/54/05/1054585405.db2.gz CULZARYVZYLDND-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM Cc1nnc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000274189244 1022512516 /nfs/dbraw/zinc/51/25/16/1022512516.db2.gz JUGOWDCGFAJXKJ-BQBZGAKWSA-N -1 1 332.256 4.271 20 10 EICDMM COc1ccc(NCc2cccc(Br)c2[O-])cc1Cl ZINC000048794600 1026396373 /nfs/dbraw/zinc/39/63/73/1026396373.db2.gz ATMFSXHEEPMNJO-UHFFFAOYSA-N -1 1 342.620 4.429 20 10 EICDMM [O-]c1c(Cl)cc(Br)cc1Nc1ccncc1Cl ZINC001212161783 1036920249 /nfs/dbraw/zinc/92/02/49/1036920249.db2.gz CGWYXHANOTVVRC-UHFFFAOYSA-N -1 1 334.000 4.022 20 10 EICDMM CCC(CC)c1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000273615732 1037527814 /nfs/dbraw/zinc/52/78/14/1037527814.db2.gz XGFAWACNXQTDQS-LLVKDONJSA-N -1 1 333.388 4.043 20 10 EICDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(Cc2ccccc2)n1 ZINC000790977256 1045664685 /nfs/dbraw/zinc/66/46/85/1045664685.db2.gz TXIYXAOHSQZSPZ-UHFFFAOYSA-N -1 1 331.778 4.042 20 10 EICDMM CC[C@H](Nc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1[O-] ZINC000806151339 1047177927 /nfs/dbraw/zinc/17/79/27/1047177927.db2.gz DZONIVMPZPWJTP-SFHVURJKSA-N -1 1 346.858 4.445 20 10 EICDMM CCC(=O)N1CCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000897767975 1047477908 /nfs/dbraw/zinc/47/79/08/1047477908.db2.gz RUMPEZCZTOJTCA-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM CCC(=O)N1CCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000897766399 1047478646 /nfs/dbraw/zinc/47/86/46/1047478646.db2.gz GXTNZPBBMWJLCT-UHFFFAOYSA-N -1 1 348.805 4.096 20 10 EICDMM COc1cc(OC)c(NCc2cc(Cl)c(F)cc2[O-])cc1Cl ZINC000816522342 1048828980 /nfs/dbraw/zinc/82/89/80/1048828980.db2.gz VHWWPFYGEYVCHX-UHFFFAOYSA-N -1 1 346.185 4.467 20 10 EICDMM Cc1ccc(-c2nnc(NCc3c([O-])ccc(Cl)c3F)o2)c(C)c1 ZINC000811838728 1049286437 /nfs/dbraw/zinc/28/64/37/1049286437.db2.gz AFOABDUAHHMWRX-UHFFFAOYSA-N -1 1 347.777 4.464 20 10 EICDMM [O-]c1c(F)cc(Cl)cc1CNCc1csc(-c2ccco2)n1 ZINC001178000086 1050351467 /nfs/dbraw/zinc/35/14/67/1050351467.db2.gz VNBITHFSQFVXRJ-UHFFFAOYSA-N -1 1 338.791 4.191 20 10 EICDMM [O-]c1c(F)cc(F)cc1CNc1ccc(Nc2ccccc2)cn1 ZINC001179205184 1050649425 /nfs/dbraw/zinc/64/94/25/1050649425.db2.gz LDTKNGNMDAPVON-UHFFFAOYSA-N -1 1 327.334 4.421 20 10 EICDMM CC1(C)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC001180411375 1050995725 /nfs/dbraw/zinc/99/57/25/1050995725.db2.gz XSCFGOOYWREQDP-CQSZACIVSA-N -1 1 345.826 4.007 20 10 EICDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H]2c2cccc(F)c2)c1[O-] ZINC001191400206 1051441379 /nfs/dbraw/zinc/44/13/79/1051441379.db2.gz OTEPHSQOVDEGDX-KRWDZBQOSA-N -1 1 333.790 4.334 20 10 EICDMM CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193230572 1051894192 /nfs/dbraw/zinc/89/41/92/1051894192.db2.gz VZKQZNISGKVKOW-UHFFFAOYSA-N -1 1 335.787 4.007 20 10 EICDMM O=S(=O)(/C=C/c1ccccc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000776748684 1053828644 /nfs/dbraw/zinc/82/86/44/1053828644.db2.gz CGPZJQQUNUYHAC-BQYQJAHWSA-N -1 1 344.219 4.112 20 10 EICDMM