smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NCc1cc(Cl)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000237461063 1032229917 /nfs/dbraw/zinc/22/99/17/1032229917.db2.gz GANZMLCCBSAZNN-SNVBAGLBSA-N -1 3 347.777 4.086 20 10 EICDHM C[C@H](NCc1cccc(Cl)c1[O-])c1nccn1-c1ccccc1 ZINC000377867659 1022065145 /nfs/dbraw/zinc/06/51/45/1022065145.db2.gz AKZOEQFQKPKLQZ-ZDUSSCGKSA-N -1 3 327.815 4.082 20 10 EICDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1nccn1-c1ccccc1 ZINC000377411226 1023521581 /nfs/dbraw/zinc/52/15/81/1023521581.db2.gz ZFEKYRVXLKOTSP-LBPRGKRZSA-N -1 3 345.805 4.221 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(Cl)ccc2OC)c1 ZINC000756870329 1025228076 /nfs/dbraw/zinc/22/80/76/1025228076.db2.gz JSELYUDVMDPSEZ-SNVBAGLBSA-N -1 3 335.787 4.014 20 10 EICDHM COC[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000279407876 1026414036 /nfs/dbraw/zinc/41/40/36/1026414036.db2.gz DNIRSJHDHQXLJC-BMIGLBTASA-N -1 3 341.785 4.362 20 10 EICDHM Cc1cc([O-])c(CN[C@@H]2CCCc3cn(C(C)C)nc32)c(Cl)c1 ZINC000840939363 1027794880 /nfs/dbraw/zinc/79/48/80/1027794880.db2.gz LSXQGNMTQKZXSL-MRXNPFEDSA-N -1 3 333.863 4.299 20 10 EICDHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278160504 1028341144 /nfs/dbraw/zinc/34/11/44/1028341144.db2.gz AWSHSAREKOXCGT-IUCAKERBSA-N -1 3 343.258 4.352 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(SC)c2)c1 ZINC000840773074 1029225582 /nfs/dbraw/zinc/22/55/82/1029225582.db2.gz DUCGGXQBKJWKIL-LLVKDONJSA-N -1 3 347.436 4.082 20 10 EICDHM CCN(CC)C(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000278556183 1029490222 /nfs/dbraw/zinc/49/02/22/1029490222.db2.gz AKUOLZHEHQDQNJ-UHFFFAOYSA-N -1 3 332.831 4.140 20 10 EICDHM C[C@H](NCc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1[O-] ZINC000186105080 1030249804 /nfs/dbraw/zinc/24/98/04/1030249804.db2.gz IMAXGGIUDJSEHZ-NSHDSACASA-N -1 3 345.855 4.415 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])ccc1Br ZINC000168911615 1035791107 /nfs/dbraw/zinc/79/11/07/1035791107.db2.gz PCUCEEBYURNOOK-SECBINFHSA-N -1 3 340.192 4.476 20 10 EICDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1nc(C2CCCCC2)no1 ZINC000173866076 1038745518 /nfs/dbraw/zinc/74/55/18/1038745518.db2.gz SMWVIKBACMXJLE-NSHDSACASA-N -1 3 335.835 4.327 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1COc2c1cccc2Cl ZINC000790977223 1045661880 /nfs/dbraw/zinc/66/18/80/1045661880.db2.gz QJBMVDFQOSZGSQ-LBPRGKRZSA-N -1 3 328.170 4.061 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768531177 1045815104 /nfs/dbraw/zinc/81/51/04/1045815104.db2.gz VBWHLLFKUGLGBT-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000769867063 1046086449 /nfs/dbraw/zinc/08/64/49/1046086449.db2.gz XAUPMIPLCAKZMY-JTQLQIEISA-N -1 3 335.753 4.023 20 10 EICDHM CCNC(=O)Nc1ccc(C)c(NCc2c([O-])cccc2Cl)c1 ZINC000785556341 1046708924 /nfs/dbraw/zinc/70/89/24/1046708924.db2.gz ZTOYTMCPPSAHSA-UHFFFAOYSA-N -1 3 333.819 4.108 20 10 EICDHM Cc1cc(C(=O)N2CCCC2)ccc1NCc1c([O-])cccc1Cl ZINC000789891811 1047486035 /nfs/dbraw/zinc/48/60/35/1047486035.db2.gz WTGAZXIDBKAEJN-UHFFFAOYSA-N -1 3 344.842 4.202 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN1CCC2(CCc3ccccc3O2)CC1 ZINC001142527278 1047528272 /nfs/dbraw/zinc/52/82/72/1047528272.db2.gz RBZAKCDVHIOBLK-UHFFFAOYSA-N -1 3 345.389 4.030 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001171061769 1047895418 /nfs/dbraw/zinc/89/54/18/1047895418.db2.gz UBOUZBGYMKGOPJ-MRXNPFEDSA-N -1 3 345.398 4.280 20 10 EICDHM Cc1cc(Br)c([O-])c(CN(Cc2ccccn2)C2CC2)c1 ZINC000809764723 1048524455 /nfs/dbraw/zinc/52/44/55/1048524455.db2.gz YTPPKGHZOCRNLO-UHFFFAOYSA-N -1 3 347.256 4.023 20 10 EICDHM C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1F ZINC000846017745 1048788844 /nfs/dbraw/zinc/78/88/44/1048788844.db2.gz PPNFSTIOWARYTR-PSLIRLAXSA-N -1 3 344.213 4.050 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000816483522 1048812516 /nfs/dbraw/zinc/81/25/16/1048812516.db2.gz VLDDPCKGHBJTES-UHFFFAOYSA-N -1 3 333.790 4.180 20 10 EICDHM O=C(c1ccccc1)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483045 1048813231 /nfs/dbraw/zinc/81/32/31/1048813231.db2.gz CIIRBQDZNJRUIK-UHFFFAOYSA-N -1 3 347.817 4.280 20 10 EICDHM CC(C)CCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816493495 1048814888 /nfs/dbraw/zinc/81/48/88/1048814888.db2.gz DMCPCIISMDKBFW-UHFFFAOYSA-N -1 3 329.843 4.212 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC2CCCCC2)CC1 ZINC000816499695 1048820700 /nfs/dbraw/zinc/82/07/00/1048820700.db2.gz YCCNDAYGASHRRZ-UHFFFAOYSA-N -1 3 341.854 4.498 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc(Cl)cc2c1OCC2 ZINC000816569386 1048837267 /nfs/dbraw/zinc/83/72/67/1048837267.db2.gz JOTZWCDIAAIEAJ-UHFFFAOYSA-N -1 3 342.197 4.063 20 10 EICDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565974 1048837679 /nfs/dbraw/zinc/83/76/79/1048837679.db2.gz HVMKAUVKHWIJJD-WCBMZHEXSA-N -1 3 325.733 4.348 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc(F)c(Cl)cc1F ZINC000816593685 1048840528 /nfs/dbraw/zinc/84/05/28/1048840528.db2.gz AJBXCXJCQLYXIB-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM COc1ccc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148218717 1049279720 /nfs/dbraw/zinc/27/97/20/1049279720.db2.gz ILJCKWPEJVMRIQ-UHFFFAOYSA-N -1 3 335.359 4.026 20 10 EICDHM O=C(c1cccc(O)c1[O-])N(Cc1ccsc1)c1ccccc1 ZINC001136539502 1049732421 /nfs/dbraw/zinc/73/24/21/1049732421.db2.gz BYYOOTOWDQBUBP-UHFFFAOYSA-N -1 3 325.389 4.006 20 10 EICDHM CCc1ccc(CC)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774936635 1050172910 /nfs/dbraw/zinc/17/29/10/1050172910.db2.gz BMLZJNXKZOWEPX-UHFFFAOYSA-N -1 3 330.384 4.046 20 10 EICDHM [O-]c1ccc(Cl)cc1CN(Cc1cccnc1)Cc1cccnc1 ZINC001203658315 1050518580 /nfs/dbraw/zinc/51/85/80/1050518580.db2.gz RQUYGVVAXWQRAG-UHFFFAOYSA-N -1 3 339.826 4.038 20 10 EICDHM CC1(C)C[C@@H](NCc2cc(F)cc(F)c2[O-])c2cc(F)ccc2O1 ZINC001179085870 1050629598 /nfs/dbraw/zinc/62/95/98/1050629598.db2.gz HVXKDIMYQSTTFD-OAHLLOKOSA-N -1 3 337.341 4.202 20 10 EICDHM [O-]c1c(Br)cccc1CNCc1cscc1Cl ZINC000775153085 1050650662 /nfs/dbraw/zinc/65/06/62/1050650662.db2.gz RBHZBMVEMPCHHC-UHFFFAOYSA-N -1 3 332.650 4.159 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCSC2(CCCCC2)C1 ZINC001180058499 1050871159 /nfs/dbraw/zinc/87/11/59/1050871159.db2.gz SLNWCPJBUCMOJL-UHFFFAOYSA-N -1 3 329.868 4.436 20 10 EICDHM Cc1cc([O-])c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077236 1050875606 /nfs/dbraw/zinc/87/56/06/1050875606.db2.gz OCNPRRCWLXYCCY-YVEFUNNKSA-N -1 3 337.872 4.378 20 10 EICDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccco1)Cc1ccc(O)cc1 ZINC001180208964 1050916690 /nfs/dbraw/zinc/91/66/90/1050916690.db2.gz ULEJZUWHUXXCMU-UHFFFAOYSA-N -1 3 345.345 4.171 20 10 EICDHM CCN(Cc1ccc(N(C)C)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001180479752 1051000577 /nfs/dbraw/zinc/00/05/77/1051000577.db2.gz RSXPZFXOYXROLX-UHFFFAOYSA-N -1 3 336.838 4.273 20 10 EICDHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291175 1051040215 /nfs/dbraw/zinc/04/02/15/1051040215.db2.gz CQBLMJFXHIJGGP-UHFFFAOYSA-N -1 3 333.453 4.071 20 10 EICDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001191249441 1051394672 /nfs/dbraw/zinc/39/46/72/1051394672.db2.gz VDNJCVXIWLTHLR-UHFFFAOYSA-N -1 3 333.453 4.152 20 10 EICDHM CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000775542798 1051793977 /nfs/dbraw/zinc/79/39/77/1051793977.db2.gz SWQVTMWUKDSULE-OAHLLOKOSA-N -1 3 342.830 4.072 20 10 EICDHM C[C@H](Nc1cccc(-n2nccn2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000864023610 1053160013 /nfs/dbraw/zinc/16/00/13/1053160013.db2.gz SFMIJRRAZRTZGI-JTQLQIEISA-N -1 3 349.221 4.453 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC2CCCC2)CC1 ZINC000775668498 1053459655 /nfs/dbraw/zinc/45/96/55/1053459655.db2.gz BZKADJYSVURELG-UHFFFAOYSA-N -1 3 327.827 4.108 20 10 EICDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000775674465 1053502208 /nfs/dbraw/zinc/50/22/08/1053502208.db2.gz CXVLZTVZXDHXRW-INIZCTEOSA-N -1 3 345.826 4.154 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cccc2ccccc21 ZINC000776634593 1053625055 /nfs/dbraw/zinc/62/50/55/1053625055.db2.gz AGFVDBTXKLPPDJ-SFHVURJKSA-N -1 3 333.387 4.228 20 10 EICDHM C[C@@H](NCc1ccc(OC(F)F)cc1F)c1cc(F)cc(F)c1[O-] ZINC000866541682 1053776513 /nfs/dbraw/zinc/77/65/13/1053776513.db2.gz QXNDJFADJCYEPH-MRVPVSSYSA-N -1 3 347.283 4.262 20 10 EICDHM CC(C)C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(=O)[O-] ZINC000854243962 1053787973 /nfs/dbraw/zinc/78/79/73/1053787973.db2.gz JJPFTUQYUGJHSJ-INIZCTEOSA-N -1 3 341.451 4.286 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CCC[C@](F)(c3ccccc3)C2)c1[O-] ZINC001197078182 1053833855 /nfs/dbraw/zinc/83/38/55/1053833855.db2.gz SFWGIXIUERSJSX-HXUWFJFHSA-N -1 3 345.389 4.195 20 10 EICDHM COCCOc1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC001199648746 1054437675 /nfs/dbraw/zinc/43/76/75/1054437675.db2.gz NECVPSOBNCINHS-UHFFFAOYSA-N -1 3 342.222 4.336 20 10 EICDHM CC(=O)c1cc(F)cc(CNC2(c3c(F)cccc3F)CCC2)c1[O-] ZINC000860201639 1054787050 /nfs/dbraw/zinc/78/70/50/1054787050.db2.gz KVPWLTYIFVFJJR-UHFFFAOYSA-N -1 3 349.352 4.181 20 10 EICDHM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000186316403 1055350520 /nfs/dbraw/zinc/35/05/20/1055350520.db2.gz JUKBYCRDJANPIO-CXAGYDPISA-N -1 3 331.387 4.262 20 10 EICDHM C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1[O-] ZINC000186317140 1055353254 /nfs/dbraw/zinc/35/32/54/1055353254.db2.gz OXZVBLDFMITHHR-DYVFJYSZSA-N -1 3 331.387 4.262 20 10 EICDHM CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814218 1055481873 /nfs/dbraw/zinc/48/18/73/1055481873.db2.gz COTYSSQKZCBCDI-MEDUHNTESA-N -1 3 335.398 4.176 20 10 EICDHM C[C@H](NCc1cn2ccccc2n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756363471 1022408984 /nfs/dbraw/zinc/40/89/84/1022408984.db2.gz OMYGVLRUUCOVFY-JTQLQIEISA-N -1 3 336.222 4.198 20 10 EICDHM C[C@@H](NCc1c([O-])cccc1Cl)c1nccn1-c1ccccc1 ZINC000377395458 1023507850 /nfs/dbraw/zinc/50/78/50/1023507850.db2.gz CCCCRSJAUJREKY-CYBMUJFWSA-N -1 3 327.815 4.082 20 10 EICDHM C[C@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1[O-] ZINC000320518370 1029218339 /nfs/dbraw/zinc/21/83/39/1029218339.db2.gz GEZZJMFURBHJTP-VIFPVBQESA-N -1 3 330.281 4.041 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])cc(OC)c1Cl ZINC000840812772 1029410897 /nfs/dbraw/zinc/41/08/97/1029410897.db2.gz FZIVYZIVOGDYPV-VIFPVBQESA-N -1 3 325.767 4.375 20 10 EICDHM CCNC(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1C ZINC000278684616 1029687053 /nfs/dbraw/zinc/68/70/53/1029687053.db2.gz GLZDZJQAKDSDGW-LBPRGKRZSA-N -1 3 331.391 4.154 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])ccc1Br ZINC000168911522 1035793246 /nfs/dbraw/zinc/79/32/46/1035793246.db2.gz PCUCEEBYURNOOK-VIFPVBQESA-N -1 3 340.192 4.476 20 10 EICDHM COc1cc(Br)cc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000169004777 1035809719 /nfs/dbraw/zinc/80/97/19/1035809719.db2.gz BLOLZQYAYQIUKK-SECBINFHSA-N -1 3 340.192 4.476 20 10 EICDHM C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365924 1037433488 /nfs/dbraw/zinc/43/34/88/1037433488.db2.gz FBTGHVMCPOLKDH-BONVTDFDSA-N -1 3 348.786 4.128 20 10 EICDHM CO[C@H](C)c1nc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273621525 1037530122 /nfs/dbraw/zinc/53/01/22/1037530122.db2.gz ZEXXIFADJGSZBV-VHSXEESVSA-N -1 3 326.849 4.060 20 10 EICDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC(C)(C)C1 ZINC001204961767 1040272135 /nfs/dbraw/zinc/27/21/35/1040272135.db2.gz UOEJWVGNDLNOFW-JTQLQIEISA-N -1 3 330.241 4.162 20 10 EICDHM CC1(C)C[C@H](O)c2cccc(NCc3c([O-])cccc3Cl)c2O1 ZINC000922919880 1044861819 /nfs/dbraw/zinc/86/18/19/1044861819.db2.gz OCOYSTUTSIWHDM-INIZCTEOSA-N -1 3 333.815 4.252 20 10 EICDHM Cc1csc(C2(NCc3c([O-])ccc(Cl)c3F)CCC2)n1 ZINC000790954897 1045635411 /nfs/dbraw/zinc/63/54/11/1045635411.db2.gz AJAHAQBKNUUJHK-UHFFFAOYSA-N -1 3 326.824 4.119 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1OC1CCC1 ZINC000790968174 1045640270 /nfs/dbraw/zinc/64/02/70/1045640270.db2.gz QWMAVAGMIATEKJ-UHFFFAOYSA-N -1 3 335.806 4.406 20 10 EICDHM CC(C)Cn1cc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000798183785 1045711428 /nfs/dbraw/zinc/71/14/28/1045711428.db2.gz SURPTPICKPYNQT-LLVKDONJSA-N -1 3 327.350 4.437 20 10 EICDHM O=C(c1ccncc1)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212016266 1045839534 /nfs/dbraw/zinc/83/95/34/1045839534.db2.gz HGWYOMDILQYBJF-UHFFFAOYSA-N -1 3 326.302 4.040 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000769747865 1046067433 /nfs/dbraw/zinc/06/74/33/1046067433.db2.gz TZOFENBTRDFJAV-OAHLLOKOSA-N -1 3 331.799 4.119 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(CC(F)(F)F)CC1 ZINC000793620238 1046314324 /nfs/dbraw/zinc/31/43/24/1046314324.db2.gz NZBMXLMWLJVDKC-UHFFFAOYSA-N -1 3 325.733 4.349 20 10 EICDHM Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1[N+](=O)[O-] ZINC001168522909 1046715726 /nfs/dbraw/zinc/71/57/26/1046715726.db2.gz WVROOBLJWJVYAH-UHFFFAOYSA-N -1 3 343.770 4.423 20 10 EICDHM CC(C)[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000786973246 1046886572 /nfs/dbraw/zinc/88/65/72/1046886572.db2.gz HKAQDUXTQMFEIF-UFBFGSQYSA-N -1 3 340.183 4.392 20 10 EICDHM COC[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccc(C)o1 ZINC000788607742 1047244863 /nfs/dbraw/zinc/24/48/63/1047244863.db2.gz CGYKRLVOLWOJJV-BXUZGUMPSA-N -1 3 343.345 4.351 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN1CCC(c2ccc(F)cc2F)CC1 ZINC001142534481 1047556153 /nfs/dbraw/zinc/55/61/53/1047556153.db2.gz LDVWZDZXXXQJET-UHFFFAOYSA-N -1 3 339.332 4.328 20 10 EICDHM Cc1ccn2cc(CN[C@@H](C)c3cccc(C(F)(F)F)c3[O-])nc2c1 ZINC000815576690 1048518459 /nfs/dbraw/zinc/51/84/59/1048518459.db2.gz WKUUISIDLJQHQD-LBPRGKRZSA-N -1 3 349.356 4.218 20 10 EICDHM C[C@H](Nc1cnn(C)c1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617328 1048543364 /nfs/dbraw/zinc/54/33/64/1048543364.db2.gz KWQJZGMGWWJYKF-VIFPVBQESA-N -1 3 325.334 4.195 20 10 EICDHM C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1c(F)cncc1F ZINC000815625997 1048550394 /nfs/dbraw/zinc/55/03/94/1048550394.db2.gz RUTRUOUNARVPKR-DTWKUNHWSA-N -1 3 346.299 4.496 20 10 EICDHM C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815625999 1048550596 /nfs/dbraw/zinc/55/05/96/1048550596.db2.gz RUTRUOUNARVPKR-RKDXNWHRSA-N -1 3 346.299 4.496 20 10 EICDHM O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144301669 1048580816 /nfs/dbraw/zinc/58/08/16/1048580816.db2.gz TZZGDZIHEOZXCP-FRRDWIJNSA-N -1 3 344.842 4.036 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846015369 1048785074 /nfs/dbraw/zinc/78/50/74/1048785074.db2.gz MBDHKIQNPBDZIM-UHFFFAOYSA-N -1 3 341.707 4.051 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](c1ccccc1)c1cccnc1 ZINC000816546770 1048828008 /nfs/dbraw/zinc/82/80/08/1048828008.db2.gz VWQLNKYLXGQDTR-IBGZPJMESA-N -1 3 342.801 4.459 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(CC(F)(F)F)CC1 ZINC000816603160 1048842025 /nfs/dbraw/zinc/84/20/25/1048842025.db2.gz AUILFPCCDXIAPX-UHFFFAOYSA-N -1 3 325.733 4.349 20 10 EICDHM [O-]c1c(CN2Cc3cnn(-c4ccccc4)c3C2)ccc2ccccc21 ZINC000816668796 1048854057 /nfs/dbraw/zinc/85/40/57/1048854057.db2.gz YDUGTIUYFGQDMT-UHFFFAOYSA-N -1 3 341.414 4.247 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccc3ccccc3c2)CC1 ZINC001148213845 1049278635 /nfs/dbraw/zinc/27/86/35/1049278635.db2.gz KPZIKQOSJYOYNB-UHFFFAOYSA-N -1 3 347.414 4.271 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCc3ccc(C)cc3C2)c1[O-] ZINC001171815370 1049809226 /nfs/dbraw/zinc/80/92/26/1049809226.db2.gz NAJXVVWAMAIMJI-UHFFFAOYSA-N -1 3 329.827 4.115 20 10 EICDHM COC(=O)[C@H](C)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000824168839 1049904127 /nfs/dbraw/zinc/90/41/27/1049904127.db2.gz XAZOLZPHJUOLTF-GFCCVEGCSA-N -1 3 333.815 4.009 20 10 EICDHM CC[C@@H](C)Oc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774926511 1050160569 /nfs/dbraw/zinc/16/05/69/1050160569.db2.gz IOQIQMPLCRJQEM-GFCCVEGCSA-N -1 3 346.383 4.098 20 10 EICDHM COc1c([O-])c(CNc2ccc(OC(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000774939378 1050168874 /nfs/dbraw/zinc/16/88/74/1050168874.db2.gz SILFIAMEFXYHMA-UHFFFAOYSA-N -1 3 346.383 4.017 20 10 EICDHM CC(C)c1ccc(/C=C\CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412843 1050466325 /nfs/dbraw/zinc/46/63/25/1050466325.db2.gz HYIHJUPAXSDZDZ-HYXAFXHYSA-N -1 3 327.399 4.374 20 10 EICDHM Cc1ccc([C@]2(C)CN(Cc3cc(Cl)ccc3[O-])CCO2)cc1 ZINC001203664227 1050569974 /nfs/dbraw/zinc/56/99/74/1050569974.db2.gz RNUMJQOOUGIOFP-IBGZPJMESA-N -1 3 331.843 4.102 20 10 EICDHM C[C@H](c1nc2ccccc2s1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180249724 1050933868 /nfs/dbraw/zinc/93/38/68/1050933868.db2.gz YFXDNZVYSRBHNA-SNVBAGLBSA-N -1 3 334.391 4.473 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c(C)c1O ZINC000775291183 1051039189 /nfs/dbraw/zinc/03/91/89/1051039189.db2.gz DEIXQZSUMUEYRL-UHFFFAOYSA-N -1 3 333.453 4.242 20 10 EICDHM Cc1ccc(NCc2ccc(Cl)cc2[O-])cc1NC(=O)N(C)C ZINC001181134373 1051161905 /nfs/dbraw/zinc/16/19/05/1051161905.db2.gz LWVIPKSOBWHWGT-UHFFFAOYSA-N -1 3 333.819 4.060 20 10 EICDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(SC)cc2OC)c1 ZINC000774490963 1051615019 /nfs/dbraw/zinc/61/50/19/1051615019.db2.gz OBNXPBOJJINERD-NSHDSACASA-N -1 3 347.436 4.082 20 10 EICDHM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2)cc1 ZINC001192065472 1051629940 /nfs/dbraw/zinc/62/99/40/1051629940.db2.gz OMUFZDAQQVBGKH-UHFFFAOYSA-N -1 3 339.416 4.168 20 10 EICDHM CC[C@@H](NCc1csc([C@@H](C)OC)n1)c1cc(Cl)ccc1[O-] ZINC000775511434 1051658519 /nfs/dbraw/zinc/65/85/19/1051658519.db2.gz FPPHGSIVHOPUTA-QMTHXVAHSA-N -1 3 340.876 4.450 20 10 EICDHM CC[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775523758 1051701106 /nfs/dbraw/zinc/70/11/06/1051701106.db2.gz MBIXKPRKMCEUJR-HUUCEWRRSA-N -1 3 341.785 4.098 20 10 EICDHM CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774548030 1051721571 /nfs/dbraw/zinc/72/15/71/1051721571.db2.gz SPHQJRSCVFHEEQ-SFHVURJKSA-N -1 3 338.794 4.395 20 10 EICDHM [O-]c1c(Cl)cccc1CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC001182977551 1051764468 /nfs/dbraw/zinc/76/44/68/1051764468.db2.gz GMLOILZWENBECJ-INIZCTEOSA-N -1 3 339.826 4.008 20 10 EICDHM C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(Cl)cc3[O-])cc21 ZINC001183171490 1051800430 /nfs/dbraw/zinc/80/04/30/1051800430.db2.gz VEZKUINHOOTLEG-LLVKDONJSA-N -1 3 330.815 4.128 20 10 EICDHM CCn1c2ccc(F)cc2nc1NCc1cc(Cl)c(F)cc1[O-] ZINC001184462571 1052017300 /nfs/dbraw/zinc/01/73/00/1052017300.db2.gz LTGRGXBHFFNLEI-UHFFFAOYSA-N -1 3 337.757 4.306 20 10 EICDHM Cc1c(C)c(NCc2cc(Cl)c3cccnc3c2[O-])nnc1Cl ZINC001168528672 1052634020 /nfs/dbraw/zinc/63/40/20/1052634020.db2.gz YGOLELOYSBAONV-UHFFFAOYSA-N -1 3 349.221 4.266 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)CCOC3)c1 ZINC000850382075 1053157087 /nfs/dbraw/zinc/15/70/87/1053157087.db2.gz MLVOPDGPXSRJEB-UHFFFAOYSA-N -1 3 348.240 4.148 20 10 EICDHM CC[C@@H](N[C@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572732 1053328217 /nfs/dbraw/zinc/32/82/17/1053328217.db2.gz OPGKGKTVJCRVOH-BXKDBHETSA-N -1 3 328.243 4.234 20 10 EICDHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cccc(O)c1[O-] ZINC000776631487 1053620894 /nfs/dbraw/zinc/62/08/94/1053620894.db2.gz KOPHXGQOLBJDHR-UHFFFAOYSA-N -1 3 339.322 4.282 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000776668329 1053674470 /nfs/dbraw/zinc/67/44/70/1053674470.db2.gz JUPWREJPQCNSTE-CLVCIHKQSA-N -1 3 337.419 4.196 20 10 EICDHM Cc1cccc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])c1C ZINC000776665898 1053674581 /nfs/dbraw/zinc/67/45/81/1053674581.db2.gz DARMPMNSTBDCLV-QGZVFWFLSA-N -1 3 325.408 4.082 20 10 EICDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872132578 1054407683 /nfs/dbraw/zinc/40/76/83/1054407683.db2.gz GPSBUARKOPCCDL-WPRPVWTQSA-N -1 3 326.227 4.209 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCOCC2(CCCC2)C1 ZINC000776009256 1054443840 /nfs/dbraw/zinc/44/38/40/1054443840.db2.gz RPEHOBJWBISTPF-UHFFFAOYSA-N -1 3 330.255 4.092 20 10 EICDHM COCCOCc1ccc(N[C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000858548428 1054515223 /nfs/dbraw/zinc/51/52/23/1054515223.db2.gz LXICNNHHBPUDQB-ZDUSSCGKSA-N -1 3 335.831 4.382 20 10 EICDHM [O-]c1c(Cl)cccc1CNCc1cc(Br)ccc1F ZINC000124682277 1054594244 /nfs/dbraw/zinc/59/42/44/1054594244.db2.gz CLRNYHRHUMHQPX-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1O ZINC001201799858 1054908590 /nfs/dbraw/zinc/90/85/90/1054908590.db2.gz RZNIGEVEHBWIBR-UHFFFAOYSA-N -1 3 333.453 4.044 20 10 EICDHM Cc1ccccc1NC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001202188944 1055077303 /nfs/dbraw/zinc/07/73/03/1055077303.db2.gz CPSLVUCSKVPSPQ-UHFFFAOYSA-N -1 3 341.798 4.224 20 10 EICDHM [O-]c1c(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877589259 1055086136 /nfs/dbraw/zinc/08/61/36/1055086136.db2.gz KQDNQYGZKJWWEA-IBGZPJMESA-N -1 3 345.389 4.024 20 10 EICDHM [O-]c1c(Cl)cccc1CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735812 1055111488 /nfs/dbraw/zinc/11/14/88/1055111488.db2.gz ICJHLWTWQOUWEM-UHFFFAOYSA-N -1 3 347.846 4.076 20 10 EICDHM CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814219 1055481305 /nfs/dbraw/zinc/48/13/05/1055481305.db2.gz COTYSSQKZCBCDI-ZBEGNZNMSA-N -1 3 335.398 4.176 20 10 EICDHM CC[C@H](NCc1nc(C)cs1)c1cc(Br)ccc1[O-] ZINC000038090666 202098905 /nfs/dbraw/zinc/09/89/05/202098905.db2.gz ZLJCIUMCCQYYKN-LBPRGKRZSA-N -1 3 341.274 4.161 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1ccc(OCC2CCOCC2)cc1 ZINC000124765674 1023971115 /nfs/dbraw/zinc/97/11/15/1023971115.db2.gz YYGNWXLUYRCEPH-UHFFFAOYSA-N -1 3 347.842 4.463 20 10 EICDHM CC(C)(C)CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000840998547 1028453967 /nfs/dbraw/zinc/45/39/67/1028453967.db2.gz JNBQDTGBKXMDLP-GOSISDBHSA-N -1 3 341.451 4.428 20 10 EICDHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185235841 1030134995 /nfs/dbraw/zinc/13/49/95/1030134995.db2.gz CFWQIUQJOBVHJH-YVEFUNNKSA-N -1 3 328.412 4.428 20 10 EICDHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185235014 1030135386 /nfs/dbraw/zinc/13/53/86/1030135386.db2.gz HGVOSEMQPNKVAX-SJKOYZFVSA-N -1 3 328.412 4.428 20 10 EICDHM C[C@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Cl)ccc1[O-] ZINC000186060922 1030245053 /nfs/dbraw/zinc/24/50/53/1030245053.db2.gz APFKHZQSRRIYQG-ZDUSSCGKSA-N -1 3 339.826 4.353 20 10 EICDHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112741 1030253643 /nfs/dbraw/zinc/25/36/43/1030253643.db2.gz DDEOGOBMXACRMW-CHWSQXEVSA-N -1 3 342.830 4.038 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](c1ccccc1)c1ccncc1 ZINC000190879034 1030578321 /nfs/dbraw/zinc/57/83/21/1030578321.db2.gz SKZJIFKLOPHGBM-LJQANCHMSA-N -1 3 342.801 4.459 20 10 EICDHM Cc1cc(NCc2c([O-])cccc2Cl)cnc1Br ZINC000228493077 1036343176 /nfs/dbraw/zinc/34/31/76/1036343176.db2.gz YWXIJKLJLKESLP-UHFFFAOYSA-N -1 3 327.609 4.124 20 10 EICDHM Cc1nc(C(C)(C)NCc2cc3oc4ccccc4c3cc2[O-])no1 ZINC000729852047 1039943872 /nfs/dbraw/zinc/94/38/72/1039943872.db2.gz YBZQORBNNMRSFZ-UHFFFAOYSA-N -1 3 337.379 4.008 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccc2c(n1)CCCC2 ZINC000767727567 1045619466 /nfs/dbraw/zinc/61/94/66/1045619466.db2.gz LDRKALVBDQVIOX-UHFFFAOYSA-N -1 3 337.250 4.263 20 10 EICDHM COCCN(Cc1cccs1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768196522 1045750285 /nfs/dbraw/zinc/75/02/85/1045750285.db2.gz DTYJDMFIENOUPJ-UHFFFAOYSA-N -1 3 346.279 4.409 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000791582725 1045765921 /nfs/dbraw/zinc/76/59/21/1045765921.db2.gz CGKCMKHKBQYFEG-ISVAXAHUSA-N -1 3 335.753 4.021 20 10 EICDHM Cc1ccc(CN(Cc2cccc(Br)c2[O-])C2CC2)o1 ZINC000768257554 1045768503 /nfs/dbraw/zinc/76/85/03/1045768503.db2.gz MJFIZXLZGNTBDA-UHFFFAOYSA-N -1 3 336.229 4.221 20 10 EICDHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792174663 1045871792 /nfs/dbraw/zinc/87/17/92/1045871792.db2.gz YFFUGKYQDMVCGD-IUCAKERBSA-N -1 3 325.733 4.348 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC(F)(F)F)CC2)c1[O-] ZINC000792934184 1046112403 /nfs/dbraw/zinc/11/24/03/1046112403.db2.gz UFXACGXYKYJKPT-UHFFFAOYSA-N -1 3 349.780 4.413 20 10 EICDHM Cc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c([O-])c1O ZINC000770468149 1046208346 /nfs/dbraw/zinc/20/83/46/1046208346.db2.gz FNCKZWOIJABVGA-UHFFFAOYSA-N -1 3 333.387 4.249 20 10 EICDHM Cc1c2cc[nH]c2ncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521511 1046364348 /nfs/dbraw/zinc/36/43/48/1046364348.db2.gz FNGWXMHCPBZJJV-UHFFFAOYSA-N -1 3 338.798 4.342 20 10 EICDHM [O-]c1c(CNc2ccc3c(c2)CCO3)cc(Cl)c2cccnc12 ZINC001168522053 1046399194 /nfs/dbraw/zinc/39/91/94/1046399194.db2.gz OCNBOFQQYFKVCU-UHFFFAOYSA-N -1 3 326.783 4.141 20 10 EICDHM Cc1nc2cncc(NCc3cc(Cl)c4cccnc4c3[O-])c2o1 ZINC001168522858 1046699248 /nfs/dbraw/zinc/69/92/48/1046699248.db2.gz JZHIWVZMUCIHAN-UHFFFAOYSA-N -1 3 340.770 4.051 20 10 EICDHM COC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000786955809 1046884079 /nfs/dbraw/zinc/88/40/79/1046884079.db2.gz DPVRXYZYRPGWJZ-MGPLVRAMSA-N -1 3 341.785 4.362 20 10 EICDHM COc1c([O-])c(CNc2ccc(C)c(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000787300660 1046987753 /nfs/dbraw/zinc/98/77/53/1046987753.db2.gz RFQJADNXGYLQBO-UHFFFAOYSA-N -1 3 346.383 4.017 20 10 EICDHM COc1cc(Cl)c(CNCc2cccc(Cl)c2[O-])cc1OC ZINC000898215954 1047569650 /nfs/dbraw/zinc/56/96/50/1047569650.db2.gz SBYSPDDTJVOYRA-UHFFFAOYSA-N -1 3 342.222 4.006 20 10 EICDHM COC[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731787 1048094833 /nfs/dbraw/zinc/09/48/33/1048094833.db2.gz ALGBVUMYAFBDLY-QFYYESIMSA-N -1 3 341.785 4.362 20 10 EICDHM CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000809709847 1048491778 /nfs/dbraw/zinc/49/17/78/1048491778.db2.gz SRLBAGGCKJTHKI-UHFFFAOYSA-N -1 3 336.775 4.137 20 10 EICDHM Cc1cccc2nc(CN[C@H](C)c3cccc(C(F)(F)F)c3[O-])cn21 ZINC000815578253 1048518898 /nfs/dbraw/zinc/51/88/98/1048518898.db2.gz KOOIXMTUYQTTGU-GFCCVEGCSA-N -1 3 349.356 4.218 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000816502689 1048821884 /nfs/dbraw/zinc/82/18/84/1048821884.db2.gz LUELLWNNUWJANY-GOSISDBHSA-N -1 3 335.806 4.148 20 10 EICDHM CSc1cccc(F)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816608006 1048843691 /nfs/dbraw/zinc/84/36/91/1048843691.db2.gz MEDZVANJDVPAHW-UHFFFAOYSA-N -1 3 329.799 4.336 20 10 EICDHM O=C(Nc1cc(C2CCCCC2)ccc1O)c1cccc(O)c1[O-] ZINC001148219082 1049279461 /nfs/dbraw/zinc/27/94/61/1049279461.db2.gz RFMKUSLKOFYRKA-UHFFFAOYSA-N -1 3 327.380 4.103 20 10 EICDHM COc1c([O-])c(CNc2ccccc2OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774939418 1050167978 /nfs/dbraw/zinc/16/79/78/1050167978.db2.gz UYTXIWVOIYFEOX-UHFFFAOYSA-N -1 3 346.383 4.098 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001179365103 1050681655 /nfs/dbraw/zinc/68/16/55/1050681655.db2.gz FBWRKNIYALEFMV-AWEZNQCLSA-N -1 3 331.721 4.253 20 10 EICDHM Cc1ncn(-c2ccc(NCc3cc(F)c(F)cc3[O-])cc2)c1C ZINC001182109123 1051394416 /nfs/dbraw/zinc/39/44/16/1051394416.db2.gz JGFYFHLQPUGOHA-UHFFFAOYSA-N -1 3 329.350 4.085 20 10 EICDHM COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cccc(F)c1[O-] ZINC001182469955 1051607158 /nfs/dbraw/zinc/60/71/58/1051607158.db2.gz KFXLWKHQVKLLGF-INIZCTEOSA-N -1 3 329.415 4.375 20 10 EICDHM Cc1ccc(OC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001194474278 1052156637 /nfs/dbraw/zinc/15/66/37/1052156637.db2.gz OLEFRZGNOOIYLC-UHFFFAOYSA-N -1 3 342.782 4.191 20 10 EICDHM CC[C@H](N[C@@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573238 1053328866 /nfs/dbraw/zinc/32/88/66/1053328866.db2.gz XLHHKOLCKXBVIO-ZANVPECISA-N -1 3 328.243 4.234 20 10 EICDHM O=C(Nc1cncc([O-])c1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262265 1053351560 /nfs/dbraw/zinc/35/15/60/1053351560.db2.gz OFHRLECUKJAVKF-QURGRASLSA-N -1 3 334.335 4.161 20 10 EICDHM Cc1ccc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000866477654 1053742597 /nfs/dbraw/zinc/74/25/97/1053742597.db2.gz CYEGFRFWECOVLU-VIFPVBQESA-N -1 3 328.181 4.046 20 10 EICDHM O=C1/C(=C\c2c(F)ccc([O-])c2F)SC(=S)N1c1ccccc1 ZINC000794932131 1053791414 /nfs/dbraw/zinc/79/14/14/1053791414.db2.gz TXHRLVJHPRWOHA-MDWZMJQESA-N -1 3 349.383 4.076 20 10 EICDHM O=C([N-]Cc1ccccc1O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857471755 1054262156 /nfs/dbraw/zinc/26/21/56/1054262156.db2.gz JZQPLTJZIYFTGS-UHFFFAOYSA-N -1 3 346.160 4.107 20 10 EICDHM COc1ccc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000858501371 1054504614 /nfs/dbraw/zinc/50/46/14/1054504614.db2.gz LYDIIMRRYZJUSP-WDEREUQCSA-N -1 3 337.366 4.099 20 10 EICDHM COc1ccc(F)cc1NCc1cc(C)cc(Br)c1[O-] ZINC001201473466 1054827736 /nfs/dbraw/zinc/82/77/36/1054827736.db2.gz PQNSFMMAMALREU-UHFFFAOYSA-N -1 3 340.192 4.223 20 10 EICDHM Cc1cnn(-c2ccncc2NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000776253211 1055061381 /nfs/dbraw/zinc/06/13/81/1055061381.db2.gz TXFQNLHPOJYVSE-UHFFFAOYSA-N -1 3 349.221 4.200 20 10 EICDHM [O-]c1c(F)cc(F)cc1CNCc1ccc(-c2ccco2)cc1F ZINC001202258887 1055102497 /nfs/dbraw/zinc/10/24/97/1055102497.db2.gz JYVFGBUCWDTCDG-UHFFFAOYSA-N -1 3 333.309 4.359 20 10 EICDHM Cc1ccc(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001202436890 1055175338 /nfs/dbraw/zinc/17/53/38/1055175338.db2.gz SIVZMECQAYAPIT-UHFFFAOYSA-N -1 3 341.798 4.224 20 10 EICDHM CN1C(=O)/C(=C\c2cc(Cl)c3ccccc3c2[O-])SC1=S ZINC000255014340 1019887834 /nfs/dbraw/zinc/88/78/34/1019887834.db2.gz OLQLTJGWYRGAMH-KPKJPENVSA-N -1 3 335.837 4.030 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCCc3sccc3C2)c1[O-] ZINC001167350992 1021624422 /nfs/dbraw/zinc/62/44/22/1021624422.db2.gz YEOQHDZSCBLVRW-UHFFFAOYSA-N -1 3 335.856 4.258 20 10 EICDHM COc1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000101593769 1023872970 /nfs/dbraw/zinc/87/29/70/1023872970.db2.gz MFRGKMCCJGRVLH-UHFFFAOYSA-N -1 3 342.222 4.006 20 10 EICDHM C[C@@H]1CN(c2ccc(NCc3c([O-])cccc3Cl)cc2)C[C@@H](C)O1 ZINC000124875256 1023972369 /nfs/dbraw/zinc/97/23/69/1023972369.db2.gz DMHDKJXOVJYMMB-ZIAGYGMSSA-N -1 3 346.858 4.271 20 10 EICDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000894993555 1027686696 /nfs/dbraw/zinc/68/66/96/1027686696.db2.gz JYLJLTUUYMLEPS-IBGZPJMESA-N -1 3 345.389 4.024 20 10 EICDHM CN(Cc1c([O-])ccc2ccncc21)Cc1c(F)cccc1Cl ZINC000021965318 1029027332 /nfs/dbraw/zinc/02/73/32/1029027332.db2.gz ZHXXJNGMGSUGNE-UHFFFAOYSA-N -1 3 330.790 4.365 20 10 EICDHM CC[C@H](NCc1ccn(CC)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840840167 1029568091 /nfs/dbraw/zinc/56/80/91/1029568091.db2.gz GQZFUBMSFFJXDH-ZDUSSCGKSA-N -1 3 328.243 4.156 20 10 EICDHM COc1cc(OC)c(NCc2c([O-])cccc2Cl)cc1Cl ZINC000166282613 1037158751 /nfs/dbraw/zinc/15/87/51/1037158751.db2.gz IKLADZXCZADQJR-UHFFFAOYSA-N -1 3 328.195 4.328 20 10 EICDHM C[C@H](NCc1c(F)cccc1OC(F)F)c1ccc(F)cc1[O-] ZINC000273351753 1037425634 /nfs/dbraw/zinc/42/56/34/1037425634.db2.gz BVTCCMQJUQASFB-VIFPVBQESA-N -1 3 329.293 4.123 20 10 EICDHM C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cc(Cl)ccc1[O-] ZINC000757656492 1039880180 /nfs/dbraw/zinc/88/01/80/1039880180.db2.gz JRZHCNNFDAHBJA-AMIZOPFISA-N -1 3 325.742 4.108 20 10 EICDHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837920 1044656378 /nfs/dbraw/zinc/65/63/78/1044656378.db2.gz ZGEDBBWYEHLFBO-UHFFFAOYSA-N -1 3 347.817 4.280 20 10 EICDHM O=[N+]([O-])c1cc(Cl)cc(CN(Cc2cccs2)C2CC2)c1[O-] ZINC000768252722 1045763013 /nfs/dbraw/zinc/76/30/13/1045763013.db2.gz NKJGXISUINFPGE-UHFFFAOYSA-N -1 3 338.816 4.180 20 10 EICDHM CN(Cc1cccc(Br)c1[O-])Cc1ccc(F)cc1F ZINC000768234173 1045764453 /nfs/dbraw/zinc/76/44/53/1045764453.db2.gz VBRFMRAMDUBISN-UHFFFAOYSA-N -1 3 342.183 4.065 20 10 EICDHM CN(Cc1ccc(Br)o1)Cc1c([O-])cccc1Cl ZINC000768263859 1045773980 /nfs/dbraw/zinc/77/39/80/1045773980.db2.gz XWUYPVIGKJKLKQ-UHFFFAOYSA-N -1 3 330.609 4.033 20 10 EICDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474851 1045991268 /nfs/dbraw/zinc/99/12/68/1045991268.db2.gz SKZKNWJFLGBSMJ-SGTLLEGYSA-N -1 3 335.806 4.147 20 10 EICDHM Cc1ccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c([O-])c1O ZINC000769642748 1046031901 /nfs/dbraw/zinc/03/19/01/1046031901.db2.gz LXJZJKPHKNNORH-HNNXBMFYSA-N -1 3 325.408 4.196 20 10 EICDHM C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769986471 1046122167 /nfs/dbraw/zinc/12/21/67/1046122167.db2.gz PQSOSFRIDNNWGI-PRHODGIISA-N -1 3 332.252 4.145 20 10 EICDHM Cc1ccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c([O-])c1O ZINC000770485180 1046213884 /nfs/dbraw/zinc/21/38/84/1046213884.db2.gz GRHOLZSFHKACIL-UHFFFAOYSA-N -1 3 325.408 4.123 20 10 EICDHM C[C@@]12CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]1C2(Cl)Cl ZINC000793618126 1046315269 /nfs/dbraw/zinc/31/52/69/1046315269.db2.gz ZVXZVQRGCWZHEI-WCQYABFASA-N -1 3 338.637 4.200 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001142534467 1047554758 /nfs/dbraw/zinc/55/47/58/1047554758.db2.gz KPCOZMYKQOCTMW-MRXNPFEDSA-N -1 3 325.305 4.286 20 10 EICDHM Cc1cc([O-])c(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc1Cl ZINC000824602306 1047891322 /nfs/dbraw/zinc/89/13/22/1047891322.db2.gz UTCYFTVCKBXIIY-OAHLLOKOSA-N -1 3 347.846 4.342 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN(Cc1ccco1)C1CC1 ZINC001144308373 1048589187 /nfs/dbraw/zinc/58/91/87/1048589187.db2.gz WZTAICSORUPTKU-UHFFFAOYSA-N -1 3 340.192 4.051 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1coc(-c2ccccc2)n1 ZINC000816551471 1048828889 /nfs/dbraw/zinc/82/88/89/1048828889.db2.gz CKHGXBSBXZGNRJ-UHFFFAOYSA-N -1 3 332.762 4.130 20 10 EICDHM Cc1ccc(COc2cccc(NC(=O)c3cccc(O)c3[O-])c2)cc1 ZINC001146907657 1049070463 /nfs/dbraw/zinc/07/04/63/1049070463.db2.gz VKICULACXXVCAO-UHFFFAOYSA-N -1 3 349.386 4.238 20 10 EICDHM Cc1ccoc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000813882606 1049830420 /nfs/dbraw/zinc/83/04/20/1049830420.db2.gz FACCNVLMBGELRV-SECBINFHSA-N -1 3 328.181 4.046 20 10 EICDHM CCOc1ccc2ccccc2c1C(=O)NCc1c([O-])cccc1F ZINC001178413662 1050466495 /nfs/dbraw/zinc/46/64/95/1050466495.db2.gz VPEFALPKDMKBFO-UHFFFAOYSA-N -1 3 339.366 4.013 20 10 EICDHM CC1(C)C[C@H](NCc2cc(F)cc(F)c2[O-])c2cc(F)ccc2O1 ZINC001179085868 1050628387 /nfs/dbraw/zinc/62/83/87/1050628387.db2.gz HVXKDIMYQSTTFD-HNNXBMFYSA-N -1 3 337.341 4.202 20 10 EICDHM O=C(NC1CCCC1)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775181867 1050811667 /nfs/dbraw/zinc/81/16/67/1050811667.db2.gz XBPKSICMYIWAHM-UHFFFAOYSA-N -1 3 344.842 4.330 20 10 EICDHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180112479 1050888802 /nfs/dbraw/zinc/88/88/02/1050888802.db2.gz KZGKARFXWDJGSV-UHFFFAOYSA-N -1 3 347.283 4.201 20 10 EICDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1Cl ZINC000775291150 1051040452 /nfs/dbraw/zinc/04/04/52/1051040452.db2.gz BNGUAKSAENYRLH-UHFFFAOYSA-N -1 3 339.844 4.080 20 10 EICDHM C[C@@H](NCc1cn2ccsc2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774149962 1051484101 /nfs/dbraw/zinc/48/41/01/1051484101.db2.gz ZMCUPNPZLIQRND-MRVPVSSYSA-N -1 3 342.251 4.259 20 10 EICDHM CCc1cc(CN[C@H](CC)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000775509110 1051649145 /nfs/dbraw/zinc/64/91/45/1051649145.db2.gz HUNHVJZBJZTWQS-CYBMUJFWSA-N -1 3 329.227 4.490 20 10 EICDHM CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574221 1051875944 /nfs/dbraw/zinc/87/59/44/1051875944.db2.gz OJSOHHMRDMNUDV-DIFFPNOSSA-N -1 3 349.377 4.244 20 10 EICDHM CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(Cl)c1[O-] ZINC001184238830 1051976093 /nfs/dbraw/zinc/97/60/93/1051976093.db2.gz GQYQOYXBDYOCJE-UHFFFAOYSA-N -1 3 327.815 4.068 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)ccc1O ZINC001194234978 1052112445 /nfs/dbraw/zinc/11/24/45/1052112445.db2.gz BZTSDFWPHNPVFW-UHFFFAOYSA-N -1 3 347.823 4.308 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])ccc1OC(F)F ZINC000850561176 1053318090 /nfs/dbraw/zinc/31/80/90/1053318090.db2.gz KLYLPPCABWBSOZ-VIFPVBQESA-N -1 3 327.302 4.314 20 10 EICDHM [O-]c1c(Br)cccc1CNc1ccnc2cc(F)ccc21 ZINC000764935607 1053385152 /nfs/dbraw/zinc/38/51/52/1053385152.db2.gz ZROIKEXICLYDPB-UHFFFAOYSA-N -1 3 347.187 4.454 20 10 EICDHM C[C@H](NCc1ncc(Cl)s1)c1cc(Br)ccc1[O-] ZINC000872115104 1054393614 /nfs/dbraw/zinc/39/36/14/1054393614.db2.gz HGLBAYYXJFIJKX-ZETCQYMHSA-N -1 3 347.665 4.115 20 10 EICDHM CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000877843298 1055131956 /nfs/dbraw/zinc/13/19/56/1055131956.db2.gz PBNKEIMDUKKIQF-GOSISDBHSA-N -1 3 338.794 4.077 20 10 EICDHM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000186316367 1055351032 /nfs/dbraw/zinc/35/10/32/1055351032.db2.gz JUKBYCRDJANPIO-DYVFJYSZSA-N -1 3 331.387 4.262 20 10 EICDHM COc1ccccc1[C@H](NCc1cc(F)ccc1[O-])c1ccco1 ZINC000180931457 1032632386 /nfs/dbraw/zinc/63/23/86/1032632386.db2.gz OBRLOUCQDLCHEA-IBGZPJMESA-N -1 3 327.355 4.012 20 10 EICDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCCCC1 ZINC000121003853 1020938183 /nfs/dbraw/zinc/93/81/83/1020938183.db2.gz HTDXSRZDVSBQHM-UHFFFAOYSA-N -1 3 344.842 4.284 20 10 EICDHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)cs1 ZINC000780855494 1023373784 /nfs/dbraw/zinc/37/37/84/1023373784.db2.gz LHUXVXHFDNNJBK-UHFFFAOYSA-N -1 3 340.404 4.090 20 10 EICDHM Cc1nnc([C@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278812740 1023485000 /nfs/dbraw/zinc/48/50/00/1023485000.db2.gz RZTKPCRMBBCFKF-RQJHMYQMSA-N -1 3 332.256 4.271 20 10 EICDHM C[C@H]1CCCCN1C(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000280829660 1042961580 /nfs/dbraw/zinc/96/15/80/1042961580.db2.gz WOLXZWSNTAIJDB-AWEZNQCLSA-N -1 3 342.414 4.158 20 10 EICDHM CN(Cc1ccccc1O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000740750104 1045212843 /nfs/dbraw/zinc/21/28/43/1045212843.db2.gz HKWPKANEUBWUHP-UHFFFAOYSA-N -1 3 349.386 4.162 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1Br ZINC000790962986 1045636951 /nfs/dbraw/zinc/63/69/51/1045636951.db2.gz WJKSHSBQSNAICR-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000791582724 1045764897 /nfs/dbraw/zinc/76/48/97/1045764897.db2.gz CGKCMKHKBQYFEG-AMIZOPFISA-N -1 3 335.753 4.021 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000792156655 1045867458 /nfs/dbraw/zinc/86/74/58/1045867458.db2.gz JVWVMXYBAWONPZ-IBGZPJMESA-N -1 3 349.833 4.130 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333113 1045925159 /nfs/dbraw/zinc/92/51/59/1045925159.db2.gz OYFDEYXQTTUZPE-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM Cc1ccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c([O-])c1O ZINC000769642753 1046030042 /nfs/dbraw/zinc/03/00/42/1046030042.db2.gz LXJZJKPHKNNORH-OAHLLOKOSA-N -1 3 325.408 4.196 20 10 EICDHM C[C@]12CCN(Cc3c([O-])ccc(Cl)c3F)C[C@H]1C2(Cl)Cl ZINC000793618129 1046313472 /nfs/dbraw/zinc/31/34/72/1046313472.db2.gz ZVXZVQRGCWZHEI-YPMHNXCESA-N -1 3 338.637 4.200 20 10 EICDHM COc1ccc(N(CCC(C)C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000794198284 1046380851 /nfs/dbraw/zinc/38/08/51/1046380851.db2.gz HKGCPNUPEZFWBB-UHFFFAOYSA-N -1 3 343.423 4.108 20 10 EICDHM COC[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000785545181 1046707392 /nfs/dbraw/zinc/70/73/92/1046707392.db2.gz SCQVUGRRILVXGG-AWEZNQCLSA-N -1 3 344.213 4.315 20 10 EICDHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000917499349 1046912527 /nfs/dbraw/zinc/91/25/27/1046912527.db2.gz DKFIQYBLXYWDFV-HNNXBMFYSA-N -1 3 337.206 4.285 20 10 EICDHM CC[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129746 1047153332 /nfs/dbraw/zinc/15/33/32/1047153332.db2.gz JGKHLSHANIZGNZ-DOMZBBRYSA-N -1 3 348.878 4.165 20 10 EICDHM CC[C@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(F)cc1[O-] ZINC000806170648 1047155290 /nfs/dbraw/zinc/15/52/90/1047155290.db2.gz YEUZLCFSHKQXCT-KRWDZBQOSA-N -1 3 330.403 4.186 20 10 EICDHM CC[C@H](NCc1cccc(F)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148640 1047173253 /nfs/dbraw/zinc/17/32/53/1047173253.db2.gz JGZCEXLLYDMYJD-ZDUSSCGKSA-N -1 3 329.202 4.474 20 10 EICDHM CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000806155414 1047180935 /nfs/dbraw/zinc/18/09/35/1047180935.db2.gz QSACOVZPBWYGCP-MRXNPFEDSA-N -1 3 328.803 4.190 20 10 EICDHM CC[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159081 1047182477 /nfs/dbraw/zinc/18/24/77/1047182477.db2.gz XIOLWGOUNDZHDN-KGLIPLIRSA-N -1 3 339.769 4.498 20 10 EICDHM CCNC(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1C ZINC000788529964 1047227679 /nfs/dbraw/zinc/22/76/79/1047227679.db2.gz RWRHINXYXCNJCK-UHFFFAOYSA-N -1 3 333.819 4.108 20 10 EICDHM CC[C@H](Nc1cc(N2CCOCC2)ccc1C)c1ccc(F)cc1[O-] ZINC000796979580 1047995409 /nfs/dbraw/zinc/99/54/09/1047995409.db2.gz YQYZBJXQKVNFMD-SFHVURJKSA-N -1 3 344.430 4.240 20 10 EICDHM C[C@H](NCc1ccc2ccccc2c1[O-])c1nc(C(C)(C)C)no1 ZINC000816590974 1048832232 /nfs/dbraw/zinc/83/22/32/1048832232.db2.gz QETPAHUVUBKUOG-LBPRGKRZSA-N -1 3 325.412 4.077 20 10 EICDHM Cc1ccc(-c2nc(CNCc3cc(Cl)c(F)cc3[O-])co2)cc1 ZINC000816553759 1048833572 /nfs/dbraw/zinc/83/35/72/1048833572.db2.gz GEAXAIXVWFLQES-UHFFFAOYSA-N -1 3 346.789 4.438 20 10 EICDHM Cn1c2ccccc2nc1C(C)(C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816570698 1048838516 /nfs/dbraw/zinc/83/85/16/1048838516.db2.gz DPNHNDUAHIIIEO-UHFFFAOYSA-N -1 3 347.821 4.096 20 10 EICDHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573762 1048838718 /nfs/dbraw/zinc/83/87/18/1048838718.db2.gz JWMLIZPMYCLYOI-WPRPVWTQSA-N -1 3 325.733 4.348 20 10 EICDHM Cc1ccccc1-c1nc(CNCc2ccc3ccccc3c2[O-])no1 ZINC000816573463 1048838832 /nfs/dbraw/zinc/83/88/32/1048838832.db2.gz ZDJRFOHOSPLJPJ-UHFFFAOYSA-N -1 3 345.402 4.194 20 10 EICDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc2cc[nH]c21 ZINC001168525337 1048993566 /nfs/dbraw/zinc/99/35/66/1048993566.db2.gz BBUHOLDPTNTKBB-UHFFFAOYSA-N -1 3 338.798 4.391 20 10 EICDHM Cc1c2ccccc2oc1[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001146447803 1049026080 /nfs/dbraw/zinc/02/60/80/1049026080.db2.gz LLTMJSUIEHMCSG-QGZVFWFLSA-N -1 3 339.391 4.280 20 10 EICDHM CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC001147676095 1049195089 /nfs/dbraw/zinc/19/50/89/1049195089.db2.gz NLFWKAGSHOYGHP-HNNXBMFYSA-N -1 3 333.815 4.268 20 10 EICDHM CCCCCCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148588661 1049340502 /nfs/dbraw/zinc/34/05/02/1049340502.db2.gz YXNPOKMFMUSOEW-UHFFFAOYSA-N -1 3 329.396 4.179 20 10 EICDHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cccc(O)c1[O-] ZINC001136578551 1049757189 /nfs/dbraw/zinc/75/71/89/1049757189.db2.gz PFZZVRQWCRNCSB-KRWDZBQOSA-N -1 3 341.451 4.361 20 10 EICDHM CC[C@H](NCc1snnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813883488 1049831671 /nfs/dbraw/zinc/83/16/71/1049831671.db2.gz NLBWWMDCQIMPSX-JTQLQIEISA-N -1 3 332.256 4.100 20 10 EICDHM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001179878413 1050815195 /nfs/dbraw/zinc/81/51/95/1050815195.db2.gz PWLPTRVSSVGSJS-CQSZACIVSA-N -1 3 348.849 4.064 20 10 EICDHM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001179878410 1050815783 /nfs/dbraw/zinc/81/57/83/1050815783.db2.gz PWLPTRVSSVGSJS-AWEZNQCLSA-N -1 3 348.849 4.064 20 10 EICDHM CCC1(CC)C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181886930 1051342973 /nfs/dbraw/zinc/34/29/73/1051342973.db2.gz FSZREBKUKYYSQL-CYBMUJFWSA-N -1 3 332.831 4.036 20 10 EICDHM CC(C)n1ccc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774203208 1051499097 /nfs/dbraw/zinc/49/90/97/1051499097.db2.gz STYCHZLKQZKNDD-JTQLQIEISA-N -1 3 328.243 4.327 20 10 EICDHM CC[C@H](NCc1cccc(F)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524951 1051705636 /nfs/dbraw/zinc/70/56/36/1051705636.db2.gz XEGXOFBMTVISDM-LBPRGKRZSA-N -1 3 329.202 4.474 20 10 EICDHM [O-]c1cc(Br)ccc1CN[C@@H](CF)c1ccc(F)cc1 ZINC001183427934 1051841503 /nfs/dbraw/zinc/84/15/03/1051841503.db2.gz DJSFORAPEXROJV-AWEZNQCLSA-N -1 3 342.183 4.094 20 10 EICDHM C[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001184512496 1052035446 /nfs/dbraw/zinc/03/54/46/1052035446.db2.gz NZRGBRPDSRCHHA-NWDGAFQWSA-N -1 3 332.831 4.036 20 10 EICDHM CC1(C)CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001185174012 1052186670 /nfs/dbraw/zinc/18/66/70/1052186670.db2.gz GMWKGDWCNKXQTI-LLVKDONJSA-N -1 3 332.831 4.036 20 10 EICDHM CC(C)Oc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168528633 1052629022 /nfs/dbraw/zinc/62/90/22/1052629022.db2.gz XDIVGOJQPSHJKX-UHFFFAOYSA-N -1 3 343.814 4.388 20 10 EICDHM CC[C@@H](NCc1c(OC)cccc1OC)c1cccc(Cl)c1[O-] ZINC000850505798 1053264461 /nfs/dbraw/zinc/26/44/61/1053264461.db2.gz YLOWQSZWNWJYHG-OAHLLOKOSA-N -1 3 335.831 4.304 20 10 EICDHM COc1cc(NCc2c([O-])cccc2Cl)ccc1Br ZINC000118906590 1055058196 /nfs/dbraw/zinc/05/81/96/1055058196.db2.gz OZJIZCNGBHXWHD-UHFFFAOYSA-N -1 3 342.620 4.429 20 10 EICDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])Cc1c(F)cccc1F ZINC001167284407 1020833349 /nfs/dbraw/zinc/83/33/49/1020833349.db2.gz YJAMEUARGWODEF-UHFFFAOYSA-N -1 3 337.341 4.034 20 10 EICDHM CN(Cc1ncccc1C(F)(F)F)Cc1c([O-])cccc1Cl ZINC001140338058 1022873924 /nfs/dbraw/zinc/87/39/24/1022873924.db2.gz SVFDRGZVPJXHEI-UHFFFAOYSA-N -1 3 330.737 4.091 20 10 EICDHM C[C@H](NCc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756496697 1023083107 /nfs/dbraw/zinc/08/31/07/1023083107.db2.gz QAIUPIUKLZNYGO-VIFPVBQESA-N -1 3 341.194 4.458 20 10 EICDHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1[O-] ZINC000756759802 1024439392 /nfs/dbraw/zinc/43/93/92/1024439392.db2.gz ZFIVCLYJUKJXPI-XLKFXECMSA-N -1 3 325.742 4.108 20 10 EICDHM COCC[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000276892912 1024675083 /nfs/dbraw/zinc/67/50/83/1024675083.db2.gz IBCIXMBJMZGSDX-RISCZKNCSA-N -1 3 325.355 4.000 20 10 EICDHM Cc1cc(C)c(NC(=O)CN(C)Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000158427339 1026736524 /nfs/dbraw/zinc/73/65/24/1026736524.db2.gz ZGABAAYFTXADBK-UHFFFAOYSA-N -1 3 346.858 4.041 20 10 EICDHM CC[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132608 1027403960 /nfs/dbraw/zinc/40/39/60/1027403960.db2.gz FFGZREGSNNTZGP-SNVBAGLBSA-N -1 3 332.669 4.430 20 10 EICDHM CSc1cccc(F)c1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000287572115 1041468981 /nfs/dbraw/zinc/46/89/81/1041468981.db2.gz QPPDKDOQSANBKI-SECBINFHSA-N -1 3 327.371 4.382 20 10 EICDHM CCC(C)(C)OCc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000790868129 1045603492 /nfs/dbraw/zinc/60/34/92/1045603492.db2.gz DUKIFKBQEAOWQW-UHFFFAOYSA-N -1 3 343.423 4.364 20 10 EICDHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790873061 1045607913 /nfs/dbraw/zinc/60/79/13/1045607913.db2.gz GCXRQDJAFBZEKS-KDOFPFPSSA-N -1 3 325.408 4.020 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1COc2ccc(Cl)cc21 ZINC000790976419 1045662961 /nfs/dbraw/zinc/66/29/61/1045662961.db2.gz BWSQCGGQOWNLQV-LBPRGKRZSA-N -1 3 328.170 4.061 20 10 EICDHM CSCc1cc(F)ccc1CNCc1c([O-])ccc(Cl)c1F ZINC000790976869 1045664117 /nfs/dbraw/zinc/66/41/17/1045664117.db2.gz OEMBGVAVEXADNQ-UHFFFAOYSA-N -1 3 343.826 4.477 20 10 EICDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc([O-])c2ccccc2c1 ZINC000792056941 1045853603 /nfs/dbraw/zinc/85/36/03/1045853603.db2.gz JWVYWEUWRGKCAR-UHFFFAOYSA-N -1 3 346.430 4.076 20 10 EICDHM CC(C)CCOC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166803 1045870208 /nfs/dbraw/zinc/87/02/08/1045870208.db2.gz HISRAZLAFUQXEY-UHFFFAOYSA-N -1 3 329.843 4.212 20 10 EICDHM [O-]c1ccc(Br)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000769509395 1046004529 /nfs/dbraw/zinc/00/45/29/1046004529.db2.gz XWRYZDVWSYIATP-HNNXBMFYSA-N -1 3 336.204 4.241 20 10 EICDHM CC[C@H](NCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000806135682 1047132155 /nfs/dbraw/zinc/13/21/55/1047132155.db2.gz VKGXANRXXSFPQW-SFHVURJKSA-N -1 3 341.842 4.472 20 10 EICDHM CCc1cc(CN[C@@H](CC)c2cc(Cl)cc(Cl)c2[O-])on1 ZINC000806140492 1047165440 /nfs/dbraw/zinc/16/54/40/1047165440.db2.gz LBHJMLBNUNRVRG-AWEZNQCLSA-N -1 3 329.227 4.490 20 10 EICDHM CC[C@@H](NCc1cccnc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162916 1047185195 /nfs/dbraw/zinc/18/51/95/1047185195.db2.gz IXQJCPBHMXMCHR-CYBMUJFWSA-N -1 3 329.202 4.474 20 10 EICDHM CC(C)(C)c1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000809776150 1048506115 /nfs/dbraw/zinc/50/61/15/1048506115.db2.gz WLIRYJDDCFPYLS-UHFFFAOYSA-N -1 3 340.254 4.076 20 10 EICDHM Cc1ccc2nc(CN[C@@H](C)c3cccc(C(F)(F)F)c3[O-])cn2c1 ZINC000815576586 1048519231 /nfs/dbraw/zinc/51/92/31/1048519231.db2.gz UBIHVFKCPYEIGS-LBPRGKRZSA-N -1 3 349.356 4.218 20 10 EICDHM COCCc1ccnc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815625740 1048550795 /nfs/dbraw/zinc/55/07/95/1048550795.db2.gz LBFXJRCVBJFYLH-LLVKDONJSA-N -1 3 340.345 4.168 20 10 EICDHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573759 1048838476 /nfs/dbraw/zinc/83/84/76/1048838476.db2.gz JWMLIZPMYCLYOI-PSASIEDQSA-N -1 3 325.733 4.348 20 10 EICDHM COCc1ccnc(N[C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000846212360 1048847792 /nfs/dbraw/zinc/84/77/92/1048847792.db2.gz LQQMTEQIZOHBHR-SNVBAGLBSA-N -1 3 326.318 4.126 20 10 EICDHM CN(c1ccc(CNC(=O)c2ccccc2[O-])cc1)C1CCCCC1 ZINC001136446730 1049637277 /nfs/dbraw/zinc/63/72/77/1049637277.db2.gz SURJHKNBWUZAPO-UHFFFAOYSA-N -1 3 338.451 4.091 20 10 EICDHM CC[C@@H](NCc1snnc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813883489 1049831186 /nfs/dbraw/zinc/83/11/86/1049831186.db2.gz NLBWWMDCQIMPSX-SNVBAGLBSA-N -1 3 332.256 4.100 20 10 EICDHM C[C@H](Oc1ccccc1NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001136803403 1049890708 /nfs/dbraw/zinc/89/07/08/1049890708.db2.gz BEGWKMXMWUWBEV-AWEZNQCLSA-N -1 3 349.386 4.490 20 10 EICDHM C=Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001186527837 1050353562 /nfs/dbraw/zinc/35/35/62/1050353562.db2.gz ZFTUTBCNTRZORD-UHFFFAOYSA-N -1 3 338.794 4.167 20 10 EICDHM CC(C)(C(=O)NCc1c([O-])cccc1F)c1ccc2ccccc2c1 ZINC001178412599 1050465992 /nfs/dbraw/zinc/46/59/92/1050465992.db2.gz BGRZACWQGGBFKP-UHFFFAOYSA-N -1 3 337.394 4.279 20 10 EICDHM [O-]c1cccc(F)c1CNc1ccc(-c2ccc(Cl)s2)nn1 ZINC001187677892 1050593033 /nfs/dbraw/zinc/59/30/33/1050593033.db2.gz PQAIMFKVKJMMHQ-UHFFFAOYSA-N -1 3 335.791 4.315 20 10 EICDHM O=C(C[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925147 1050819112 /nfs/dbraw/zinc/81/91/12/1050819112.db2.gz NKIWSXDCFJLLLL-MRXNPFEDSA-N -1 3 349.352 4.047 20 10 EICDHM [O-]c1ccc(F)cc1CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC001179943131 1050826626 /nfs/dbraw/zinc/82/66/26/1050826626.db2.gz ZSKCTISLBPMHGA-UHFFFAOYSA-N -1 3 326.198 4.396 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001190447267 1051188930 /nfs/dbraw/zinc/18/89/30/1051188930.db2.gz LYPMLXLJWXSXES-UHFFFAOYSA-N -1 3 347.480 4.497 20 10 EICDHM C[C@@H](NCc1cn2ccccc2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774108772 1051457249 /nfs/dbraw/zinc/45/72/49/1051457249.db2.gz AEAURHIXNWYIIV-SNVBAGLBSA-N -1 3 336.222 4.198 20 10 EICDHM C[C@@H](NCc1csc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774206574 1051501794 /nfs/dbraw/zinc/50/17/94/1051501794.db2.gz DPEHYRWHACAKSQ-MRVPVSSYSA-N -1 3 346.283 4.072 20 10 EICDHM [O-]c1cc(Cl)ccc1CN1CCOc2c1cccc2C(F)(F)F ZINC001182675166 1051664774 /nfs/dbraw/zinc/66/47/74/1051664774.db2.gz KCWKLUKQUMJDND-UHFFFAOYSA-N -1 3 343.732 4.463 20 10 EICDHM CC[C@@H](NCc1cccc(F)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524948 1051705855 /nfs/dbraw/zinc/70/58/55/1051705855.db2.gz XEGXOFBMTVISDM-GFCCVEGCSA-N -1 3 329.202 4.474 20 10 EICDHM CC[C@H](NCc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524591 1051709482 /nfs/dbraw/zinc/70/94/82/1051709482.db2.gz SEFJJCONYLBDFP-ZDUSSCGKSA-N -1 3 326.227 4.038 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001203580072 1051935046 /nfs/dbraw/zinc/93/50/46/1051935046.db2.gz KPDHCCQCRGMVEY-OAHLLOKOSA-N -1 3 338.234 4.352 20 10 EICDHM CCCCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774915136 1052284540 /nfs/dbraw/zinc/28/45/40/1052284540.db2.gz RKCIVMAVJSBEJI-UHFFFAOYSA-N -1 3 330.384 4.264 20 10 EICDHM CC[C@H](N[C@@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572733 1053327228 /nfs/dbraw/zinc/32/72/28/1053327228.db2.gz OPGKGKTVJCRVOH-CABZTGNLSA-N -1 3 328.243 4.234 20 10 EICDHM O=c1[n-]ccc(Nc2ccc(NC3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000853262769 1053662584 /nfs/dbraw/zinc/66/25/84/1053662584.db2.gz JOMZVBCJYMZNRI-UHFFFAOYSA-N -1 3 328.372 4.184 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000776668557 1053674916 /nfs/dbraw/zinc/67/49/16/1053674916.db2.gz JUPWREJPQCNSTE-TUQDCPSNSA-N -1 3 337.419 4.196 20 10 EICDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000872133832 1054407499 /nfs/dbraw/zinc/40/74/99/1054407499.db2.gz PADNHAHXMJUWCY-PSASIEDQSA-N -1 3 326.227 4.209 20 10 EICDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872132577 1054408130 /nfs/dbraw/zinc/40/81/30/1054408130.db2.gz GPSBUARKOPCCDL-WCBMZHEXSA-N -1 3 326.227 4.209 20 10 EICDHM Nc1ccc(Cc2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201224370 1054730994 /nfs/dbraw/zinc/73/09/94/1054730994.db2.gz MPEVGXSCUFLKHL-UHFFFAOYSA-N -1 3 335.363 4.217 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1COc2c1cccc2Cl ZINC000776251236 1055058118 /nfs/dbraw/zinc/05/81/18/1055058118.db2.gz RSOWYTICDGRMOA-CYBMUJFWSA-N -1 3 328.170 4.061 20 10 EICDHM CC(C)(C)Oc1cccc(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC000776253135 1055060568 /nfs/dbraw/zinc/06/05/68/1055060568.db2.gz JFIMQKAUTCFSNM-UHFFFAOYSA-N -1 3 338.810 4.047 20 10 EICDHM [O-]c1cccc(Br)c1CN1Cc2cccc(Cl)c2C1 ZINC001140103538 1020658935 /nfs/dbraw/zinc/65/89/35/1020658935.db2.gz OALWFQGPGIUJQQ-UHFFFAOYSA-N -1 3 338.632 4.324 20 10 EICDHM CC[C@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1[O-] ZINC000376831556 1023320656 /nfs/dbraw/zinc/32/06/56/1023320656.db2.gz AQJLKMZZMXTBCQ-LSDHHAIUSA-N -1 3 348.878 4.336 20 10 EICDHM CC[C@@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796683156 1030747479 /nfs/dbraw/zinc/74/74/79/1030747479.db2.gz NEBUTOSJKXJSOK-MJGOQNOKSA-N -1 3 339.414 4.095 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000128798755 1040753982 /nfs/dbraw/zinc/75/39/82/1040753982.db2.gz BKMPQUVKHFLVRF-UHFFFAOYSA-N -1 3 347.686 4.362 20 10 EICDHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1-c1ccccc1C ZINC000762320251 1045185127 /nfs/dbraw/zinc/18/51/27/1045185127.db2.gz MTJMTNUWLDLFQP-UHFFFAOYSA-N -1 3 338.382 4.500 20 10 EICDHM CC(C)n1cc2c(n1)[C@H](NCc1c([O-])ccc(Cl)c1F)CCC2 ZINC000790991286 1045646452 /nfs/dbraw/zinc/64/64/52/1045646452.db2.gz STEDPBQRYHIIPW-CQSZACIVSA-N -1 3 337.826 4.129 20 10 EICDHM CCN(Cc1cccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768196480 1045751278 /nfs/dbraw/zinc/75/12/78/1045751278.db2.gz DJVFNWRZSVHDPM-UHFFFAOYSA-N -1 3 326.805 4.037 20 10 EICDHM O=[N+]([O-])c1ccccc1CN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000768334023 1045790272 /nfs/dbraw/zinc/79/02/72/1045790272.db2.gz JCTAYONPAXSKJG-UHFFFAOYSA-N -1 3 332.787 4.118 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000743259876 1045803259 /nfs/dbraw/zinc/80/32/59/1045803259.db2.gz NSQRREDKJXKEOR-UHFFFAOYSA-N -1 3 339.416 4.168 20 10 EICDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792174664 1045871719 /nfs/dbraw/zinc/87/17/19/1045871719.db2.gz YFFUGKYQDMVCGD-RKDXNWHRSA-N -1 3 325.733 4.348 20 10 EICDHM Cc1nc2[nH]ccc2cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522299 1046436385 /nfs/dbraw/zinc/43/63/85/1046436385.db2.gz FKNMJIDLTBLIDU-UHFFFAOYSA-N -1 3 338.798 4.342 20 10 EICDHM C[C@@H](NCc1cc(F)c(Cl)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788621517 1047252433 /nfs/dbraw/zinc/25/24/33/1047252433.db2.gz YOAGHMJSFMPMAO-MRVPVSSYSA-N -1 3 342.729 4.083 20 10 EICDHM COc1c(CNCc2cc(Cl)cc(F)c2[O-])oc2ccccc21 ZINC000789584829 1047443448 /nfs/dbraw/zinc/44/34/48/1047443448.db2.gz VHFQFARETRDFQC-UHFFFAOYSA-N -1 3 335.762 4.229 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045425 1048025271 /nfs/dbraw/zinc/02/52/71/1048025271.db2.gz DDJVCWPQDVKNHS-GFCCVEGCSA-N -1 3 345.723 4.379 20 10 EICDHM Cc1nc(C(C)(C)NCc2cc(Cl)cc(F)c2[O-])sc1C ZINC000776177442 1048174861 /nfs/dbraw/zinc/17/48/61/1048174861.db2.gz NTKJTHGPRGUQCO-UHFFFAOYSA-N -1 3 328.840 4.283 20 10 EICDHM CCc1nc(C)c(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815629038 1048554326 /nfs/dbraw/zinc/55/43/26/1048554326.db2.gz QYZUGIBVFVWJEQ-SECBINFHSA-N -1 3 328.334 4.121 20 10 EICDHM C[C@@H](Nc1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607618 1048557702 /nfs/dbraw/zinc/55/77/02/1048557702.db2.gz DFLUBUGOFDWALH-LLVKDONJSA-N -1 3 325.330 4.119 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CCC2)CC1 ZINC001144298415 1048574363 /nfs/dbraw/zinc/57/43/63/1048574363.db2.gz DCJWMXSDFRFQOE-UHFFFAOYSA-N -1 3 328.225 4.060 20 10 EICDHM C[C@@H](NCc1ccc2ccccc2c1[O-])c1nc(C(C)(C)C)no1 ZINC000816590973 1048832538 /nfs/dbraw/zinc/83/25/38/1048832538.db2.gz QETPAHUVUBKUOG-GFCCVEGCSA-N -1 3 325.412 4.077 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1c(F)c(F)cc(F)c1F ZINC000816555654 1048833908 /nfs/dbraw/zinc/83/39/08/1048833908.db2.gz MDVJXFNSMCEHKF-UHFFFAOYSA-N -1 3 337.675 4.031 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000816556617 1048834710 /nfs/dbraw/zinc/83/47/10/1048834710.db2.gz OTWHENLZCBCKTC-CYBMUJFWSA-N -1 3 328.170 4.061 20 10 EICDHM [O-]c1c(CN2CCSC[C@H]2c2nccs2)ccc2ccccc21 ZINC000816571822 1048838649 /nfs/dbraw/zinc/83/86/49/1048838649.db2.gz RMQHYHIAOYNJTL-INIZCTEOSA-N -1 3 342.489 4.292 20 10 EICDHM CCc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cs1 ZINC001147713490 1049205286 /nfs/dbraw/zinc/20/52/86/1049205286.db2.gz DFXNOKFIMLQGLQ-UHFFFAOYSA-N -1 3 346.839 4.148 20 10 EICDHM CC(=O)Nc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC001177363091 1050202801 /nfs/dbraw/zinc/20/28/01/1050202801.db2.gz JKJMIDWQIHEOCU-UHFFFAOYSA-N -1 3 349.228 4.034 20 10 EICDHM [O-]c1c(CNc2ccc(C3CC3)nc2)cc(Cl)c2cccnc12 ZINC001168526275 1050452293 /nfs/dbraw/zinc/45/22/93/1050452293.db2.gz UVNSTXQJMGJFJF-UHFFFAOYSA-N -1 3 325.799 4.478 20 10 EICDHM Cc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2C)c([O-])c1O ZINC000182293587 1050595567 /nfs/dbraw/zinc/59/55/67/1050595567.db2.gz BBLQWSVHZSCLTB-UHFFFAOYSA-N -1 3 334.375 4.029 20 10 EICDHM COc1ccccc1[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001180189743 1050924357 /nfs/dbraw/zinc/92/43/57/1050924357.db2.gz VRKFLFAHTRWSSR-QGZVFWFLSA-N -1 3 333.378 4.406 20 10 EICDHM CCC1(CC)C[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181886931 1051342295 /nfs/dbraw/zinc/34/22/95/1051342295.db2.gz FSZREBKUKYYSQL-ZDUSSCGKSA-N -1 3 332.831 4.036 20 10 EICDHM CC[C@@H](NCc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524590 1051710395 /nfs/dbraw/zinc/71/03/95/1051710395.db2.gz SEFJJCONYLBDFP-CYBMUJFWSA-N -1 3 326.227 4.038 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000774866965 1052227532 /nfs/dbraw/zinc/22/75/32/1052227532.db2.gz XBJQJVQDWDRTMH-SECBINFHSA-N -1 3 339.769 4.377 20 10 EICDHM CC[C@H](NCc1c(OC)cccc1OC)c1cccc(Cl)c1[O-] ZINC000850505797 1053265299 /nfs/dbraw/zinc/26/52/99/1053265299.db2.gz YLOWQSZWNWJYHG-HNNXBMFYSA-N -1 3 335.831 4.304 20 10 EICDHM CC[C@H](N[C@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572735 1053328387 /nfs/dbraw/zinc/32/83/87/1053328387.db2.gz OPGKGKTVJCRVOH-SKDRFNHKSA-N -1 3 328.243 4.234 20 10 EICDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198862457 1054285694 /nfs/dbraw/zinc/28/56/94/1054285694.db2.gz UOHNZODROZQAIY-UHFFFAOYSA-N -1 3 345.420 4.371 20 10 EICDHM C[C@@H](NCc1ncc(Cl)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000872112796 1054392072 /nfs/dbraw/zinc/39/20/72/1054392072.db2.gz LRACQOSRNHMYSB-SSDOTTSWSA-N -1 3 336.766 4.372 20 10 EICDHM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1ccns1 ZINC000858578011 1054527025 /nfs/dbraw/zinc/52/70/25/1054527025.db2.gz STAOKKUEMJLSQO-HTQZYQBOSA-N -1 3 345.237 4.162 20 10 EICDHM C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1[O-] ZINC000186317123 1055353762 /nfs/dbraw/zinc/35/37/62/1055353762.db2.gz OXZVBLDFMITHHR-GUYCJALGSA-N -1 3 331.387 4.262 20 10 EICDHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000255886668 1021803828 /nfs/dbraw/zinc/80/38/28/1021803828.db2.gz BTJZYYBBLHWBFE-KRWDZBQOSA-N -1 3 345.424 4.023 20 10 EICDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000376788918 1023311849 /nfs/dbraw/zinc/31/18/49/1023311849.db2.gz UFNPFQZDWCCIPS-ZIAGYGMSSA-N -1 3 325.387 4.129 20 10 EICDHM CC[C@@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000277472307 1026130613 /nfs/dbraw/zinc/13/06/13/1026130613.db2.gz RQTROSRALJJMSW-BDAKNGLRSA-N -1 3 343.258 4.181 20 10 EICDHM C[C@@H]1CC[C@H](C)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132542 1027405302 /nfs/dbraw/zinc/40/53/02/1027405302.db2.gz DLRUIADXCSNOPN-VHSXEESVSA-N -1 3 332.669 4.429 20 10 EICDHM CC(C)c1nnc([C@@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278160510 1028340780 /nfs/dbraw/zinc/34/07/80/1028340780.db2.gz AWSHSAREKOXCGT-RKDXNWHRSA-N -1 3 343.258 4.352 20 10 EICDHM Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ccccc2[O-])ccc1C ZINC001142016387 1029617165 /nfs/dbraw/zinc/61/71/65/1029617165.db2.gz HDHHJCIIWQGRMR-UHFFFAOYSA-N -1 3 348.402 4.173 20 10 EICDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H]2CCC[C@H]21 ZINC001233031604 1040112281 /nfs/dbraw/zinc/11/22/81/1040112281.db2.gz HYBVMAJMIVAHLW-QMTHXVAHSA-N -1 3 328.225 4.058 20 10 EICDHM CCCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715735167 1043211598 /nfs/dbraw/zinc/21/15/98/1043211598.db2.gz CUMYHXVSXWKYLC-UHFFFAOYSA-N -1 3 330.241 4.306 20 10 EICDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccsc1C(F)(F)F ZINC001128704075 1043642168 /nfs/dbraw/zinc/64/21/68/1043642168.db2.gz CSHUZIPBAGBFKB-UHFFFAOYSA-N -1 3 347.705 4.209 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cccc3ccccc32)CC1 ZINC000790599086 1045542085 /nfs/dbraw/zinc/54/20/85/1045542085.db2.gz RTMQPCQHLBVCOD-UHFFFAOYSA-N -1 3 347.414 4.271 20 10 EICDHM COc1cccc(Cl)c1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000790699341 1045561390 /nfs/dbraw/zinc/56/13/90/1045561390.db2.gz RMSBQTLGUQAPCA-VIFPVBQESA-N -1 3 327.758 4.183 20 10 EICDHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790905668 1045629018 /nfs/dbraw/zinc/62/90/18/1045629018.db2.gz PXCVQHHPWIUHPW-KRWDZBQOSA-N -1 3 325.408 4.199 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000790954743 1045635099 /nfs/dbraw/zinc/63/50/99/1045635099.db2.gz XIXMLVRMORDXOE-CQSZACIVSA-N -1 3 339.769 4.327 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COc2c1cccc2Cl ZINC000790977222 1045664002 /nfs/dbraw/zinc/66/40/02/1045664002.db2.gz QJBMVDFQOSZGSQ-GFCCVEGCSA-N -1 3 328.170 4.061 20 10 EICDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1c([O-])cccc1Cl ZINC000768215140 1045755616 /nfs/dbraw/zinc/75/56/16/1045755616.db2.gz QBUHDFOWORWQIT-UHFFFAOYSA-N -1 3 341.194 4.239 20 10 EICDHM C[C@@H](c1ccccc1F)N(C)Cc1cccc(Br)c1[O-] ZINC000768265246 1045771164 /nfs/dbraw/zinc/77/11/64/1045771164.db2.gz SVEMGVPUQAVMPG-NSHDSACASA-N -1 3 338.220 4.487 20 10 EICDHM C[C@@H](c1cccs1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768416839 1045808355 /nfs/dbraw/zinc/80/83/55/1045808355.db2.gz LRWZKCQGSNZSNG-VIFPVBQESA-N -1 3 326.805 4.208 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000768530058 1045815330 /nfs/dbraw/zinc/81/53/30/1045815330.db2.gz FGSRUZSAXPJISN-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM Cc1ccc(C(=O)N2CCc3c2cccc3-c2ccccc2)c([O-])c1O ZINC000768531996 1045816537 /nfs/dbraw/zinc/81/65/37/1045816537.db2.gz JUPAXIGNFCBIDC-UHFFFAOYSA-N -1 3 345.398 4.276 20 10 EICDHM Cc1nc2c(s1)[C@@H](N(C)Cc1c([O-])ccc(Cl)c1F)CCC2 ZINC000792166863 1045870467 /nfs/dbraw/zinc/87/04/67/1045870467.db2.gz ULJVWRYFOMBZAY-ZDUSSCGKSA-N -1 3 340.851 4.459 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000769867064 1046085738 /nfs/dbraw/zinc/08/57/38/1046085738.db2.gz XAUPMIPLCAKZMY-SNVBAGLBSA-N -1 3 335.753 4.023 20 10 EICDHM [O-]c1c(CNc2ccc3nnccc3c2)cc(Cl)c2cccnc12 ZINC001168522321 1046435819 /nfs/dbraw/zinc/43/58/19/1046435819.db2.gz FRLPDTYVLLAAGR-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM [O-]c1c(CNc2nccc3cccnc32)cc(Cl)c2cccnc12 ZINC001168522633 1046662068 /nfs/dbraw/zinc/66/20/68/1046662068.db2.gz HBBOWBFSVHVFBS-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM [O-]c1c(CNc2cccc3c2COC3)cc(Cl)c2cccnc12 ZINC001168522704 1046688232 /nfs/dbraw/zinc/68/82/32/1046688232.db2.gz ILSGGKLUKKCVND-UHFFFAOYSA-N -1 3 326.783 4.236 20 10 EICDHM CC[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129749 1047150378 /nfs/dbraw/zinc/15/03/78/1047150378.db2.gz JGKHLSHANIZGNZ-WFASDCNBSA-N -1 3 348.878 4.165 20 10 EICDHM C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000806176208 1047174785 /nfs/dbraw/zinc/17/47/85/1047174785.db2.gz JNXQUTJUXHKIAF-CHWSQXEVSA-N -1 3 343.377 4.268 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(F)c(Cl)cc1F ZINC000788532703 1047232114 /nfs/dbraw/zinc/23/21/14/1047232114.db2.gz SRILXCAKOMPSOD-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000788610247 1047233587 /nfs/dbraw/zinc/23/35/87/1047233587.db2.gz HFIDIOCRTZYRGB-JTQLQIEISA-N -1 3 335.787 4.014 20 10 EICDHM C[C@@H](NCc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000788621541 1047252383 /nfs/dbraw/zinc/25/23/83/1047252383.db2.gz ZGCHYTTUXNNSNP-SSDOTTSWSA-N -1 3 333.712 4.453 20 10 EICDHM COc1c2ccccc2oc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000788980919 1047350526 /nfs/dbraw/zinc/35/05/26/1047350526.db2.gz PJCOIEWJHQWVBX-SNVBAGLBSA-N -1 3 333.334 4.276 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN(Cc1ccccc1)Cc1ccccn1 ZINC001142509056 1047434309 /nfs/dbraw/zinc/43/43/09/1047434309.db2.gz VRPLSZGQEDYBNG-UHFFFAOYSA-N -1 3 340.373 4.268 20 10 EICDHM CN(C)C(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC000789889677 1047480712 /nfs/dbraw/zinc/48/07/12/1047480712.db2.gz LZNCZOLFAYMLSR-UHFFFAOYSA-N -1 3 339.222 4.013 20 10 EICDHM CCCCn1nc(C)c(CNCc2cccc(Cl)c2[O-])c1Cl ZINC000898219731 1047569039 /nfs/dbraw/zinc/56/90/39/1047569039.db2.gz KPGAZOVRRMEQMJ-UHFFFAOYSA-N -1 3 342.270 4.294 20 10 EICDHM CC(C)(NCc1cc(Cl)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000814178543 1047868624 /nfs/dbraw/zinc/86/86/24/1047868624.db2.gz URCDQGWJYZOXPF-UHFFFAOYSA-N -1 3 338.766 4.118 20 10 EICDHM CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c([O-])c1 ZINC000809775999 1048507469 /nfs/dbraw/zinc/50/74/69/1048507469.db2.gz OLJYYPIMMSSQMJ-UHFFFAOYSA-N -1 3 342.222 4.093 20 10 EICDHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607193 1048557824 /nfs/dbraw/zinc/55/78/24/1048557824.db2.gz SAELMJYKMSKHRJ-MRVPVSSYSA-N -1 3 335.276 4.046 20 10 EICDHM CN(Cc1ccc(Br)o1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485158 1048813182 /nfs/dbraw/zinc/81/31/82/1048813182.db2.gz BHCOQOOQAXOKPG-UHFFFAOYSA-N -1 3 348.599 4.172 20 10 EICDHM Cc1nc(C(C)(C)NCc2cc(Cl)c(F)cc2[O-])sc1C ZINC000816551587 1048824214 /nfs/dbraw/zinc/82/42/14/1048824214.db2.gz HLVQEUKANVWTND-UHFFFAOYSA-N -1 3 328.840 4.283 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1coc(-c2cccs2)n1 ZINC000816541035 1048826411 /nfs/dbraw/zinc/82/64/11/1048826411.db2.gz ARKDUDMDTMPVLV-UHFFFAOYSA-N -1 3 338.791 4.191 20 10 EICDHM CN(Cc1sc2ccccc2c1Cl)C(=O)c1cccc(O)c1[O-] ZINC001148219244 1049282610 /nfs/dbraw/zinc/28/26/10/1049282610.db2.gz YHYBWYPZLVQTOE-UHFFFAOYSA-N -1 3 347.823 4.238 20 10 EICDHM [O-]c1c(CNc2cc3[nH]cnc3cc2F)cc(Cl)c2cccnc12 ZINC001168525976 1050120739 /nfs/dbraw/zinc/12/07/39/1050120739.db2.gz NWJOIQDDXGBCPC-UHFFFAOYSA-N -1 3 342.761 4.221 20 10 EICDHM COc1c([O-])c(CNc2cccc3ccsc32)ccc1[N+](=O)[O-] ZINC000775051065 1050414224 /nfs/dbraw/zinc/41/42/24/1050414224.db2.gz MAQZVRIRNIRNMQ-UHFFFAOYSA-N -1 3 330.365 4.136 20 10 EICDHM [O-]c1c(F)cc(F)cc1CN[C@@H](c1cccc(F)c1)c1ccccn1 ZINC001178369235 1050446768 /nfs/dbraw/zinc/44/67/68/1050446768.db2.gz IAQCBZFIKGVECK-SFHVURJKSA-N -1 3 344.336 4.084 20 10 EICDHM CN(Cc1ccoc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001180157360 1050905016 /nfs/dbraw/zinc/90/50/16/1050905016.db2.gz HIUXUJXQDNFDFQ-UHFFFAOYSA-N -1 3 330.609 4.033 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C)c(C)c1O ZINC000775291919 1051039336 /nfs/dbraw/zinc/03/93/36/1051039336.db2.gz RFHHWDAAROAZKP-UHFFFAOYSA-N -1 3 339.844 4.080 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c(C)c1O ZINC000775292229 1051042025 /nfs/dbraw/zinc/04/20/25/1051042025.db2.gz WTVNIWRKGGTZKR-UHFFFAOYSA-N -1 3 333.453 4.242 20 10 EICDHM Cc1cc([O-])c(CN2CCO[C@@H](CCc3ccccc3)C2)cc1Cl ZINC001180665309 1051058877 /nfs/dbraw/zinc/05/88/77/1051058877.db2.gz MRSHKULQFSLNBH-SFHVURJKSA-N -1 3 345.870 4.188 20 10 EICDHM [O-]c1c(F)cccc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001180716062 1051062705 /nfs/dbraw/zinc/06/27/05/1051062705.db2.gz NNSMWYPZGWPMHF-UHFFFAOYSA-N -1 3 341.304 4.383 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001190445170 1051174706 /nfs/dbraw/zinc/17/47/06/1051174706.db2.gz QNXJGZJNIBXUCB-UHFFFAOYSA-N -1 3 347.480 4.497 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN(C)c2ccc(F)c(F)c2)c1[O-] ZINC001190539925 1051210689 /nfs/dbraw/zinc/21/06/89/1051210689.db2.gz APKOCMXPBXZJEB-UHFFFAOYSA-N -1 3 325.742 4.163 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC12CCCCC2 ZINC001181908243 1051347428 /nfs/dbraw/zinc/34/74/28/1051347428.db2.gz JPGKWURLDVPLBW-CQSZACIVSA-N -1 3 344.842 4.180 20 10 EICDHM COc1ccc2c(c1)C1(CC1)CN(Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001182138583 1051402323 /nfs/dbraw/zinc/40/23/23/1051402323.db2.gz IRGLEODUFZBNMB-UHFFFAOYSA-N -1 3 347.817 4.241 20 10 EICDHM CC[C@@H](NCc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513773 1051662114 /nfs/dbraw/zinc/66/21/14/1051662114.db2.gz MISSACXLXSZHDX-CYBMUJFWSA-N -1 3 329.202 4.474 20 10 EICDHM [O-]c1cc(F)c(F)cc1CNCc1cc(Cl)cc(Cl)c1F ZINC001183355130 1051827029 /nfs/dbraw/zinc/82/70/29/1051827029.db2.gz LHPIPSADCMYLJK-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574226 1051876207 /nfs/dbraw/zinc/87/62/07/1051876207.db2.gz OJSOHHMRDMNUDV-PIGZYNQJSA-N -1 3 349.377 4.244 20 10 EICDHM CC(C)(CC1CCC1)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183938103 1051922525 /nfs/dbraw/zinc/92/25/25/1051922525.db2.gz WRKQFOYKEVWZMX-UHFFFAOYSA-N -1 3 346.858 4.426 20 10 EICDHM C[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001184512498 1052038566 /nfs/dbraw/zinc/03/85/66/1052038566.db2.gz NZRGBRPDSRCHHA-VXGBXAGGSA-N -1 3 332.831 4.036 20 10 EICDHM COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc(Cl)c2[O-])c1 ZINC000775644850 1053334517 /nfs/dbraw/zinc/33/45/17/1053334517.db2.gz WAXYJPNWFJZQTI-KRWDZBQOSA-N -1 3 347.842 4.400 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)ccc1O ZINC001196435718 1053658829 /nfs/dbraw/zinc/65/88/29/1053658829.db2.gz PTJRSRZGBVBHSS-UHFFFAOYSA-N -1 3 347.823 4.308 20 10 EICDHM C[C@@H](NCc1ncc(Cl)s1)c1cc(Br)ccc1[O-] ZINC000872115103 1054393341 /nfs/dbraw/zinc/39/33/41/1054393341.db2.gz HGLBAYYXJFIJKX-SSDOTTSWSA-N -1 3 347.665 4.115 20 10 EICDHM CC[C@@](C)(NCc1c([O-])cccc1Br)c1nccs1 ZINC000858142782 1054422512 /nfs/dbraw/zinc/42/25/12/1054422512.db2.gz MHRZNDJPMKAVFA-CQSZACIVSA-N -1 3 341.274 4.026 20 10 EICDHM C[C@@H]1CC(=O)N(C)c2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000858310914 1054460897 /nfs/dbraw/zinc/46/08/97/1054460897.db2.gz BEXKIWHZKHZAHW-LLVKDONJSA-N -1 3 330.815 4.128 20 10 EICDHM CC[C@@H](c1ccncc1)N(C)Cc1c([O-])cccc1Br ZINC000862368212 1055057455 /nfs/dbraw/zinc/05/74/55/1055057455.db2.gz FDUUPJXMGLSGHB-HNNXBMFYSA-N -1 3 335.245 4.133 20 10 EICDHM Cc1cc([O-])c(CN[C@@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000862432088 1055067283 /nfs/dbraw/zinc/06/72/83/1055067283.db2.gz RAUHNLJYHGWHLW-NSHDSACASA-N -1 3 336.766 4.204 20 10 EICDHM Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756594 1055115495 /nfs/dbraw/zinc/11/54/95/1055115495.db2.gz WQNPUGTUEIURFN-LLVKDONJSA-N -1 3 336.229 4.020 20 10 EICDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)c3ccccc3c1[O-])N2 ZINC000877862744 1055143152 /nfs/dbraw/zinc/14/31/52/1055143152.db2.gz NRKZTPMPGZFOMH-SFHVURJKSA-N -1 3 338.794 4.361 20 10 EICDHM Cc1cc([O-])c(CN2CCSC[C@H]2c2nccs2)cc1Cl ZINC000825537212 1055221481 /nfs/dbraw/zinc/22/14/81/1055221481.db2.gz SOSLKRRBGDMFIJ-ZDUSSCGKSA-N -1 3 340.901 4.101 20 10 EICDHM C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(Cl)cc1[O-] ZINC000841755018 1032456131 /nfs/dbraw/zinc/45/61/31/1032456131.db2.gz FSAKARFYAPFWAR-BZNIZROVSA-N -1 3 330.815 4.170 20 10 EICDHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000255886671 1021803966 /nfs/dbraw/zinc/80/39/66/1021803966.db2.gz BTJZYYBBLHWBFE-QGZVFWFLSA-N -1 3 345.424 4.023 20 10 EICDHM CN(Cc1nccs1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000074724428 1026147998 /nfs/dbraw/zinc/14/79/98/1026147998.db2.gz VUOAMQNEKCBBBG-UHFFFAOYSA-N -1 3 328.437 4.106 20 10 EICDHM C[S@](=O)Cc1cc(NCc2c([O-])cccc2Cl)ccc1Cl ZINC000783592792 1027535468 /nfs/dbraw/zinc/53/54/68/1027535468.db2.gz KRSIQFMFZXVKSE-NRFANRHFSA-N -1 3 344.263 4.190 20 10 EICDHM Cc1ccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)cc1 ZINC001625879075 1028737657 /nfs/dbraw/zinc/73/76/57/1028737657.db2.gz KPYQKDNJPIEPJO-UHFFFAOYSA-N -1 3 335.359 4.451 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])cc(OC)c1Cl ZINC000840812771 1029399044 /nfs/dbraw/zinc/39/90/44/1029399044.db2.gz FZIVYZIVOGDYPV-SECBINFHSA-N -1 3 325.767 4.375 20 10 EICDHM CC[C@H](N[C@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796683154 1030741019 /nfs/dbraw/zinc/74/10/19/1030741019.db2.gz NEBUTOSJKXJSOK-HKUYNNGSSA-N -1 3 339.414 4.095 20 10 EICDHM CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)cc1[O-] ZINC000375890113 1031450332 /nfs/dbraw/zinc/45/03/32/1031450332.db2.gz RKPHFHCSGMZOFZ-INIZCTEOSA-N -1 3 328.387 4.369 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)c1[O-] ZINC000780386159 1031629737 /nfs/dbraw/zinc/62/97/37/1031629737.db2.gz VHEFLGHLOKGCAI-BXKDBHETSA-N -1 3 349.780 4.411 20 10 EICDHM C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000280829663 1042961375 /nfs/dbraw/zinc/96/13/75/1042961375.db2.gz WOLXZWSNTAIJDB-CQSZACIVSA-N -1 3 342.414 4.158 20 10 EICDHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(Cl)ccc1[O-] ZINC000731496170 1043769859 /nfs/dbraw/zinc/76/98/59/1043769859.db2.gz DGBCDBTZRPKMNN-OAHLLOKOSA-N -1 3 337.206 4.285 20 10 EICDHM O=C1c2ccccc2C(=O)c2cc(Nc3cccc([O-])c3F)ccc21 ZINC001212549212 1044270530 /nfs/dbraw/zinc/27/05/30/1044270530.db2.gz AZZZAFKSSFQNBN-UHFFFAOYSA-N -1 3 333.318 4.050 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2cc(C)cc(C)c2)c1[O-] ZINC001169985753 1045719120 /nfs/dbraw/zinc/71/91/20/1045719120.db2.gz DOMVAEQHBZKQDH-UHFFFAOYSA-N -1 3 331.843 4.497 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000768530059 1045816002 /nfs/dbraw/zinc/81/60/02/1045816002.db2.gz FGSRUZSAXPJISN-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000768968619 1045864278 /nfs/dbraw/zinc/86/42/78/1045864278.db2.gz MORJSSHRDYUKSZ-AWEZNQCLSA-N -1 3 333.819 4.033 20 10 EICDHM COc1cccc(NCc2cc(C)cc(Br)c2[O-])c1F ZINC000769930239 1046114598 /nfs/dbraw/zinc/11/45/98/1046114598.db2.gz XVRILNQXUBNPNK-UHFFFAOYSA-N -1 3 340.192 4.223 20 10 EICDHM CSc1cccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000804610110 1046660447 /nfs/dbraw/zinc/66/04/47/1046660447.db2.gz PCQLMGCRHMWTTH-UHFFFAOYSA-N -1 3 339.258 4.192 20 10 EICDHM CC[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000786976049 1046890331 /nfs/dbraw/zinc/89/03/31/1046890331.db2.gz YYFBHZHMMLROEB-CPCISQLKSA-N -1 3 326.156 4.146 20 10 EICDHM COC[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000787302915 1046988099 /nfs/dbraw/zinc/98/80/99/1046988099.db2.gz MVYVINXXNUMTJB-OAHLLOKOSA-N -1 3 344.213 4.315 20 10 EICDHM CC[C@@H](NCc1ccc(F)cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806143299 1047336291 /nfs/dbraw/zinc/33/62/91/1047336291.db2.gz IUBFHIKXDZAPMK-CQSZACIVSA-N -1 3 329.202 4.474 20 10 EICDHM COCc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168524350 1047744513 /nfs/dbraw/zinc/74/45/13/1047744513.db2.gz ZTEVWHLYZGQGHF-UHFFFAOYSA-N -1 3 328.799 4.352 20 10 EICDHM CCc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c([O-])c1 ZINC001136888549 1047885010 /nfs/dbraw/zinc/88/50/10/1047885010.db2.gz KLWISJFRSRDJLK-UHFFFAOYSA-N -1 3 338.451 4.443 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001171061766 1047896274 /nfs/dbraw/zinc/89/62/74/1047896274.db2.gz UBOUZBGYMKGOPJ-INIZCTEOSA-N -1 3 345.398 4.280 20 10 EICDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccccc3Cl)CCC2)c1 ZINC000844349930 1048300383 /nfs/dbraw/zinc/30/03/83/1048300383.db2.gz DREAFNISVQVWAP-UHFFFAOYSA-N -1 3 332.787 4.123 20 10 EICDHM CC(C)(NCc1c([O-])ccc(Cl)c1F)c1ccc(F)c(F)c1 ZINC000790972848 1048384395 /nfs/dbraw/zinc/38/43/95/1048384395.db2.gz IBDPSYSBBWBHNI-UHFFFAOYSA-N -1 3 329.749 4.488 20 10 EICDHM CC[C@@H](NCc1cnccc1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815629692 1048553866 /nfs/dbraw/zinc/55/38/66/1048553866.db2.gz KBLUEBFAYGVZDG-CYBMUJFWSA-N -1 3 341.238 4.344 20 10 EICDHM C[C@H](Nc1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607619 1048557366 /nfs/dbraw/zinc/55/73/66/1048557366.db2.gz DFLUBUGOFDWALH-NSHDSACASA-N -1 3 325.330 4.119 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1C2CCCC1CCC2 ZINC001144307873 1048586048 /nfs/dbraw/zinc/58/60/48/1048586048.db2.gz KAEXLMQZZPUMGS-UHFFFAOYSA-N -1 3 328.225 4.201 20 10 EICDHM C[C@@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1F ZINC000846017747 1048790737 /nfs/dbraw/zinc/79/07/37/1048790737.db2.gz PPNFSTIOWARYTR-RFAUZJTJSA-N -1 3 344.213 4.050 20 10 EICDHM COCc1ccc([C@H]2CCCN2Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816570863 1048838415 /nfs/dbraw/zinc/83/84/15/1048838415.db2.gz JTDNSHQLTIWHQK-OAHLLOKOSA-N -1 3 339.794 4.261 20 10 EICDHM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001136445249 1049635136 /nfs/dbraw/zinc/63/51/36/1049635136.db2.gz PIMVQARPQHZOIF-UHFFFAOYSA-N -1 3 347.414 4.249 20 10 EICDHM COC(=O)[C@@H](C)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000824168840 1049904245 /nfs/dbraw/zinc/90/42/45/1049904245.db2.gz XAZOLZPHJUOLTF-LBPRGKRZSA-N -1 3 333.815 4.009 20 10 EICDHM CC(C)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168526058 1050162359 /nfs/dbraw/zinc/16/23/59/1050162359.db2.gz RDDYGXDWCMAXQV-UHFFFAOYSA-N -1 3 328.803 4.119 20 10 EICDHM C[C@@H]1CC[C@](CO)(NCc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC001179792914 1050781774 /nfs/dbraw/zinc/78/17/74/1050781774.db2.gz CYNGILNWZJLDKD-CWTRNNRKSA-N -1 3 349.833 4.059 20 10 EICDHM CC(C)Cn1ncc(NCc2ccc(Cl)cc2[O-])c1C(F)F ZINC001180348750 1050961522 /nfs/dbraw/zinc/96/15/22/1050961522.db2.gz BCGADWCAFQSWRJ-UHFFFAOYSA-N -1 3 329.778 4.448 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(SC)cc2OC)c1 ZINC000774490956 1051614744 /nfs/dbraw/zinc/61/47/44/1051614744.db2.gz OBNXPBOJJINERD-LLVKDONJSA-N -1 3 347.436 4.082 20 10 EICDHM CC[C@@H](NCc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1[O-] ZINC000775511432 1051658035 /nfs/dbraw/zinc/65/80/35/1051658035.db2.gz FPPHGSIVHOPUTA-IINYFYTJSA-N -1 3 340.876 4.450 20 10 EICDHM [O-]c1c(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045662 1051767904 /nfs/dbraw/zinc/76/79/04/1051767904.db2.gz MCNGYDSJYSBZLY-GFCCVEGCSA-N -1 3 339.332 4.328 20 10 EICDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(Cl)cc2OC)c1 ZINC000775578124 1051872971 /nfs/dbraw/zinc/87/29/71/1051872971.db2.gz IAQDHLSPQFFJAF-JTQLQIEISA-N -1 3 335.787 4.014 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CCC2(CC2)CC1 ZINC001183881997 1051913132 /nfs/dbraw/zinc/91/31/32/1051913132.db2.gz CAFWQXLCTGRKMW-UHFFFAOYSA-N -1 3 344.842 4.180 20 10 EICDHM C[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001184512497 1052037394 /nfs/dbraw/zinc/03/73/94/1052037394.db2.gz NZRGBRPDSRCHHA-RYUDHWBXSA-N -1 3 332.831 4.036 20 10 EICDHM CC1(C)CC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001185174013 1052186125 /nfs/dbraw/zinc/18/61/25/1052186125.db2.gz GMWKGDWCNKXQTI-NSHDSACASA-N -1 3 332.831 4.036 20 10 EICDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c2[nH]ccc21 ZINC001168528354 1052617020 /nfs/dbraw/zinc/61/70/20/1052617020.db2.gz UJBXXUXDQRACKO-UHFFFAOYSA-N -1 3 338.798 4.391 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000775648422 1053342263 /nfs/dbraw/zinc/34/22/63/1053342263.db2.gz UFWWBDMFVKZABB-GOSISDBHSA-N -1 3 349.833 4.130 20 10 EICDHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776661221 1053672715 /nfs/dbraw/zinc/67/27/15/1053672715.db2.gz OJMIAPDZWACXLJ-HNNXBMFYSA-N -1 3 329.396 4.011 20 10 EICDHM CC[C@](C)(NCc1c([O-])cccc1Br)c1nccs1 ZINC000858142781 1054423008 /nfs/dbraw/zinc/42/30/08/1054423008.db2.gz MHRZNDJPMKAVFA-AWEZNQCLSA-N -1 3 341.274 4.026 20 10 EICDHM COc1ccc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000858501370 1054503307 /nfs/dbraw/zinc/50/33/07/1054503307.db2.gz LYDIIMRRYZJUSP-QWRGUYRKSA-N -1 3 337.366 4.099 20 10 EICDHM CC1(C)CN(Cc2c([O-])cccc2Br)[C@H]1c1ccncc1 ZINC000862375985 1055056325 /nfs/dbraw/zinc/05/63/25/1055056325.db2.gz FBAMTVGFIORWQD-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877757386 1055115090 /nfs/dbraw/zinc/11/50/90/1055115090.db2.gz WQNPUGTUEIURFN-NSHDSACASA-N -1 3 336.229 4.020 20 10 EICDHM C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(Cl)cc1[O-] ZINC000841755017 1032455892 /nfs/dbraw/zinc/45/58/92/1032455892.db2.gz FSAKARFYAPFWAR-BDJLRTHQSA-N -1 3 330.815 4.170 20 10 EICDHM COC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000279407883 1026417787 /nfs/dbraw/zinc/41/77/87/1026417787.db2.gz DNIRSJHDHQXLJC-ZUZCIYMTSA-N -1 3 341.785 4.362 20 10 EICDHM C[C@@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)cc1[O-] ZINC000279479448 1026447731 /nfs/dbraw/zinc/44/77/31/1026447731.db2.gz KQYYTILPTNETHQ-SFYZADRCSA-N -1 3 334.338 4.418 20 10 EICDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112690 1030247637 /nfs/dbraw/zinc/24/76/37/1030247637.db2.gz DDEOGOBMXACRMW-STQMWFEESA-N -1 3 342.830 4.038 20 10 EICDHM CC[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1[O-] ZINC000375836992 1031331335 /nfs/dbraw/zinc/33/13/35/1031331335.db2.gz FJYWXLZLLUYBDJ-HNNXBMFYSA-N -1 3 343.427 4.291 20 10 EICDHM O=C([O-])C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000272546416 1037222484 /nfs/dbraw/zinc/22/24/84/1037222484.db2.gz YPIPWLMHVGMQGF-GOSISDBHSA-N -1 3 344.480 4.044 20 10 EICDHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccc(F)cc1[O-] ZINC000273351751 1037430230 /nfs/dbraw/zinc/43/02/30/1037430230.db2.gz BVTCCMQJUQASFB-SECBINFHSA-N -1 3 329.293 4.123 20 10 EICDHM C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365926 1037434612 /nfs/dbraw/zinc/43/46/12/1037434612.db2.gz FBTGHVMCPOLKDH-MEBBXXQBSA-N -1 3 348.786 4.128 20 10 EICDHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792179668 1045874227 /nfs/dbraw/zinc/87/42/27/1045874227.db2.gz JUWMKUUYRYVMPG-NSHDSACASA-N -1 3 325.733 4.348 20 10 EICDHM CN(C)c1cc(F)cc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522508 1046569024 /nfs/dbraw/zinc/56/90/24/1046569024.db2.gz TWURPXTWKGAQCG-UHFFFAOYSA-N -1 3 345.805 4.411 20 10 EICDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1C(=O)N(C)C(C)C ZINC000785542176 1046704351 /nfs/dbraw/zinc/70/43/51/1046704351.db2.gz OKEGKAWLVCWIFE-UHFFFAOYSA-N -1 3 346.858 4.447 20 10 EICDHM CC[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159082 1047183215 /nfs/dbraw/zinc/18/32/15/1047183215.db2.gz XIOLWGOUNDZHDN-UONOGXRCSA-N -1 3 339.769 4.498 20 10 EICDHM C[C@H](NCc1cc(F)c(Cl)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788621519 1047252599 /nfs/dbraw/zinc/25/25/99/1047252599.db2.gz YOAGHMJSFMPMAO-QMMMGPOBSA-N -1 3 342.729 4.083 20 10 EICDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])[C@H]1c1cccnc1 ZINC000814171702 1047865075 /nfs/dbraw/zinc/86/50/75/1047865075.db2.gz UTIIVJPMCVHABF-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM CCc1nc([C@H]2CCCCN2Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000824600712 1047890762 /nfs/dbraw/zinc/89/07/62/1047890762.db2.gz BNJVBRWGFVFJLN-CQSZACIVSA-N -1 3 335.835 4.027 20 10 EICDHM COC[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000808453953 1047920512 /nfs/dbraw/zinc/92/05/12/1047920512.db2.gz BPORPVBVKJFYCU-AWEZNQCLSA-N -1 3 344.213 4.315 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045742 1048025064 /nfs/dbraw/zinc/02/50/64/1048025064.db2.gz KGZZMEPCMJBIFS-NSHDSACASA-N -1 3 345.723 4.379 20 10 EICDHM Cc1cc([O-])c(CN[C@H](c2nc(C3CC3)no2)C(C)C)cc1Cl ZINC000825425742 1048090792 /nfs/dbraw/zinc/09/07/92/1048090792.db2.gz JDKXIAOTWCHCQY-HNNXBMFYSA-N -1 3 335.835 4.101 20 10 EICDHM Cc1oc2c(ccc([O-])c2CN(C)CC2CC2)c(=O)c1-c1ccccc1 ZINC000919941960 1048326547 /nfs/dbraw/zinc/32/65/47/1048326547.db2.gz HXTHYPUHXVLVAZ-UHFFFAOYSA-N -1 3 349.430 4.316 20 10 EICDHM CCc1nc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815577812 1048518217 /nfs/dbraw/zinc/51/82/17/1048518217.db2.gz ACCSKIRFQNEHGP-SECBINFHSA-N -1 3 330.375 4.281 20 10 EICDHM C[C@@H](Nc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000815614976 1048542057 /nfs/dbraw/zinc/54/20/57/1048542057.db2.gz FOVVKGCNSSXGHO-SECBINFHSA-N -1 3 325.286 4.313 20 10 EICDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2F)C2CC2)c1[O-] ZINC000748046530 1048700144 /nfs/dbraw/zinc/70/01/44/1048700144.db2.gz ILCDNACUCPPUPJ-UHFFFAOYSA-N -1 3 331.362 4.038 20 10 EICDHM COc1ccc(F)c(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000816612143 1048844204 /nfs/dbraw/zinc/84/42/04/1048844204.db2.gz HNWNJSGTZJBICB-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM [O-]c1c(CNc2ccc3[nH]cnc3c2F)cc(Cl)c2cccnc12 ZINC001168525571 1049656609 /nfs/dbraw/zinc/65/66/09/1049656609.db2.gz GHNVAQCQKYETOB-UHFFFAOYSA-N -1 3 342.761 4.221 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1ccn(-c2ccc(Cl)cc2)n1 ZINC001179049552 1050617961 /nfs/dbraw/zinc/61/79/61/1050617961.db2.gz VCWXJVWBOPWBFB-UHFFFAOYSA-N -1 3 334.206 4.497 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCc3ccccc3C2)c1 ZINC001179844775 1050792904 /nfs/dbraw/zinc/79/29/04/1050792904.db2.gz BVDRMPCEJNKJRJ-UHFFFAOYSA-N -1 3 332.241 4.021 20 10 EICDHM C[C@@H](NCc1ccsc1Br)c1ccc(F)cc1[O-] ZINC000388547734 1050859402 /nfs/dbraw/zinc/85/94/02/1050859402.db2.gz JJWDMXPOWWPJFF-MRVPVSSYSA-N -1 3 330.222 4.206 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN1CCc2cc(-c3ccccc3)oc2C1 ZINC001179963416 1050851298 /nfs/dbraw/zinc/85/12/98/1050851298.db2.gz ZCKJRPOYGYQDRL-UHFFFAOYSA-N -1 3 341.357 4.489 20 10 EICDHM COc1ccc(C[C@@H]2CCN2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117232 1050889548 /nfs/dbraw/zinc/88/95/48/1050889548.db2.gz UXMSUHYNOBRSRD-HNNXBMFYSA-N -1 3 335.806 4.010 20 10 EICDHM COc1ccc([C@@H]2CCCN2Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001180585850 1051045113 /nfs/dbraw/zinc/04/51/13/1051045113.db2.gz OSMCJVYVVARVHV-KRWDZBQOSA-N -1 3 349.377 4.025 20 10 EICDHM [O-]c1c(CNc2cccc3cnncc32)cc(Cl)c2cccnc12 ZINC001168526511 1051055728 /nfs/dbraw/zinc/05/57/28/1051055728.db2.gz XPWFFNFEQIGORP-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM CC[C@H](CC(C)C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181844123 1051330012 /nfs/dbraw/zinc/33/00/12/1051330012.db2.gz WKNAWOHEYVPFJR-GFCCVEGCSA-N -1 3 334.847 4.282 20 10 EICDHM COc1c([O-])c(CNc2cc(C)c(C)cc2Cl)ccc1[N+](=O)[O-] ZINC001181921732 1051354701 /nfs/dbraw/zinc/35/47/01/1051354701.db2.gz SOSIAWDCIPPCFY-UHFFFAOYSA-N -1 3 336.775 4.191 20 10 EICDHM [O-]c1cc(F)c(F)cc1CNCc1nc(-c2ccccc2)cs1 ZINC001182161169 1051408572 /nfs/dbraw/zinc/40/85/72/1051408572.db2.gz OYEXZWQAHANPLU-UHFFFAOYSA-N -1 3 332.375 4.084 20 10 EICDHM CCN(CCOc1ccccc1C)Cc1c([O-])ccc(Cl)c1F ZINC001182469620 1051607552 /nfs/dbraw/zinc/60/75/52/1051607552.db2.gz HMUBKOGFHQUMEW-UHFFFAOYSA-N -1 3 337.822 4.394 20 10 EICDHM CCc1cc(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000775509117 1051648915 /nfs/dbraw/zinc/64/89/15/1051648915.db2.gz HUNHVJZBJZTWQS-ZDUSSCGKSA-N -1 3 329.227 4.490 20 10 EICDHM Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)c3ccccc3c1[O-])N2 ZINC000774547611 1051721953 /nfs/dbraw/zinc/72/19/53/1051721953.db2.gz OVWVMEARTAZTPI-SFHVURJKSA-N -1 3 338.794 4.361 20 10 EICDHM O=C1CCC2(CC1)CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203582140 1051947442 /nfs/dbraw/zinc/94/74/42/1051947442.db2.gz SBVDIRIARMCBLG-UHFFFAOYSA-N -1 3 342.266 4.424 20 10 EICDHM [O-]c1c(CNc2nccc3ccncc32)cc(Cl)c2cccnc12 ZINC001168526989 1052318921 /nfs/dbraw/zinc/31/89/21/1052318921.db2.gz AONRWEWICUDVKR-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM COc1ccnc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1F ZINC000850537641 1053300734 /nfs/dbraw/zinc/30/07/34/1053300734.db2.gz WICLXIFTSBFWNH-QMMMGPOBSA-N -1 3 345.201 4.093 20 10 EICDHM O=C(Nc1ncccc1[O-])c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195261071 1053351621 /nfs/dbraw/zinc/35/16/21/1053351621.db2.gz COTLJAODYDDROF-QURGRASLSA-N -1 3 334.335 4.161 20 10 EICDHM C[C@H](NCc1ncc(Cl)s1)c1ccc(Br)cc1[O-] ZINC000872114892 1054394569 /nfs/dbraw/zinc/39/45/69/1054394569.db2.gz DDORKYUXGCESKE-ZETCQYMHSA-N -1 3 347.665 4.115 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014795 1054439849 /nfs/dbraw/zinc/43/98/49/1054439849.db2.gz QGEAOWQBHBYSDJ-IBGZPJMESA-N -1 3 347.817 4.206 20 10 EICDHM [O-]c1c(Cl)cccc1CNCc1cc(F)ccc1Br ZINC000124718066 1054597870 /nfs/dbraw/zinc/59/78/70/1054597870.db2.gz MRTNLLLRQCPMSA-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM CC1(C)CN(Cc2c([O-])cccc2Br)[C@@H]1c1cccnc1 ZINC000862373259 1055056541 /nfs/dbraw/zinc/05/65/41/1055056541.db2.gz CTZCNCOKJAIPLD-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000745979548 1059948554 /nfs/dbraw/zinc/94/85/54/1059948554.db2.gz VQWLFLMTYQNMRW-UHFFFAOYSA-N -1 3 333.453 4.189 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cncc(Cl)c2C)c1 ZINC001182098712 1051397500 /nfs/dbraw/zinc/39/75/00/1051397500.db2.gz HUOKVALMJDJSRN-UHFFFAOYSA-N -1 3 341.636 4.432 20 10 EICDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000376788916 1023311938 /nfs/dbraw/zinc/31/19/38/1023311938.db2.gz UFNPFQZDWCCIPS-UONOGXRCSA-N -1 3 325.387 4.129 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000781892873 1023325762 /nfs/dbraw/zinc/32/57/62/1023325762.db2.gz FWKUUJRETDJBLW-OAHLLOKOSA-N -1 3 335.245 4.128 20 10 EICDHM COCC[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000276892905 1024673879 /nfs/dbraw/zinc/67/38/79/1024673879.db2.gz IBCIXMBJMZGSDX-BXUZGUMPSA-N -1 3 325.355 4.000 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C)c1[O-] ZINC001167544834 1026075137 /nfs/dbraw/zinc/07/51/37/1026075137.db2.gz WVFDABJWPAXKAW-LBPRGKRZSA-N -1 3 329.827 4.195 20 10 EICDHM C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185235859 1030133539 /nfs/dbraw/zinc/13/35/39/1030133539.db2.gz CFWQIUQJOBVHJH-SJKOYZFVSA-N -1 3 328.412 4.428 20 10 EICDHM COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000170789195 1036831532 /nfs/dbraw/zinc/83/15/32/1036831532.db2.gz HMFXGKQGIINIGE-VIFPVBQESA-N -1 3 327.302 4.314 20 10 EICDHM Cc1nc(Br)ccc1NCc1c([O-])cccc1Cl ZINC000230722279 1038239667 /nfs/dbraw/zinc/23/96/67/1038239667.db2.gz KLJNSSWLMYBHQP-UHFFFAOYSA-N -1 3 327.609 4.124 20 10 EICDHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1 ZINC000729512321 1042904704 /nfs/dbraw/zinc/90/47/04/1042904704.db2.gz JAACOQWKWLVEDP-UHFFFAOYSA-N -1 3 340.467 4.073 20 10 EICDHM O=C(c1cccc(O)c1[O-])N(Cc1cccs1)Cc1cccs1 ZINC000186788982 1045252687 /nfs/dbraw/zinc/25/26/87/1045252687.db2.gz HOYUIIDMFOSYTO-UHFFFAOYSA-N -1 3 345.445 4.063 20 10 EICDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc2ccccc2c1)C1CC1 ZINC000790576881 1045545870 /nfs/dbraw/zinc/54/58/70/1045545870.db2.gz MGSZXQHGZQGJJK-UHFFFAOYSA-N -1 3 333.387 4.056 20 10 EICDHM O=C(Nc1cccc(N2CCCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000792063303 1045852666 /nfs/dbraw/zinc/85/26/66/1045852666.db2.gz LNXQREDKKUUTJY-UHFFFAOYSA-N -1 3 332.403 4.398 20 10 EICDHM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000768919915 1045860433 /nfs/dbraw/zinc/86/04/33/1045860433.db2.gz ZVRZSBZPGDHXGF-QGZVFWFLSA-N -1 3 341.842 4.269 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000792156418 1045867995 /nfs/dbraw/zinc/86/79/95/1045867995.db2.gz CVDQUYGOPNATRC-UHFFFAOYSA-N -1 3 333.790 4.180 20 10 EICDHM [O-]c1ccc(Br)cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000769509396 1046004011 /nfs/dbraw/zinc/00/40/11/1046004011.db2.gz XWRYZDVWSYIATP-OAHLLOKOSA-N -1 3 336.204 4.241 20 10 EICDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000769995132 1046125744 /nfs/dbraw/zinc/12/57/44/1046125744.db2.gz ZGGGVHPZUUOKOS-UHFFFAOYSA-N -1 3 327.424 4.274 20 10 EICDHM Cc1nc(-c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000794130046 1046373820 /nfs/dbraw/zinc/37/38/20/1046373820.db2.gz PPZVEUXYLQGEHE-UHFFFAOYSA-N -1 3 340.404 4.090 20 10 EICDHM [O-]c1c(CNc2ccc(C3CC3)cn2)cc(Cl)c2cccnc12 ZINC001168522229 1046431087 /nfs/dbraw/zinc/43/10/87/1046431087.db2.gz BNPVYTJPFOOFCD-UHFFFAOYSA-N -1 3 325.799 4.478 20 10 EICDHM CCNC(=O)c1ccc(C)c(N[C@H](CC)c2ccc(F)cc2[O-])c1 ZINC000796906284 1046915884 /nfs/dbraw/zinc/91/58/84/1046915884.db2.gz UWGBNUKSCWPXIE-MRXNPFEDSA-N -1 3 330.403 4.153 20 10 EICDHM CC[C@H](NCc1cccnc1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129328 1047150939 /nfs/dbraw/zinc/15/09/39/1047150939.db2.gz DVOAWUFILYJRPY-AWEZNQCLSA-N -1 3 341.238 4.344 20 10 EICDHM C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000806176210 1047178299 /nfs/dbraw/zinc/17/82/99/1047178299.db2.gz JNXQUTJUXHKIAF-QWHCGFSZSA-N -1 3 343.377 4.268 20 10 EICDHM COC[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccc(C)o1 ZINC000788607745 1047245228 /nfs/dbraw/zinc/24/52/28/1047245228.db2.gz CGYKRLVOLWOJJV-SMDDNHRTSA-N -1 3 343.345 4.351 20 10 EICDHM C[C@@H](NCc1nn(C)c2ccccc12)c1cccc(C(F)(F)F)c1[O-] ZINC000788752441 1047283782 /nfs/dbraw/zinc/28/37/82/1047283782.db2.gz WADSEOYEEDLTGF-LLVKDONJSA-N -1 3 349.356 4.149 20 10 EICDHM [O-]c1ccc(F)c(CN(Cc2ccco2)Cc2ccccc2O)c1F ZINC000788840644 1047321899 /nfs/dbraw/zinc/32/18/99/1047321899.db2.gz POQSQRGDSSODCW-UHFFFAOYSA-N -1 3 345.345 4.171 20 10 EICDHM CC[C@H](NCc1ccc(F)cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806143288 1047334763 /nfs/dbraw/zinc/33/47/63/1047334763.db2.gz IUBFHIKXDZAPMK-AWEZNQCLSA-N -1 3 329.202 4.474 20 10 EICDHM CC[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(F)cc1[O-] ZINC000796922576 1047383428 /nfs/dbraw/zinc/38/34/28/1047383428.db2.gz HQPTWWQTNSNUGY-AWEZNQCLSA-N -1 3 329.375 4.302 20 10 EICDHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000790068668 1047508949 /nfs/dbraw/zinc/50/89/49/1047508949.db2.gz QZJXNZCEFCNMOI-UHFFFAOYSA-N -1 3 343.807 4.109 20 10 EICDHM Cc1cc(Br)c([O-])c(CNC2(C(F)F)CCCC2)c1 ZINC000808451104 1047914705 /nfs/dbraw/zinc/91/47/05/1047914705.db2.gz HASLOOBDCDCFJB-UHFFFAOYSA-N -1 3 334.204 4.131 20 10 EICDHM [O-]c1c(Cl)cccc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045459 1048024121 /nfs/dbraw/zinc/02/41/21/1048024121.db2.gz FEWFLOFUIMUBDG-GFCCVEGCSA-N -1 3 327.733 4.240 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2cccnc2)CC1 ZINC000809737983 1048509502 /nfs/dbraw/zinc/50/95/02/1048509502.db2.gz OPJVXXSRTMYVRS-UHFFFAOYSA-N -1 3 337.250 4.474 20 10 EICDHM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607194 1048557996 /nfs/dbraw/zinc/55/79/96/1048557996.db2.gz SAELMJYKMSKHRJ-QMMMGPOBSA-N -1 3 335.276 4.046 20 10 EICDHM C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815608249 1048558396 /nfs/dbraw/zinc/55/83/96/1048558396.db2.gz VQAZDCZCDSWQCW-LLVKDONJSA-N -1 3 348.328 4.165 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CC(F)C2)CC1 ZINC001144292285 1048569301 /nfs/dbraw/zinc/56/93/01/1048569301.db2.gz AOYKLXNBLGCZNB-UHFFFAOYSA-N -1 3 346.215 4.008 20 10 EICDHM CCc1nnc(CN[C@H](CC)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000810260810 1048712312 /nfs/dbraw/zinc/71/23/12/1048712312.db2.gz QIRPLTLGJFZMQM-LLVKDONJSA-N -1 3 345.390 4.066 20 10 EICDHM CC1CCN(c2ccc(CNCc3c(F)ccc([O-])c3F)cc2)CC1 ZINC000816548562 1048828214 /nfs/dbraw/zinc/82/82/14/1048828214.db2.gz LNAZUMMIWFTGAJ-UHFFFAOYSA-N -1 3 346.421 4.197 20 10 EICDHM CC(C)(C)Oc1cccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816559564 1048835008 /nfs/dbraw/zinc/83/50/08/1048835008.db2.gz NVGXCHPTZILICM-UHFFFAOYSA-N -1 3 338.810 4.047 20 10 EICDHM CN(Cc1cc(Br)ccc1[O-])Cc1c(F)cccc1F ZINC000816651384 1048847822 /nfs/dbraw/zinc/84/78/22/1048847822.db2.gz FBHSJOZHWUYKFG-UHFFFAOYSA-N -1 3 342.183 4.065 20 10 EICDHM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148219186 1049278762 /nfs/dbraw/zinc/27/87/62/1049278762.db2.gz WBOJQWKCADFOGD-UHFFFAOYSA-N -1 3 349.386 4.162 20 10 EICDHM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1cccc(O)c1[O-] ZINC001148212199 1049279153 /nfs/dbraw/zinc/27/91/53/1049279153.db2.gz QMCDLBMIFWDBKP-UHFFFAOYSA-N -1 3 340.766 4.066 20 10 EICDHM Cc1ccc(C(=O)Nc2ncc(-c3ccccc3C)s2)c([O-])c1O ZINC001148631333 1049350736 /nfs/dbraw/zinc/35/07/36/1049350736.db2.gz HTXFQGXURCIKNJ-UHFFFAOYSA-N -1 3 340.404 4.090 20 10 EICDHM [O-]c1c(Br)cccc1CNc1cc2c(cn1)CCCC2 ZINC000812345518 1049446797 /nfs/dbraw/zinc/44/67/97/1049446797.db2.gz CFANKKGFNLPCEC-UHFFFAOYSA-N -1 3 333.229 4.041 20 10 EICDHM Cc1ccoc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000813882607 1049830891 /nfs/dbraw/zinc/83/08/91/1049830891.db2.gz FACCNVLMBGELRV-VIFPVBQESA-N -1 3 328.181 4.046 20 10 EICDHM COc1ccc(C[C@H]2CCN2Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180117233 1050890906 /nfs/dbraw/zinc/89/09/06/1050890906.db2.gz UXMSUHYNOBRSRD-OAHLLOKOSA-N -1 3 335.806 4.010 20 10 EICDHM CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574219 1051875863 /nfs/dbraw/zinc/87/58/63/1051875863.db2.gz OJSOHHMRDMNUDV-APPDUMDISA-N -1 3 349.377 4.244 20 10 EICDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c2ccccc12 ZINC001193862758 1052019967 /nfs/dbraw/zinc/01/99/67/1052019967.db2.gz FGJDOMMHHSZBQQ-UHFFFAOYSA-N -1 3 341.432 4.271 20 10 EICDHM CCc1cnc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528666 1052634137 /nfs/dbraw/zinc/63/41/37/1052634137.db2.gz YETAZQKOHFWXNK-UHFFFAOYSA-N -1 3 349.221 4.212 20 10 EICDHM CCN(Cc1ccccc1)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764442313 1053106978 /nfs/dbraw/zinc/10/69/78/1053106978.db2.gz NRJOPENAMUTBTM-RAXLEYEMSA-N -1 3 331.419 4.379 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000775679339 1053555324 /nfs/dbraw/zinc/55/53/24/1053555324.db2.gz XSGYTDCWIKPFSA-QGZVFWFLSA-N -1 3 335.806 4.148 20 10 EICDHM CC(C)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000776604724 1053591863 /nfs/dbraw/zinc/59/18/63/1053591863.db2.gz WFXDYEINSFETKM-UHFFFAOYSA-N -1 3 325.408 4.026 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cccc2ccccc21 ZINC000776634592 1053624278 /nfs/dbraw/zinc/62/42/78/1053624278.db2.gz AGFVDBTXKLPPDJ-GOSISDBHSA-N -1 3 333.387 4.228 20 10 EICDHM C[C@@H](NCc1ncc(Br)s1)c1cc(Cl)ccc1[O-] ZINC000866619357 1053808784 /nfs/dbraw/zinc/80/87/84/1053808784.db2.gz BLOITKDNZNQPBV-SSDOTTSWSA-N -1 3 347.665 4.115 20 10 EICDHM C[C@@H](Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)c1ccc(F)cc1[O-] ZINC000866624112 1053810649 /nfs/dbraw/zinc/81/06/49/1053810649.db2.gz ABRJYRAJSFCXSW-LLVKDONJSA-N -1 3 344.386 4.062 20 10 EICDHM CC(=O)c1ccc(N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC001197298683 1053869236 /nfs/dbraw/zinc/86/92/36/1053869236.db2.gz ZXXKNCBRARDVCM-UHFFFAOYSA-N -1 3 331.799 4.087 20 10 EICDHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014470 1054438626 /nfs/dbraw/zinc/43/86/26/1054438626.db2.gz RWTWACPWQSLWBF-LDYMZIIASA-N -1 3 325.733 4.348 20 10 EICDHM C[C@H]1CC(=O)N(C)c2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000858310915 1054460337 /nfs/dbraw/zinc/46/03/37/1054460337.db2.gz BEXKIWHZKHZAHW-NSHDSACASA-N -1 3 330.815 4.128 20 10 EICDHM Nc1ccc(CCc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)cc1 ZINC001201221919 1054730189 /nfs/dbraw/zinc/73/01/89/1054730189.db2.gz FUNVKBPPUKZQCD-UHFFFAOYSA-N -1 3 349.390 4.411 20 10 EICDHM COc1ccccc1[C@@H](NCc1cc(F)ccc1[O-])c1ccco1 ZINC000180931475 1032631777 /nfs/dbraw/zinc/63/17/77/1032631777.db2.gz OBRLOUCQDLCHEA-LJQANCHMSA-N -1 3 327.355 4.012 20 10 EICDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000376788910 1023312664 /nfs/dbraw/zinc/31/26/64/1023312664.db2.gz UFNPFQZDWCCIPS-KBPBESRZSA-N -1 3 325.387 4.129 20 10 EICDHM CCNC(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1C ZINC000278684611 1029687132 /nfs/dbraw/zinc/68/71/32/1029687132.db2.gz GLZDZJQAKDSDGW-GFCCVEGCSA-N -1 3 331.391 4.154 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])c(OC)cc1Cl ZINC000170788761 1036843410 /nfs/dbraw/zinc/84/34/10/1036843410.db2.gz BWBUVAYYFDDUKV-SECBINFHSA-N -1 3 325.767 4.375 20 10 EICDHM COCC[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC000272414054 1037184478 /nfs/dbraw/zinc/18/44/78/1037184478.db2.gz CKPIIBQKCWIYPC-ZDUSSCGKSA-N -1 3 330.211 4.159 20 10 EICDHM COCCc1nc2cc(N[C@@H](C)c3ccc(F)cc3[O-])ccc2o1 ZINC000273521437 1037493363 /nfs/dbraw/zinc/49/33/63/1037493363.db2.gz UIPQQEODVUXQHR-NSHDSACASA-N -1 3 330.359 4.035 20 10 EICDHM CC[C@](C)(NCc1cccc(Br)c1[O-])c1nccs1 ZINC000152611017 1042920576 /nfs/dbraw/zinc/92/05/76/1042920576.db2.gz ULMWMCFEZALUOE-AWEZNQCLSA-N -1 3 341.274 4.026 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)c(C)c1O ZINC000187059921 1044894426 /nfs/dbraw/zinc/89/44/26/1044894426.db2.gz DRDWXWKRAMZHQQ-UHFFFAOYSA-N -1 3 341.432 4.271 20 10 EICDHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1-c1cccc(C)c1 ZINC000762316653 1045178333 /nfs/dbraw/zinc/17/83/33/1045178333.db2.gz NSCOKCDBLMFSLV-UHFFFAOYSA-N -1 3 338.382 4.500 20 10 EICDHM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc([O-])c1F ZINC000762319899 1045181728 /nfs/dbraw/zinc/18/17/28/1045181728.db2.gz DNBIKDJBURSCEZ-UHFFFAOYSA-N -1 3 330.384 4.253 20 10 EICDHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740701187 1045210384 /nfs/dbraw/zinc/21/03/84/1045210384.db2.gz YZQGZXXCJDFEAF-UHFFFAOYSA-N -1 3 349.452 4.070 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(Cl)cc2c1OCC2 ZINC000790986870 1045644084 /nfs/dbraw/zinc/64/40/84/1045644084.db2.gz YGFRTCZPTAGVNK-UHFFFAOYSA-N -1 3 342.197 4.063 20 10 EICDHM O=[N+]([O-])c1ccc(CN(Cc2c([O-])cccc2Cl)C2CC2)cc1 ZINC000768337574 1045792102 /nfs/dbraw/zinc/79/21/02/1045792102.db2.gz UNVGCMFGLVPFLT-UHFFFAOYSA-N -1 3 332.787 4.118 20 10 EICDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c([O-])c1O ZINC000769314846 1045918034 /nfs/dbraw/zinc/91/80/34/1045918034.db2.gz PXUYBCHVNMTHCS-GOSISDBHSA-N -1 3 345.398 4.199 20 10 EICDHM CC[C@H](N[C@H](C)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000786974087 1046886369 /nfs/dbraw/zinc/88/63/69/1046886369.db2.gz MIWGPJWXGDDXOO-HQJQHLMTSA-N -1 3 326.156 4.146 20 10 EICDHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(Cl)ccc1[O-] ZINC000917499350 1046912331 /nfs/dbraw/zinc/91/23/31/1046912331.db2.gz DKFIQYBLXYWDFV-OAHLLOKOSA-N -1 3 337.206 4.285 20 10 EICDHM CC[C@H](Nc1cnn(-c2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000806155413 1047180700 /nfs/dbraw/zinc/18/07/00/1047180700.db2.gz QSACOVZPBWYGCP-INIZCTEOSA-N -1 3 328.803 4.190 20 10 EICDHM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000806661868 1047347486 /nfs/dbraw/zinc/34/74/86/1047347486.db2.gz FVTDRVHCKNLGRI-JMCQJSRRSA-N -1 3 338.167 4.146 20 10 EICDHM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000806661871 1047347643 /nfs/dbraw/zinc/34/76/43/1047347643.db2.gz FVTDRVHCKNLGRI-KRTXAFLBSA-N -1 3 338.167 4.146 20 10 EICDHM COc1ccc(CNCc2cccc(Cl)c2[O-])c(Cl)c1OC ZINC000898218427 1047570045 /nfs/dbraw/zinc/57/00/45/1047570045.db2.gz HALHKMFSZQQSMF-UHFFFAOYSA-N -1 3 342.222 4.006 20 10 EICDHM COCc1ccccc1NCc1cc(C)cc(Br)c1[O-] ZINC000824998407 1048006090 /nfs/dbraw/zinc/00/60/90/1048006090.db2.gz PVMOLVNTPTXKRM-UHFFFAOYSA-N -1 3 336.229 4.222 20 10 EICDHM COC[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000809792719 1048536595 /nfs/dbraw/zinc/53/65/95/1048536595.db2.gz FFUHURIMLBWROF-OAHLLOKOSA-N -1 3 344.213 4.315 20 10 EICDHM C[C@]1(F)CCCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298563 1048573239 /nfs/dbraw/zinc/57/32/39/1048573239.db2.gz GSJMZSLDYOIPQM-AWEZNQCLSA-N -1 3 334.204 4.008 20 10 EICDHM CC(=O)c1cc(F)cc(CN(Cc2cccc(F)c2)C2CC2)c1[O-] ZINC000748050536 1048736549 /nfs/dbraw/zinc/73/65/49/1048736549.db2.gz GMTROROBZMAAJV-UHFFFAOYSA-N -1 3 331.362 4.038 20 10 EICDHM CN(Cc1ccn(-c2ccccc2)n1)Cc1ccc2ccccc2c1[O-] ZINC000816493412 1048814918 /nfs/dbraw/zinc/81/49/18/1048814918.db2.gz ADFUTGIVQPOVCJ-UHFFFAOYSA-N -1 3 343.430 4.363 20 10 EICDHM Cc1scc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001147530040 1049182516 /nfs/dbraw/zinc/18/25/16/1049182516.db2.gz CVBUAQBNPISXHG-UHFFFAOYSA-N -1 3 346.839 4.202 20 10 EICDHM Cc1ccccc1-c1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586908 1049341005 /nfs/dbraw/zinc/34/10/05/1049341005.db2.gz ZNIGKAQREHOTNQ-UHFFFAOYSA-N -1 3 335.359 4.031 20 10 EICDHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cccc(O)c1[O-] ZINC001136578552 1049757388 /nfs/dbraw/zinc/75/73/88/1049757388.db2.gz PFZZVRQWCRNCSB-QGZVFWFLSA-N -1 3 341.451 4.361 20 10 EICDHM CC[C@H](C)Oc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774926516 1050160544 /nfs/dbraw/zinc/16/05/44/1050160544.db2.gz IOQIQMPLCRJQEM-LBPRGKRZSA-N -1 3 346.383 4.098 20 10 EICDHM CCCOc1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774927061 1050160923 /nfs/dbraw/zinc/16/09/23/1050160923.db2.gz CCBFFLYDIZJJRV-UHFFFAOYSA-N -1 3 346.383 4.018 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000775137840 1050593669 /nfs/dbraw/zinc/59/36/69/1050593669.db2.gz QVMYFNHRLXDLSX-MRVPVSSYSA-N -1 3 328.161 4.473 20 10 EICDHM CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(F)c(F)c2[O-])s1 ZINC001179905742 1050829965 /nfs/dbraw/zinc/82/99/65/1050829965.db2.gz NVPVQXNDDWBXNB-SNVBAGLBSA-N -1 3 326.412 4.191 20 10 EICDHM Cc1ccc(OC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001179983902 1050839498 /nfs/dbraw/zinc/83/94/98/1050839498.db2.gz IJMKQFWVENCRHR-UHFFFAOYSA-N -1 3 333.378 4.022 20 10 EICDHM Cc1cccc(Oc2cccc(NC(=O)c3cccc(O)c3[O-])c2)c1 ZINC001174919514 1051248874 /nfs/dbraw/zinc/24/88/74/1051248874.db2.gz HHGOWIRMGXATED-UHFFFAOYSA-N -1 3 335.359 4.451 20 10 EICDHM CC[C@@H](CC(C)C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181844124 1051329651 /nfs/dbraw/zinc/32/96/51/1051329651.db2.gz WKNAWOHEYVPFJR-LBPRGKRZSA-N -1 3 334.847 4.282 20 10 EICDHM C[C@H](NCc1cn2ccsc2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774149963 1051483100 /nfs/dbraw/zinc/48/31/00/1051483100.db2.gz ZMCUPNPZLIQRND-QMMMGPOBSA-N -1 3 342.251 4.259 20 10 EICDHM C[C@@H](Nc1cnn(C)c1C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354181 1051575047 /nfs/dbraw/zinc/57/50/47/1051575047.db2.gz CUAVUJBQMGXFQR-MRVPVSSYSA-N -1 3 326.227 4.483 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCSC[C@H]2C(C)(C)C)c1[O-] ZINC001175700457 1051709159 /nfs/dbraw/zinc/70/91/59/1051709159.db2.gz YSFAFNWETIADHU-HNNXBMFYSA-N -1 3 341.904 4.212 20 10 EICDHM [O-]c1c(Cl)cccc1CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001182977552 1051764921 /nfs/dbraw/zinc/76/49/21/1051764921.db2.gz GMLOILZWENBECJ-MRXNPFEDSA-N -1 3 339.826 4.008 20 10 EICDHM C[C@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783949 1051900093 /nfs/dbraw/zinc/90/00/93/1051900093.db2.gz MONPPGFSHGGLBP-QMMMGPOBSA-N -1 3 338.167 4.015 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)ccc1O ZINC001194161386 1052092230 /nfs/dbraw/zinc/09/22/30/1052092230.db2.gz BGQOERCZOUDLAS-UHFFFAOYSA-N -1 3 345.445 4.230 20 10 EICDHM CCCCCCOC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194197385 1052104364 /nfs/dbraw/zinc/10/43/64/1052104364.db2.gz XMKLDRVZYJZXPJ-UHFFFAOYSA-N -1 3 336.819 4.400 20 10 EICDHM CCc1nc(Cl)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528631 1052629184 /nfs/dbraw/zinc/62/91/84/1052629184.db2.gz XASCYLBPFGIRQI-UHFFFAOYSA-N -1 3 349.221 4.212 20 10 EICDHM C[C@H](NCc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000850569937 1053323127 /nfs/dbraw/zinc/32/31/27/1053323127.db2.gz NVBZNBHYUNIOLA-QMMMGPOBSA-N -1 3 347.283 4.262 20 10 EICDHM COc1ccc(OC)c([C@H]2CCCN2Cc2cccc(Cl)c2[O-])c1 ZINC000775644851 1053333237 /nfs/dbraw/zinc/33/32/37/1053333237.db2.gz WAXYJPNWFJZQTI-QGZVFWFLSA-N -1 3 347.842 4.400 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ccccn3)C2)c1[O-] ZINC000852087402 1053548670 /nfs/dbraw/zinc/54/86/70/1053548670.db2.gz JNDFAQYTFSYJLU-CQSZACIVSA-N -1 3 344.842 4.023 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ccccn3)C2)c1[O-] ZINC000852087400 1053549249 /nfs/dbraw/zinc/54/92/49/1053549249.db2.gz JNDFAQYTFSYJLU-AWEZNQCLSA-N -1 3 344.842 4.023 20 10 EICDHM CC[C@](C)(NCc1cc(Cl)cc(F)c1[O-])c1nc(C)cs1 ZINC000776177277 1054803324 /nfs/dbraw/zinc/80/33/24/1054803324.db2.gz LXJHNLOPZFIYGL-HNNXBMFYSA-N -1 3 328.840 4.365 20 10 EICDHM CC(C)[C@@H](NCc1ccc(F)c(F)c1[O-])c1nc2ccccc2[nH]1 ZINC000876986240 1054994109 /nfs/dbraw/zinc/99/41/09/1054994109.db2.gz ZXFLFYUWWZYWLS-MRXNPFEDSA-N -1 3 331.366 4.034 20 10 EICDHM C[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(Cl)cc1[O-] ZINC000841755019 1032455178 /nfs/dbraw/zinc/45/51/78/1032455178.db2.gz FSAKARFYAPFWAR-MEDUHNTESA-N -1 3 330.815 4.170 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000781892867 1023325631 /nfs/dbraw/zinc/32/56/31/1023325631.db2.gz FWKUUJRETDJBLW-HNNXBMFYSA-N -1 3 335.245 4.128 20 10 EICDHM CCCc1ncc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])o1 ZINC000834899153 1023355515 /nfs/dbraw/zinc/35/55/15/1023355515.db2.gz IQWWECWAYLJIGO-SECBINFHSA-N -1 3 329.227 4.490 20 10 EICDHM C[C@@H](Nc1cccc(CCO)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834914814 1023413352 /nfs/dbraw/zinc/41/33/52/1023413352.db2.gz WOAFZSAELJQHPO-SNVBAGLBSA-N -1 3 326.223 4.407 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000377690467 1023690470 /nfs/dbraw/zinc/69/04/70/1023690470.db2.gz GOCIIGGLBLGLEW-HNNXBMFYSA-N -1 3 347.846 4.423 20 10 EICDHM CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000277472320 1026129746 /nfs/dbraw/zinc/12/97/46/1026129746.db2.gz RQTROSRALJJMSW-RKDXNWHRSA-N -1 3 343.258 4.181 20 10 EICDHM O=C1/C(=C\c2ccc([O-])c(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000158731627 1026948185 /nfs/dbraw/zinc/94/81/85/1026948185.db2.gz JZPRAPNTPKUCFN-RIYZIHGNSA-N -1 3 349.383 4.076 20 10 EICDHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278160499 1028340225 /nfs/dbraw/zinc/34/02/25/1028340225.db2.gz AWSHSAREKOXCGT-DTWKUNHWSA-N -1 3 343.258 4.352 20 10 EICDHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185234965 1030132899 /nfs/dbraw/zinc/13/28/99/1030132899.db2.gz HGVOSEMQPNKVAX-SJCJKPOMSA-N -1 3 328.412 4.428 20 10 EICDHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185235825 1030135194 /nfs/dbraw/zinc/13/51/94/1030135194.db2.gz CFWQIUQJOBVHJH-PXAZEXFGSA-N -1 3 328.412 4.428 20 10 EICDHM COc1cc(OC)c(N[C@@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000170788781 1036842927 /nfs/dbraw/zinc/84/29/27/1036842927.db2.gz BAVCRSJMLQAGCQ-VIFPVBQESA-N -1 3 325.767 4.375 20 10 EICDHM Cc1cc(N(C)C)cc(C)c1NCc1cccc(Br)c1[O-] ZINC000760635162 1037916591 /nfs/dbraw/zinc/91/65/91/1037916591.db2.gz YNXIHVPXMJPYQN-UHFFFAOYSA-N -1 3 349.272 4.450 20 10 EICDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2oc3ccccc3c2c1 ZINC000914746252 1044727294 /nfs/dbraw/zinc/72/72/94/1044727294.db2.gz LCLWRZZNUZSZDP-UHFFFAOYSA-N -1 3 339.372 4.092 20 10 EICDHM Cc1ccc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c([O-])c1O ZINC000762670005 1045329635 /nfs/dbraw/zinc/32/96/35/1045329635.db2.gz AJWIFJLDJKCXJO-UHFFFAOYSA-N -1 3 341.382 4.018 20 10 EICDHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792179667 1045874584 /nfs/dbraw/zinc/87/45/84/1045874584.db2.gz JUWMKUUYRYVMPG-LLVKDONJSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000769474855 1045991109 /nfs/dbraw/zinc/99/11/09/1045991109.db2.gz SKZKNWJFLGBSMJ-XIKOKIGWSA-N -1 3 335.806 4.147 20 10 EICDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000769476226 1045991377 /nfs/dbraw/zinc/99/13/77/1045991377.db2.gz XHAWURJDMNEAKV-XIKOKIGWSA-N -1 3 335.806 4.147 20 10 EICDHM Cn1cccc1[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000769536771 1046012267 /nfs/dbraw/zinc/01/22/67/1046012267.db2.gz FKNAITWCSBOVQP-INIZCTEOSA-N -1 3 349.272 4.220 20 10 EICDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000769538306 1046013101 /nfs/dbraw/zinc/01/31/01/1046013101.db2.gz COKRTZPKGKUZDQ-WBMJQRKESA-N -1 3 332.241 4.348 20 10 EICDHM [O-]c1c(CNc2cccc(C3COC3)c2)cc(Cl)c2cccnc12 ZINC001168522915 1046715365 /nfs/dbraw/zinc/71/53/65/1046715365.db2.gz KNVSTNXBFXGZEQ-UHFFFAOYSA-N -1 3 340.810 4.320 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cccc(Cl)n2)c1 ZINC000785720260 1046738789 /nfs/dbraw/zinc/73/87/89/1046738789.db2.gz QLRHCVMPKVKEJQ-UHFFFAOYSA-N -1 3 327.609 4.124 20 10 EICDHM CCc1cnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788607056 1047246012 /nfs/dbraw/zinc/24/60/12/1047246012.db2.gz BTWUPWFPQQRKAO-VIFPVBQESA-N -1 3 330.375 4.281 20 10 EICDHM C[C@H](Nc1cnn(CC2CC2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788708742 1047274382 /nfs/dbraw/zinc/27/43/82/1047274382.db2.gz AFKAZPQGIRJVBX-JTQLQIEISA-N -1 3 325.334 4.191 20 10 EICDHM [O-]c1c(CNc2cnc3ccoc3c2)cc(Cl)c2cccnc12 ZINC001168523647 1047400197 /nfs/dbraw/zinc/40/01/97/1047400197.db2.gz QMUPNRPWNVUGBY-UHFFFAOYSA-N -1 3 325.755 4.347 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CNCc1cc(F)c(Cl)cc1F ZINC000789769300 1047470227 /nfs/dbraw/zinc/47/02/27/1047470227.db2.gz NRNBUECTZRTECV-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM [O-]c1cc(F)c(F)cc1CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC001142527508 1047527218 /nfs/dbraw/zinc/52/72/18/1047527218.db2.gz XJKRZKHXVHQCKR-UHFFFAOYSA-N -1 3 343.295 4.248 20 10 EICDHM [O-]c1c(CNc2cccc3ocnc32)cc(Cl)c2cccnc12 ZINC001168524005 1047555137 /nfs/dbraw/zinc/55/51/37/1047555137.db2.gz UVAATNCJJAZLTJ-UHFFFAOYSA-N -1 3 325.755 4.347 20 10 EICDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cnn(CC2CCC2)c1 ZINC000898178673 1047573908 /nfs/dbraw/zinc/57/39/08/1047573908.db2.gz DGOHYRBBJJTNOX-NSHDSACASA-N -1 3 337.826 4.032 20 10 EICDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000790416392 1047584725 /nfs/dbraw/zinc/58/47/25/1047584725.db2.gz VYIOQZICPLWGOA-CYBMUJFWSA-N -1 3 333.453 4.269 20 10 EICDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])[C@@H]1c1cccnc1 ZINC000814171703 1047865397 /nfs/dbraw/zinc/86/53/97/1047865397.db2.gz UTIIVJPMCVHABF-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2ccncc2)CC1 ZINC000809730258 1048481641 /nfs/dbraw/zinc/48/16/41/1048481641.db2.gz HFMYITOSNFIGRA-UHFFFAOYSA-N -1 3 337.250 4.474 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2c2ccccc2)c1[O-] ZINC000748049743 1048710317 /nfs/dbraw/zinc/71/03/17/1048710317.db2.gz QAKUHWDTJFZSMX-GOSISDBHSA-N -1 3 345.439 4.024 20 10 EICDHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589008 1048831985 /nfs/dbraw/zinc/83/19/85/1048831985.db2.gz IPCVONFFEQEXHY-LBPRGKRZSA-N -1 3 325.733 4.348 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1c(F)cccc1OC(F)F ZINC000816553737 1048833465 /nfs/dbraw/zinc/83/34/65/1048833465.db2.gz FSBFMXHVUMMHTD-UHFFFAOYSA-N -1 3 349.711 4.215 20 10 EICDHM Cc1cnc([C@H](NCc2cc(Cl)c(F)cc2[O-])C2CC2)s1 ZINC000816554398 1048834525 /nfs/dbraw/zinc/83/45/25/1048834525.db2.gz XREOFUBPBDENSN-CQSZACIVSA-N -1 3 326.824 4.191 20 10 EICDHM COCc1ccc([C@@H]2CCCN2Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816570862 1048838774 /nfs/dbraw/zinc/83/87/74/1048838774.db2.gz JTDNSHQLTIWHQK-HNNXBMFYSA-N -1 3 339.794 4.261 20 10 EICDHM CC(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC001147676097 1049197322 /nfs/dbraw/zinc/19/73/22/1049197322.db2.gz NLFWKAGSHOYGHP-OAHLLOKOSA-N -1 3 333.815 4.268 20 10 EICDHM CCc1ccc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)cc1 ZINC001136636176 1049803230 /nfs/dbraw/zinc/80/32/30/1049803230.db2.gz PFBIEAAUSNIICQ-UHFFFAOYSA-N -1 3 340.404 4.036 20 10 EICDHM CCOc1cccc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC001177391865 1050205228 /nfs/dbraw/zinc/20/52/28/1050205228.db2.gz YDDHRBSXQRSDGM-UHFFFAOYSA-N -1 3 336.229 4.474 20 10 EICDHM C[C@H](c1ccccc1)n1ccc(NCc2c([O-])cccc2Cl)n1 ZINC001178138206 1050387694 /nfs/dbraw/zinc/38/76/94/1050387694.db2.gz AKZUGEXUTYYDJQ-CYBMUJFWSA-N -1 3 327.815 4.464 20 10 EICDHM COc1c([O-])c(CNc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000775052680 1050414165 /nfs/dbraw/zinc/41/41/65/1050414165.db2.gz XFVRRJQEBANIJL-UHFFFAOYSA-N -1 3 343.166 4.228 20 10 EICDHM Cc1c(NCc2c([O-])cccc2Cl)cnn1-c1ccc(F)cc1 ZINC001179081403 1050627403 /nfs/dbraw/zinc/62/74/03/1050627403.db2.gz HHLXOEVRTIYBEF-UHFFFAOYSA-N -1 3 331.778 4.291 20 10 EICDHM [O-]c1c(Br)c(F)ccc1Nc1ccnc2ccccc21 ZINC001174039278 1050718068 /nfs/dbraw/zinc/71/80/68/1050718068.db2.gz LNIFKXUQZXSYDF-UHFFFAOYSA-N -1 3 333.160 4.008 20 10 EICDHM CC[C@H](C)NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775179224 1050799083 /nfs/dbraw/zinc/79/90/83/1050799083.db2.gz LSGIEBKSRDHNMF-LBPRGKRZSA-N -1 3 332.831 4.186 20 10 EICDHM Cc1cccc2c1N[C@H](c1cc(Cl)c3ccccc3c1[O-])NC2=O ZINC000774547667 1051720907 /nfs/dbraw/zinc/72/09/07/1051720907.db2.gz QQBFUICQOJNAHB-SFHVURJKSA-N -1 3 338.794 4.361 20 10 EICDHM C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(Cl)cc3[O-])cc21 ZINC001183171491 1051799889 /nfs/dbraw/zinc/79/98/89/1051799889.db2.gz VEZKUINHOOTLEG-NSHDSACASA-N -1 3 330.815 4.128 20 10 EICDHM [O-]c1cc(F)c(F)cc1CNc1nc2ccccc2n1CC1CC1 ZINC001184463071 1052016914 /nfs/dbraw/zinc/01/69/14/1052016914.db2.gz UWJYRXHHXWXRPG-UHFFFAOYSA-N -1 3 329.350 4.042 20 10 EICDHM CC(C)[C@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395441 1053163520 /nfs/dbraw/zinc/16/35/20/1053163520.db2.gz SHEFINXWIGCDKL-MSOLQXFVSA-N -1 3 337.822 4.033 20 10 EICDHM Cn1c2ccc(NCc3ccc(F)c(F)c3[O-])cc2nc1C(C)(C)C ZINC000864030447 1053168425 /nfs/dbraw/zinc/16/84/25/1053168425.db2.gz LTQLHQZCAJAJPL-UHFFFAOYSA-N -1 3 345.393 4.467 20 10 EICDHM COc1ccnc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1F ZINC000850537640 1053301881 /nfs/dbraw/zinc/30/18/81/1053301881.db2.gz WICLXIFTSBFWNH-MRVPVSSYSA-N -1 3 345.201 4.093 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000775679338 1053554633 /nfs/dbraw/zinc/55/46/33/1053554633.db2.gz XSGYTDCWIKPFSA-KRWDZBQOSA-N -1 3 335.806 4.148 20 10 EICDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(OCc2ccccc2)c1 ZINC000776632224 1053620569 /nfs/dbraw/zinc/62/05/69/1053620569.db2.gz HKSUXWIECVYZSZ-UHFFFAOYSA-N -1 3 349.386 4.238 20 10 EICDHM CC[C@@H](NCc1c([O-])cccc1Br)c1nc(C)cs1 ZINC000858129222 1054420250 /nfs/dbraw/zinc/42/02/50/1054420250.db2.gz MRZRIJSGLKFTAX-GFCCVEGCSA-N -1 3 341.274 4.161 20 10 EICDHM [O-]c1c(Cl)cccc1CNCc1ccc(F)cc1Br ZINC000776044048 1054512449 /nfs/dbraw/zinc/51/24/49/1054512449.db2.gz ZKCHNXNUSVFFEM-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1COc2ccc(Cl)cc21 ZINC001201372336 1054763948 /nfs/dbraw/zinc/76/39/48/1054763948.db2.gz GYIUMIVMAHHDEE-ZDUSSCGKSA-N -1 3 328.170 4.061 20 10 EICDHM C[C@@H](c1cccc(O)c1)N(C)Cc1c([O-])cccc1Br ZINC000862243390 1055034729 /nfs/dbraw/zinc/03/47/29/1055034729.db2.gz ZPZXHELZZOHFNY-NSHDSACASA-N -1 3 336.229 4.053 20 10 EICDHM CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814216 1055481717 /nfs/dbraw/zinc/48/17/17/1055481717.db2.gz COTYSSQKZCBCDI-BZNIZROVSA-N -1 3 335.398 4.176 20 10 EICDHM C[C@H](NCc1c([O-])cccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000742390459 1058589433 /nfs/dbraw/zinc/58/94/33/1058589433.db2.gz HKITVXXUXMWVDX-JTQLQIEISA-N -1 3 347.777 4.086 20 10 EICDHM C[C@@H](NCc1c([O-])cccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000742390460 1058591163 /nfs/dbraw/zinc/59/11/63/1058591163.db2.gz HKITVXXUXMWVDX-SNVBAGLBSA-N -1 3 347.777 4.086 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2cccn2C)c1 ZINC000781895556 1023375920 /nfs/dbraw/zinc/37/59/20/1023375920.db2.gz VARVCWWLKUGFSU-MRXNPFEDSA-N -1 3 349.272 4.139 20 10 EICDHM C[C@H](NCc1c([O-])cccc1Cl)c1nccn1-c1ccccc1 ZINC000377395459 1023508719 /nfs/dbraw/zinc/50/87/19/1023508719.db2.gz CCCCRSJAUJREKY-ZDUSSCGKSA-N -1 3 327.815 4.082 20 10 EICDHM [O-]c1c(Br)cccc1CNCc1ccsc1Cl ZINC000312760518 1023804055 /nfs/dbraw/zinc/80/40/55/1023804055.db2.gz HLJKINNRUJSXPO-UHFFFAOYSA-N -1 3 332.650 4.159 20 10 EICDHM C[C@H](NCc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000756731032 1024187589 /nfs/dbraw/zinc/18/75/89/1024187589.db2.gz CLXVZSQRKOHZPO-QMMMGPOBSA-N -1 3 347.283 4.262 20 10 EICDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000279479444 1026448917 /nfs/dbraw/zinc/44/89/17/1026448917.db2.gz KQYYTILPTNETHQ-JGVFFNPUSA-N -1 3 334.338 4.418 20 10 EICDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000279479439 1026448956 /nfs/dbraw/zinc/44/89/56/1026448956.db2.gz KQYYTILPTNETHQ-HTQZYQBOSA-N -1 3 334.338 4.418 20 10 EICDHM CO[C@H](C)c1nc(CN[C@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273621521 1037529888 /nfs/dbraw/zinc/52/98/88/1037529888.db2.gz ZEXXIFADJGSZBV-NXEZZACHSA-N -1 3 326.849 4.060 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1cnc(Cl)c(Br)c1 ZINC000225277824 1037538791 /nfs/dbraw/zinc/53/87/91/1037538791.db2.gz BCSOCEHTTFWMKU-UHFFFAOYSA-N -1 3 348.027 4.469 20 10 EICDHM CC(=O)OCCCc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000137534092 1043115870 /nfs/dbraw/zinc/11/58/70/1043115870.db2.gz QWQIBLPIUKZBPK-UHFFFAOYSA-N -1 3 333.815 4.153 20 10 EICDHM Nc1ccc(N(c2ccc(N)cc2)c2cc(F)cc(F)c2[O-])cc1 ZINC001212489568 1043581271 /nfs/dbraw/zinc/58/12/71/1043581271.db2.gz RWQDNFGBDAHLFE-UHFFFAOYSA-N -1 3 327.334 4.305 20 10 EICDHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000731496169 1043769500 /nfs/dbraw/zinc/76/95/00/1043769500.db2.gz DGBCDBTZRPKMNN-HNNXBMFYSA-N -1 3 337.206 4.285 20 10 EICDHM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1ccns1 ZINC000708073952 1044834539 /nfs/dbraw/zinc/83/45/39/1044834539.db2.gz WWZCEJLSJQBYCD-SSDOTTSWSA-N -1 3 347.665 4.115 20 10 EICDHM C[C@H]1c2ccccc2OCCN1Cc1cccc(Br)c1[O-] ZINC000768931955 1045861086 /nfs/dbraw/zinc/86/10/86/1045861086.db2.gz XIJUOQKHEAIXDA-LBPRGKRZSA-N -1 3 348.240 4.110 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(CC1)OCc1ccccc12 ZINC000792168821 1045871966 /nfs/dbraw/zinc/87/19/66/1045871966.db2.gz GDEGDUKGBMAZJX-UHFFFAOYSA-N -1 3 347.817 4.206 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333972 1045927439 /nfs/dbraw/zinc/92/74/39/1045927439.db2.gz WJWCVRSHZUMDTB-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cnc3ccccc3n2)c1 ZINC000792693025 1046053985 /nfs/dbraw/zinc/05/39/85/1046053985.db2.gz VFERHXBMLVAMMT-UHFFFAOYSA-N -1 3 344.212 4.018 20 10 EICDHM C[C@]12CCN(Cc3cc(Cl)cc(F)c3[O-])C[C@H]1C2(Cl)Cl ZINC000793609490 1046310212 /nfs/dbraw/zinc/31/02/12/1046310212.db2.gz BQHAPWMKMCHPGA-YPMHNXCESA-N -1 3 338.637 4.200 20 10 EICDHM Cc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2C)c([O-])c1O ZINC000794094365 1046368787 /nfs/dbraw/zinc/36/87/87/1046368787.db2.gz ZQYZMUMHSMNZIV-UHFFFAOYSA-N -1 3 334.375 4.029 20 10 EICDHM CC[C@H](Nc1ccc(OCCOC)c(F)c1)c1ccc(F)cc1[O-] ZINC000796870163 1046407366 /nfs/dbraw/zinc/40/73/66/1046407366.db2.gz CHPSRFLPFGCQEA-INIZCTEOSA-N -1 3 337.366 4.259 20 10 EICDHM CC(C)[C@H](N[C@H](C)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000786984457 1046892149 /nfs/dbraw/zinc/89/21/49/1046892149.db2.gz YCUWHUABMOSGKA-PELKAZGASA-N -1 3 340.183 4.392 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2c2cccs2)c1[O-] ZINC000805840920 1047030627 /nfs/dbraw/zinc/03/06/27/1047030627.db2.gz XWYJTHYWUTUFBO-QGZVFWFLSA-N -1 3 333.428 4.379 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000788610251 1047233917 /nfs/dbraw/zinc/23/39/17/1047233917.db2.gz HFIDIOCRTZYRGB-SNVBAGLBSA-N -1 3 335.787 4.014 20 10 EICDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000760458765 1047375869 /nfs/dbraw/zinc/37/58/69/1047375869.db2.gz RQUKUGGOQQHLAD-UHFFFAOYSA-N -1 3 348.349 4.138 20 10 EICDHM O=C(Nc1ccccc1COCc1ccccc1)c1cccc(O)c1[O-] ZINC000790539619 1047601016 /nfs/dbraw/zinc/60/10/16/1047601016.db2.gz RZTCIKWQQCJASN-UHFFFAOYSA-N -1 3 349.386 4.067 20 10 EICDHM C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815625998 1048552146 /nfs/dbraw/zinc/55/21/46/1048552146.db2.gz RUTRUOUNARVPKR-IUCAKERBSA-N -1 3 346.299 4.496 20 10 EICDHM CN(Cc1cccc(F)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298533 1048574193 /nfs/dbraw/zinc/57/41/93/1048574193.db2.gz FTIWPOZSNKVZIP-UHFFFAOYSA-N -1 3 342.183 4.065 20 10 EICDHM CC(C)COC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000816544465 1048826427 /nfs/dbraw/zinc/82/64/27/1048826427.db2.gz JLTZEMUQVDJZBW-HNNXBMFYSA-N -1 3 341.810 4.281 20 10 EICDHM Cc1cnc([C@@H](NCc2cc(Cl)c(F)cc2[O-])C2CC2)s1 ZINC000816554397 1048833554 /nfs/dbraw/zinc/83/35/54/1048833554.db2.gz XREOFUBPBDENSN-AWEZNQCLSA-N -1 3 326.824 4.191 20 10 EICDHM CCC(CC)c1cc(CNCc2cc(Cl)c(F)cc2[O-])on1 ZINC000816554492 1048833946 /nfs/dbraw/zinc/83/39/46/1048833946.db2.gz ZZTWZRQVHOIUFN-UHFFFAOYSA-N -1 3 326.799 4.366 20 10 EICDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565972 1048836904 /nfs/dbraw/zinc/83/69/04/1048836904.db2.gz HVMKAUVKHWIJJD-PSASIEDQSA-N -1 3 325.733 4.348 20 10 EICDHM CCC(CC)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000818631343 1049193491 /nfs/dbraw/zinc/19/34/91/1049193491.db2.gz FVQVMBPKPAMDOJ-UHFFFAOYSA-N -1 3 327.424 4.040 20 10 EICDHM CCSCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774939397 1050168500 /nfs/dbraw/zinc/16/85/00/1050168500.db2.gz UFUQVDIIESIMEC-UHFFFAOYSA-N -1 3 348.424 4.174 20 10 EICDHM Cc1c(NCc2cc(C)cc(Br)c2[O-])n[nH]c1C(C)C ZINC001179025162 1050603011 /nfs/dbraw/zinc/60/30/11/1050603011.db2.gz VLOUXXRSFIHQMD-UHFFFAOYSA-N -1 3 338.249 4.230 20 10 EICDHM COc1ccccc1[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001180189183 1050908516 /nfs/dbraw/zinc/90/85/16/1050908516.db2.gz OCXZNZZDMNBAPX-KRWDZBQOSA-N -1 3 333.378 4.406 20 10 EICDHM Cc1cc([O-])c(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)cc1Cl ZINC001180469414 1051009740 /nfs/dbraw/zinc/00/97/40/1051009740.db2.gz JBKZUYBOPRZKSN-OAHLLOKOSA-N -1 3 341.879 4.200 20 10 EICDHM CC(C)n1ccc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000774203210 1051499716 /nfs/dbraw/zinc/49/97/16/1051499716.db2.gz STYCHZLKQZKNDD-SNVBAGLBSA-N -1 3 328.243 4.327 20 10 EICDHM O=C1N[C@H](c2cc(Cl)c3ccccc3c2[O-])Nc2cc(F)ccc21 ZINC000774548128 1051720838 /nfs/dbraw/zinc/72/08/38/1051720838.db2.gz WGXUNTRNGSTMFK-QGZVFWFLSA-N -1 3 342.757 4.192 20 10 EICDHM [O-]c1c(CNc2ncc3ccsc3n2)cc(Cl)c2cccnc12 ZINC001168527066 1052413830 /nfs/dbraw/zinc/41/38/30/1052413830.db2.gz CCCKKFWHNOZKGB-UHFFFAOYSA-N -1 3 342.811 4.211 20 10 EICDHM CSc1ncc(C)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527165 1052471609 /nfs/dbraw/zinc/47/16/09/1052471609.db2.gz DXTNFGXBQRCVRR-UHFFFAOYSA-N -1 3 346.843 4.026 20 10 EICDHM CC[C@@H](N[C@@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573237 1053328158 /nfs/dbraw/zinc/32/81/58/1053328158.db2.gz XLHHKOLCKXBVIO-TVQRCGJNSA-N -1 3 328.243 4.234 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000775644819 1053333078 /nfs/dbraw/zinc/33/30/78/1053333078.db2.gz QOUIOIHDCBXHKO-UHFFFAOYSA-N -1 3 333.790 4.180 20 10 EICDHM COc1ccc(OC)c(CN(Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775653019 1053397015 /nfs/dbraw/zinc/39/70/15/1053397015.db2.gz ZYOOVVACDWRSNQ-UHFFFAOYSA-N -1 3 347.842 4.227 20 10 EICDHM CCCN(Cc1cccc(Cl)c1[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000775668280 1053458369 /nfs/dbraw/zinc/45/83/69/1053458369.db2.gz VXHNPLJHMOSKMD-AWEZNQCLSA-N -1 3 346.858 4.285 20 10 EICDHM Cc1ccc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])o1 ZINC000866478575 1053744526 /nfs/dbraw/zinc/74/45/26/1053744526.db2.gz JVHQMTSOTQLMEN-VIFPVBQESA-N -1 3 328.181 4.046 20 10 EICDHM O=C1/C(=C/c2c(F)ccc([O-])c2F)SC(=S)N1c1ccccc1 ZINC000794932121 1053792140 /nfs/dbraw/zinc/79/21/40/1053792140.db2.gz TXHRLVJHPRWOHA-JYRVWZFOSA-N -1 3 349.383 4.076 20 10 EICDHM C[C@@H](NCc1ncc(Br)s1)c1ccc(Cl)cc1[O-] ZINC000866619589 1053809118 /nfs/dbraw/zinc/80/91/18/1053809118.db2.gz FOTIUMCVAYDAEA-SSDOTTSWSA-N -1 3 347.665 4.115 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](F)(c3ccccc3)C2)c1[O-] ZINC001197078181 1053834164 /nfs/dbraw/zinc/83/41/64/1053834164.db2.gz SFWGIXIUERSJSX-FQEVSTJZSA-N -1 3 345.389 4.195 20 10 EICDHM Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000872133833 1054408104 /nfs/dbraw/zinc/40/81/04/1054408104.db2.gz PADNHAHXMJUWCY-SCZZXKLOSA-N -1 3 326.227 4.209 20 10 EICDHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014467 1054438992 /nfs/dbraw/zinc/43/89/92/1054438992.db2.gz RWTWACPWQSLWBF-KCJUWKMLSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccns1 ZINC000858578014 1054524511 /nfs/dbraw/zinc/52/45/11/1054524511.db2.gz STAOKKUEMJLSQO-YUMQZZPRSA-N -1 3 345.237 4.162 20 10 EICDHM CC[C@@H](C)Oc1cc(C)ccc1CNCc1cc(F)cc(F)c1[O-] ZINC001201424786 1054796750 /nfs/dbraw/zinc/79/67/50/1054796750.db2.gz CTUIXPDBBPXRSL-CYBMUJFWSA-N -1 3 335.394 4.446 20 10 EICDHM COc1cc(CN(C)Cc2cc(Cl)cc(Cl)c2[O-])ccc1O ZINC000125976498 1054925217 /nfs/dbraw/zinc/92/52/17/1054925217.db2.gz SKMIOBDHTIBBBI-UHFFFAOYSA-N -1 3 342.222 4.045 20 10 EICDHM CCN(Cc1c([O-])cccc1Br)[C@H](C)c1cccnc1 ZINC000862367979 1055058094 /nfs/dbraw/zinc/05/80/94/1055058094.db2.gz ALYHOPCBNWXLDE-GFCCVEGCSA-N -1 3 335.245 4.133 20 10 EICDHM CC[C@@H](NCc1nc(C)cs1)c1cc(Br)ccc1[O-] ZINC000038090667 213200604 /nfs/dbraw/zinc/20/06/04/213200604.db2.gz ZLJCIUMCCQYYKN-GFCCVEGCSA-N -1 3 341.274 4.161 20 10 EICDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000188271909 1023185766 /nfs/dbraw/zinc/18/57/66/1023185766.db2.gz UZVSXWCDSHCYED-LBPRGKRZSA-N -1 3 325.364 4.067 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000894514422 1026108591 /nfs/dbraw/zinc/10/85/91/1026108591.db2.gz HIJZNQPNWDANLC-UHFFFAOYSA-N -1 3 346.645 4.243 20 10 EICDHM C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185234981 1030132956 /nfs/dbraw/zinc/13/29/56/1030132956.db2.gz HGVOSEMQPNKVAX-PXAZEXFGSA-N -1 3 328.412 4.428 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1nnc(C2CCC(F)(F)CC2)o1 ZINC000905426203 1035817221 /nfs/dbraw/zinc/81/72/21/1035817221.db2.gz MMRWMHAWWRGUHG-UHFFFAOYSA-N -1 3 343.761 4.334 20 10 EICDHM CO[C@@H](C)c1nc(CN[C@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273621527 1037527414 /nfs/dbraw/zinc/52/74/14/1037527414.db2.gz ZEXXIFADJGSZBV-ZJUUUORDSA-N -1 3 326.849 4.060 20 10 EICDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1nc(C2CCCCC2)no1 ZINC000173866091 1038746141 /nfs/dbraw/zinc/74/61/41/1038746141.db2.gz SMWVIKBACMXJLE-LLVKDONJSA-N -1 3 335.835 4.327 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768373401 1045801785 /nfs/dbraw/zinc/80/17/85/1045801785.db2.gz FAIMZEKZLLIUDP-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[O-] ZINC000792354116 1045891798 /nfs/dbraw/zinc/89/17/98/1045891798.db2.gz GBEPGFVBACAOON-CQSZACIVSA-N -1 3 347.352 4.144 20 10 EICDHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c([O-])c1O ZINC000769314852 1045917710 /nfs/dbraw/zinc/91/77/10/1045917710.db2.gz PXUYBCHVNMTHCS-SFHVURJKSA-N -1 3 345.398 4.199 20 10 EICDHM Cc1cc([C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)ccc1F ZINC000769481816 1045965946 /nfs/dbraw/zinc/96/59/46/1045965946.db2.gz VYIDTYBRMQRRQN-SFHVURJKSA-N -1 3 335.806 4.067 20 10 EICDHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)cs1 ZINC000770465744 1046205323 /nfs/dbraw/zinc/20/53/23/1046205323.db2.gz HZKJAJHQGVFHNX-UHFFFAOYSA-N -1 3 340.404 4.090 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(CC(F)(F)F)CC1 ZINC000793619090 1046314677 /nfs/dbraw/zinc/31/46/77/1046314677.db2.gz DRYKDFKSLUGVKW-UHFFFAOYSA-N -1 3 325.733 4.349 20 10 EICDHM [O-]c1c(CNc2ccc3c(c2)CCOC3)cc(Cl)c2cccnc12 ZINC001168521413 1046365899 /nfs/dbraw/zinc/36/58/99/1046365899.db2.gz BNYBHCXGIJVQEN-UHFFFAOYSA-N -1 3 340.810 4.279 20 10 EICDHM CCCN(Cc1c([O-])ccc2ccc(OC)cc21)CC(F)(F)F ZINC000917437318 1046878666 /nfs/dbraw/zinc/87/86/66/1046878666.db2.gz LHCJLOGFCDZAQK-UHFFFAOYSA-N -1 3 327.346 4.328 20 10 EICDHM COc1c([O-])c(CNc2ccc(C3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000787308271 1046990786 /nfs/dbraw/zinc/99/07/86/1046990786.db2.gz AZCVGNJAPIYZRG-UHFFFAOYSA-N -1 3 328.368 4.189 20 10 EICDHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000787416440 1047004194 /nfs/dbraw/zinc/00/41/94/1047004194.db2.gz FSOGYQONNDEQOU-NSHDSACASA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H](Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000788691827 1047265810 /nfs/dbraw/zinc/26/58/10/1047265810.db2.gz PJFFNWMMTNNCDG-SECBINFHSA-N -1 3 325.286 4.313 20 10 EICDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2OC(C)(C)C3)c1 ZINC000788985128 1047341826 /nfs/dbraw/zinc/34/18/26/1047341826.db2.gz VKVJDCMGPTZLSM-LBPRGKRZSA-N -1 3 341.407 4.065 20 10 EICDHM COc1cccc(F)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524236 1047663359 /nfs/dbraw/zinc/66/33/59/1047663359.db2.gz YEGFSMSIHTXIGO-UHFFFAOYSA-N -1 3 332.762 4.354 20 10 EICDHM CCc1nc([C@@H]2CCCCN2Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000824600706 1047891004 /nfs/dbraw/zinc/89/10/04/1047891004.db2.gz BNJVBRWGFVFJLN-AWEZNQCLSA-N -1 3 335.835 4.027 20 10 EICDHM CCN(CC)c1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000815124320 1048337408 /nfs/dbraw/zinc/33/74/08/1048337408.db2.gz RZONHAKXLYMAQA-UHFFFAOYSA-N -1 3 336.838 4.321 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2F)c([O-])c1O ZINC001144211903 1048498390 /nfs/dbraw/zinc/49/83/90/1048498390.db2.gz HHXSLJXQIRZSNV-UHFFFAOYSA-N -1 3 347.386 4.223 20 10 EICDHM O=C(Nc1cccc(N2CCCCC2)c1)c1cc([O-])ccc1Cl ZINC000810194840 1048677027 /nfs/dbraw/zinc/67/70/27/1048677027.db2.gz NSMROTZANUGJRG-UHFFFAOYSA-N -1 3 330.815 4.288 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000816483774 1048811853 /nfs/dbraw/zinc/81/18/53/1048811853.db2.gz DNWHVAFJUCLHPE-LJQANCHMSA-N -1 3 349.833 4.130 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000816483137 1048811903 /nfs/dbraw/zinc/81/19/03/1048811903.db2.gz HAEPTXJBZIDWTG-UHFFFAOYSA-N -1 3 349.833 4.366 20 10 EICDHM CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482564 1048812203 /nfs/dbraw/zinc/81/22/03/1048812203.db2.gz KOWUQDSPZQZMHN-UHFFFAOYSA-N -1 3 345.805 4.002 20 10 EICDHM Cc1nc(C)c([C@H](C)N(C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816506619 1048823311 /nfs/dbraw/zinc/82/33/11/1048823311.db2.gz IIXPBMKOBMBFIX-VIFPVBQESA-N -1 3 328.840 4.451 20 10 EICDHM COc1cccc(Cl)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816590819 1048832150 /nfs/dbraw/zinc/83/21/50/1048832150.db2.gz MQDVMKBEMWQEAK-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1COc2c1cccc2Cl ZINC000816557532 1048834461 /nfs/dbraw/zinc/83/44/61/1048834461.db2.gz ULESCZPCKGSQMB-ZDUSSCGKSA-N -1 3 328.170 4.061 20 10 EICDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])[C@@H]1c1ccncc1 ZINC000816621898 1048845588 /nfs/dbraw/zinc/84/55/88/1048845588.db2.gz RKTDMLIVGINUNU-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM Cc1cc(NCc2cc(C)cc(Br)c2[O-])nn1C(C)C ZINC000817710089 1049033674 /nfs/dbraw/zinc/03/36/74/1049033674.db2.gz HFODXBXDPHEXFR-UHFFFAOYSA-N -1 3 338.249 4.161 20 10 EICDHM CCN(C(=O)c1cccc(O)c1[O-])C(c1ccccc1)c1ccccc1 ZINC001148937139 1049402796 /nfs/dbraw/zinc/40/27/96/1049402796.db2.gz OLROWIUSLYJEDR-UHFFFAOYSA-N -1 3 347.414 4.350 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000775137845 1050593234 /nfs/dbraw/zinc/59/32/34/1050593234.db2.gz QVMYFNHRLXDLSX-QMMMGPOBSA-N -1 3 328.161 4.473 20 10 EICDHM Cc1ccc(C)c(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001180039077 1050862337 /nfs/dbraw/zinc/86/23/37/1050862337.db2.gz KQVRDTIKSPIKIU-UHFFFAOYSA-N -1 3 347.405 4.331 20 10 EICDHM Cc1cc([O-])c(CN(C)Cc2nc3c(s2)CCCC3)cc1Cl ZINC001180267573 1050941455 /nfs/dbraw/zinc/94/14/55/1050941455.db2.gz YBLCTVSEOINNCX-UHFFFAOYSA-N -1 3 336.888 4.321 20 10 EICDHM [O-]c1c(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045663 1051768926 /nfs/dbraw/zinc/76/89/26/1051768926.db2.gz MCNGYDSJYSBZLY-LBPRGKRZSA-N -1 3 339.332 4.328 20 10 EICDHM Cc1cnc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)s1 ZINC000763672769 1051900849 /nfs/dbraw/zinc/90/08/49/1051900849.db2.gz BGXAQVOQEJERPI-UHFFFAOYSA-N -1 3 340.851 4.329 20 10 EICDHM CCc1ncc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527168 1052471667 /nfs/dbraw/zinc/47/16/67/1052471667.db2.gz FAWMPJNGOCFPNU-UHFFFAOYSA-N -1 3 349.221 4.212 20 10 EICDHM CSc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)n1 ZINC001168527908 1052561545 /nfs/dbraw/zinc/56/15/45/1052561545.db2.gz OSRYVBZNBIYWPH-UHFFFAOYSA-N -1 3 346.843 4.026 20 10 EICDHM COc1ccc(NCc2cc(C)cc(Br)c2[O-])c(F)c1 ZINC000864042379 1053184904 /nfs/dbraw/zinc/18/49/04/1053184904.db2.gz JIIYDMIZWIQPDJ-UHFFFAOYSA-N -1 3 340.192 4.223 20 10 EICDHM CC[C@@H](NCc1cccnc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836870 1053504874 /nfs/dbraw/zinc/50/48/74/1053504874.db2.gz ROXFRNAKTMAEAI-GFCCVEGCSA-N -1 3 329.202 4.474 20 10 EICDHM COc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])oc1ccccc12 ZINC000776611722 1053595018 /nfs/dbraw/zinc/59/50/18/1053595018.db2.gz AZIBKMIOCVTPIB-UHFFFAOYSA-N -1 3 349.342 4.258 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000776748323 1053825947 /nfs/dbraw/zinc/82/59/47/1053825947.db2.gz ALQNCNQMOJFMKL-UHFFFAOYSA-N -1 3 339.416 4.168 20 10 EICDHM CCc1nc([C@H](C)NCc2c([O-])cccc2Br)cs1 ZINC000858134179 1054421243 /nfs/dbraw/zinc/42/12/43/1054421243.db2.gz LJGCEOSVSPGSNE-VIFPVBQESA-N -1 3 341.274 4.024 20 10 EICDHM CC1(C)CN(Cc2c([O-])cccc2Br)[C@H]1c1cccnc1 ZINC000862373258 1055058310 /nfs/dbraw/zinc/05/83/10/1055058310.db2.gz CTZCNCOKJAIPLD-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM Cc1cc([O-])c(CN2CCSC[C@@H]2c2nccs2)cc1Cl ZINC000825537202 1055222472 /nfs/dbraw/zinc/22/24/72/1055222472.db2.gz SOSLKRRBGDMFIJ-CYBMUJFWSA-N -1 3 340.901 4.101 20 10 EICDHM C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(Cl)cc1[O-] ZINC000841755020 1032456140 /nfs/dbraw/zinc/45/61/40/1032456140.db2.gz FSAKARFYAPFWAR-ZBEGNZNMSA-N -1 3 330.815 4.170 20 10 EICDHM Cc1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278812728 1023483600 /nfs/dbraw/zinc/48/36/00/1023483600.db2.gz RZTKPCRMBBCFKF-NKWVEPMBSA-N -1 3 332.256 4.271 20 10 EICDHM CC[C@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000277472312 1026129550 /nfs/dbraw/zinc/12/95/50/1026129550.db2.gz RQTROSRALJJMSW-DTWKUNHWSA-N -1 3 343.258 4.181 20 10 EICDHM CC[C@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000277472316 1026130475 /nfs/dbraw/zinc/13/04/75/1026130475.db2.gz RQTROSRALJJMSW-IUCAKERBSA-N -1 3 343.258 4.181 20 10 EICDHM CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000279492095 1026451846 /nfs/dbraw/zinc/45/18/46/1026451846.db2.gz LTZAJQZEJXGHNK-LBPRGKRZSA-N -1 3 331.391 4.154 20 10 EICDHM CC[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132603 1027405107 /nfs/dbraw/zinc/40/51/07/1027405107.db2.gz FFGZREGSNNTZGP-JTQLQIEISA-N -1 3 332.669 4.430 20 10 EICDHM C[C@H](NCc1nnc(C2CC2)s1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840892395 1027580946 /nfs/dbraw/zinc/58/09/46/1027580946.db2.gz ZGVZFAGHDDDFCJ-ZETCQYMHSA-N -1 3 344.267 4.279 20 10 EICDHM CC(=O)Nc1cc(NCc2c([O-])cccc2Cl)ccc1Cl ZINC000135521612 1029727504 /nfs/dbraw/zinc/72/75/04/1029727504.db2.gz ACGJAIBYFXNKJO-UHFFFAOYSA-N -1 3 325.195 4.270 20 10 EICDHM CC(C)(C)c1cnc(SCc2noc(-c3ccccc3[O-])n2)s1 ZINC000164344058 1036069398 /nfs/dbraw/zinc/06/93/98/1036069398.db2.gz DGBBFIZWNMVAFO-UHFFFAOYSA-N -1 3 347.465 4.489 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CNCc1nc2ccccc2n1C1CC1 ZINC000761226395 1036279360 /nfs/dbraw/zinc/27/93/60/1036279360.db2.gz QUEPLQOKTMRBNR-UHFFFAOYSA-N -1 3 345.805 4.159 20 10 EICDHM COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000170789198 1036831468 /nfs/dbraw/zinc/83/14/68/1036831468.db2.gz HMFXGKQGIINIGE-SECBINFHSA-N -1 3 327.302 4.314 20 10 EICDHM COCCc1nc2cc(N[C@H](C)c3ccc(F)cc3[O-])ccc2o1 ZINC000273521434 1037492463 /nfs/dbraw/zinc/49/24/63/1037492463.db2.gz UIPQQEODVUXQHR-LLVKDONJSA-N -1 3 330.359 4.035 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1C(F)(F)F ZINC000790962253 1045636650 /nfs/dbraw/zinc/63/66/50/1045636650.db2.gz JLUQENPBGGXGRI-UHFFFAOYSA-N -1 3 333.712 4.493 20 10 EICDHM CC(C)n1cc2c(n1)[C@@H](NCc1c([O-])ccc(Cl)c1F)CCC2 ZINC000790991284 1045646825 /nfs/dbraw/zinc/64/68/25/1045646825.db2.gz STEDPBQRYHIIPW-AWEZNQCLSA-N -1 3 337.826 4.129 20 10 EICDHM COc1c(CNCc2c([O-])ccc(Cl)c2F)oc2ccccc21 ZINC000790991786 1045649671 /nfs/dbraw/zinc/64/96/71/1045649671.db2.gz QWAJDPHIRNXZBR-UHFFFAOYSA-N -1 3 335.762 4.229 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1c(F)cccc1OC(F)F ZINC000790971903 1045660761 /nfs/dbraw/zinc/66/07/61/1045660761.db2.gz YHBZUPAEYQFFLV-UHFFFAOYSA-N -1 3 349.711 4.215 20 10 EICDHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000792333466 1045891079 /nfs/dbraw/zinc/89/10/79/1045891079.db2.gz SMLVRXIYHZMDQU-CQSZACIVSA-N -1 3 334.419 4.102 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333970 1045926263 /nfs/dbraw/zinc/92/62/63/1045926263.db2.gz WJWCVRSHZUMDTB-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM C[C@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769986476 1046122252 /nfs/dbraw/zinc/12/22/52/1046122252.db2.gz PQSOSFRIDNNWGI-UFBFGSQYSA-N -1 3 332.252 4.145 20 10 EICDHM CC(C)Oc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001168521492 1046364643 /nfs/dbraw/zinc/36/46/43/1046364643.db2.gz DMMXBAUWKFRWIP-UHFFFAOYSA-N -1 3 343.814 4.388 20 10 EICDHM CC(C)[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000786984458 1046891264 /nfs/dbraw/zinc/89/12/64/1046891264.db2.gz YCUWHUABMOSGKA-UFBFGSQYSA-N -1 3 340.183 4.392 20 10 EICDHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000787416432 1047003438 /nfs/dbraw/zinc/00/34/38/1047003438.db2.gz FSOGYQONNDEQOU-LLVKDONJSA-N -1 3 325.733 4.348 20 10 EICDHM CC[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129747 1047151903 /nfs/dbraw/zinc/15/19/03/1047151903.db2.gz JGKHLSHANIZGNZ-IUODEOHRSA-N -1 3 348.878 4.165 20 10 EICDHM CC[C@@H](NCc1cccnc1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129329 1047152076 /nfs/dbraw/zinc/15/20/76/1047152076.db2.gz DVOAWUFILYJRPY-CQSZACIVSA-N -1 3 341.238 4.344 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000809728883 1048480744 /nfs/dbraw/zinc/48/07/44/1048480744.db2.gz KEDKUQRRSDULSP-MRXNPFEDSA-N -1 3 347.256 4.195 20 10 EICDHM C[C@H](Nc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000815614977 1048543053 /nfs/dbraw/zinc/54/30/53/1048543053.db2.gz FOVVKGCNSSXGHO-VIFPVBQESA-N -1 3 325.286 4.313 20 10 EICDHM C[C@@H](Nc1cnn(C)c1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815617327 1048544687 /nfs/dbraw/zinc/54/46/87/1048544687.db2.gz KWQJZGMGWWJYKF-SECBINFHSA-N -1 3 325.334 4.195 20 10 EICDHM C[C@H](Nc1cnn(-c2ccccn2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815608250 1048558502 /nfs/dbraw/zinc/55/85/02/1048558502.db2.gz VQAZDCZCDSWQCW-NSHDSACASA-N -1 3 348.328 4.165 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(Oc2ccccc2)CC1 ZINC000816488864 1048814062 /nfs/dbraw/zinc/81/40/62/1048814062.db2.gz HBQRAFKSEZYNEO-UHFFFAOYSA-N -1 3 335.806 4.228 20 10 EICDHM COc1cc(Cl)ccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816551626 1048825685 /nfs/dbraw/zinc/82/56/85/1048825685.db2.gz JCMMIZMFQWICTG-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM [O-]c1c(CN2CCSC[C@@H]2c2nccs2)ccc2ccccc21 ZINC000816571823 1048839496 /nfs/dbraw/zinc/83/94/96/1048839496.db2.gz RMQHYHIAOYNJTL-MRXNPFEDSA-N -1 3 342.489 4.292 20 10 EICDHM Cc1ccc(C(=O)Nc2nc(C3CCCCC3)cs2)c([O-])c1O ZINC001171508664 1049741384 /nfs/dbraw/zinc/74/13/84/1049741384.db2.gz PMKJWSGPMBJPTR-UHFFFAOYSA-N -1 3 332.425 4.163 20 10 EICDHM [O-]c1c(CNc2ccnc3ncccc23)cc(Cl)c2cccnc12 ZINC001168526031 1050147322 /nfs/dbraw/zinc/14/73/22/1050147322.db2.gz QHAXBJRONOMEMI-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM CC[C@@H](C)NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775179221 1050800118 /nfs/dbraw/zinc/80/01/18/1050800118.db2.gz LSGIEBKSRDHNMF-GFCCVEGCSA-N -1 3 332.831 4.186 20 10 EICDHM O=C(CCC(F)=C(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180281270 1050953388 /nfs/dbraw/zinc/95/33/88/1050953388.db2.gz AXSVJLICLBGPGQ-UHFFFAOYSA-N -1 3 344.720 4.068 20 10 EICDHM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001191248479 1051410792 /nfs/dbraw/zinc/41/07/92/1051410792.db2.gz CWQWXOGGWVHNKS-UHFFFAOYSA-N -1 3 333.453 4.152 20 10 EICDHM Cc1ccc(Br)c(CNCc2cccc(Cl)c2[O-])c1 ZINC001182410951 1051535834 /nfs/dbraw/zinc/53/58/34/1051535834.db2.gz WDRTUYQMGGZYCB-UHFFFAOYSA-N -1 3 340.648 4.406 20 10 EICDHM Cc1cc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ncc2[nH]1 ZINC001168528638 1052630147 /nfs/dbraw/zinc/63/01/47/1052630147.db2.gz XJRLZNKUQLWFSE-UHFFFAOYSA-N -1 3 338.798 4.391 20 10 EICDHM CCN(Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)C(F)(F)F ZINC000794676146 1053260078 /nfs/dbraw/zinc/26/00/78/1053260078.db2.gz DHUYXOAETZUMGE-LLVKDONJSA-N -1 3 327.346 4.327 20 10 EICDHM O=[N+]([O-])c1cccc(CN(Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000775650499 1053382719 /nfs/dbraw/zinc/38/27/19/1053382719.db2.gz DYKYKJZKHLTFHE-UHFFFAOYSA-N -1 3 332.787 4.118 20 10 EICDHM Cc1cccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])c1C ZINC000776665897 1053674140 /nfs/dbraw/zinc/67/41/40/1053674140.db2.gz DARMPMNSTBDCLV-KRWDZBQOSA-N -1 3 325.408 4.082 20 10 EICDHM CCCCOc1ncccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001199770126 1054465666 /nfs/dbraw/zinc/46/56/66/1054465666.db2.gz USQSNBZOOQEQHV-UHFFFAOYSA-N -1 3 338.810 4.048 20 10 EICDHM CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000765814214 1055481145 /nfs/dbraw/zinc/48/11/45/1055481145.db2.gz COTYSSQKZCBCDI-BDJLRTHQSA-N -1 3 335.398 4.176 20 10 EICDHM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000804346668 1061098451 /nfs/dbraw/zinc/09/84/51/1061098451.db2.gz WJSZIRFVDKUWIG-UHFFFAOYSA-N -1 3 340.423 4.039 20 10 EICDHM COCC[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000276892909 1024675577 /nfs/dbraw/zinc/67/55/77/1024675577.db2.gz IBCIXMBJMZGSDX-FZMZJTMJSA-N -1 3 325.355 4.000 20 10 EICDHM CN(Cc1cc(Cl)cc(Br)c1[O-])C1CC(F)(F)C1 ZINC001141367809 1025041376 /nfs/dbraw/zinc/04/13/76/1025041376.db2.gz RCMBHVYGKVXCHS-UHFFFAOYSA-N -1 3 340.595 4.038 20 10 EICDHM COc1ccc([C@H](C)NCc2c([O-])ccc(Cl)c2F)c(OC)c1 ZINC000527779074 1030844446 /nfs/dbraw/zinc/84/44/46/1030844446.db2.gz ANIBXOKKJDNBAG-JTQLQIEISA-N -1 3 339.794 4.053 20 10 EICDHM [O-]c1cccc(F)c1CN1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001137838485 1044688015 /nfs/dbraw/zinc/68/80/15/1044688015.db2.gz BNIYSGXYHYTDOD-MRXNPFEDSA-N -1 3 337.847 4.475 20 10 EICDHM CN(C(=O)C1CC1)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000922564238 1044816108 /nfs/dbraw/zinc/81/61/08/1044816108.db2.gz BDZGJDUGNNPFRW-UHFFFAOYSA-N -1 3 330.815 4.031 20 10 EICDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790976817 1045663304 /nfs/dbraw/zinc/66/33/04/1045663304.db2.gz LOTWVXKPWXFTKI-UHFFFAOYSA-N -1 3 345.157 4.036 20 10 EICDHM CC(C)(C)Oc1cccc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000790982649 1045666066 /nfs/dbraw/zinc/66/60/66/1045666066.db2.gz WIVHRZVQMLGSMZ-UHFFFAOYSA-N -1 3 338.810 4.047 20 10 EICDHM C[C@H](c1ccccc1F)N(C)Cc1cccc(Br)c1[O-] ZINC000768265245 1045772147 /nfs/dbraw/zinc/77/21/47/1045772147.db2.gz SVEMGVPUQAVMPG-LLVKDONJSA-N -1 3 338.220 4.487 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000768531176 1045815757 /nfs/dbraw/zinc/81/57/57/1045815757.db2.gz VBWHLLFKUGLGBT-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM Cc1nc2c(s1)[C@H](N(C)Cc1c([O-])ccc(Cl)c1F)CCC2 ZINC000792166585 1045869806 /nfs/dbraw/zinc/86/98/06/1045869806.db2.gz ULJVWRYFOMBZAY-CYBMUJFWSA-N -1 3 340.851 4.459 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Cc2cccnc2)CC1 ZINC000792173340 1045872433 /nfs/dbraw/zinc/87/24/33/1045872433.db2.gz BAPLRDUKOYQYGY-UHFFFAOYSA-N -1 3 334.822 4.034 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2ccccn2)CC1 ZINC000769103865 1045883540 /nfs/dbraw/zinc/88/35/40/1045883540.db2.gz BNCWDPPJRZRCNY-UHFFFAOYSA-N -1 3 337.250 4.474 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000769228867 1045898171 /nfs/dbraw/zinc/89/81/71/1045898171.db2.gz AHZOZRPWJQCAIG-OAHLLOKOSA-N -1 3 337.250 4.385 20 10 EICDHM Cc1cc([C@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)ccc1F ZINC000769481814 1045968305 /nfs/dbraw/zinc/96/83/05/1045968305.db2.gz VYIDTYBRMQRRQN-GOSISDBHSA-N -1 3 335.806 4.067 20 10 EICDHM CC(C)(O)c1ccccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521451 1046365503 /nfs/dbraw/zinc/36/55/03/1046365503.db2.gz CDXQOAWNKPAINI-UHFFFAOYSA-N -1 3 342.826 4.433 20 10 EICDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1ncc(C)o1 ZINC000771446394 1046407216 /nfs/dbraw/zinc/40/72/16/1046407216.db2.gz KZUKPLZFNNDMKJ-NSHDSACASA-N -1 3 339.233 4.034 20 10 EICDHM Cn1cnc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001168522947 1046752786 /nfs/dbraw/zinc/75/27/86/1046752786.db2.gz XGUAZFIYZJLZDH-UHFFFAOYSA-N -1 3 338.798 4.093 20 10 EICDHM CC[C@H](c1ccccc1OC)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000805833823 1047023512 /nfs/dbraw/zinc/02/35/12/1047023512.db2.gz AYDALWWQZIAKGQ-GOSISDBHSA-N -1 3 345.414 4.326 20 10 EICDHM CC[C@@H](NCc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1[O-] ZINC000806146107 1047170245 /nfs/dbraw/zinc/17/02/45/1047170245.db2.gz KBASLIGCWRAJMN-CQSZACIVSA-N -1 3 347.821 4.312 20 10 EICDHM CC[C@H](NCc1nn(C)cc1Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC000824758170 1047942777 /nfs/dbraw/zinc/94/27/77/1047942777.db2.gz MHISAKRJLFJVDH-LBPRGKRZSA-N -1 3 347.768 4.039 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825046085 1048024889 /nfs/dbraw/zinc/02/48/89/1048024889.db2.gz QAHCWPMOOSYYIJ-GFCCVEGCSA-N -1 3 345.723 4.379 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000809728630 1048476327 /nfs/dbraw/zinc/47/63/27/1048476327.db2.gz DETIQTBOZQIMPE-MRXNPFEDSA-N -1 3 347.256 4.195 20 10 EICDHM [O-]c1c(Br)cccc1CN1CCC=C(c2ccco2)C1 ZINC000809688817 1048479033 /nfs/dbraw/zinc/47/90/33/1048479033.db2.gz PQGYORSLSGJQMY-UHFFFAOYSA-N -1 3 334.213 4.037 20 10 EICDHM CCc1nc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815577813 1048519558 /nfs/dbraw/zinc/51/95/58/1048519558.db2.gz ACCSKIRFQNEHGP-VIFPVBQESA-N -1 3 330.375 4.281 20 10 EICDHM CC(C)c1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])on1 ZINC000815580113 1048520127 /nfs/dbraw/zinc/52/01/27/1048520127.db2.gz CJVHEFRJGUACJJ-JTQLQIEISA-N -1 3 328.334 4.373 20 10 EICDHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573761 1048838444 /nfs/dbraw/zinc/83/84/44/1048838444.db2.gz JWMLIZPMYCLYOI-WCBMZHEXSA-N -1 3 325.733 4.348 20 10 EICDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1Cl)C1CCCC1 ZINC001144745870 1048842383 /nfs/dbraw/zinc/84/23/83/1048842383.db2.gz OUVWFWUOMRRXBI-UHFFFAOYSA-N -1 3 345.826 4.336 20 10 EICDHM Cc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)c([O-])c1O ZINC000179543437 1049668308 /nfs/dbraw/zinc/66/83/08/1049668308.db2.gz VHHBTDJMFZWXNS-UHFFFAOYSA-N -1 3 339.313 4.153 20 10 EICDHM Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(O)c3[O-])n2)s1 ZINC001136665215 1049816836 /nfs/dbraw/zinc/81/68/36/1049816836.db2.gz GKNGCOKFMFBIDI-UHFFFAOYSA-N -1 3 346.433 4.152 20 10 EICDHM CC(C)(C)c1ncncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168526230 1050305578 /nfs/dbraw/zinc/30/55/78/1050305578.db2.gz UJJSBTWGGTUDFE-UHFFFAOYSA-N -1 3 342.830 4.293 20 10 EICDHM O=C1c2ccccc2C(=O)c2cc(Nc3ccc([O-])c(F)c3)ccc21 ZINC001174734793 1051153334 /nfs/dbraw/zinc/15/33/34/1051153334.db2.gz IIXBCLPCRIYARO-UHFFFAOYSA-N -1 3 333.318 4.050 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC001190444672 1051174385 /nfs/dbraw/zinc/17/43/85/1051174385.db2.gz JXLMJZWXMYLCKR-UHFFFAOYSA-N -1 3 333.453 4.189 20 10 EICDHM CC[C@H](NCc1csc([C@@H](C)OC)n1)c1cc(Cl)ccc1[O-] ZINC000775511435 1051657792 /nfs/dbraw/zinc/65/77/92/1051657792.db2.gz FPPHGSIVHOPUTA-YGRLFVJLSA-N -1 3 340.876 4.450 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194162130 1052092500 /nfs/dbraw/zinc/09/25/00/1052092500.db2.gz IPONZRHUYBOURX-UHFFFAOYSA-N -1 3 345.445 4.230 20 10 EICDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC001197352522 1053880803 /nfs/dbraw/zinc/88/08/03/1053880803.db2.gz VCMUNYIQROSCRM-UHFFFAOYSA-N -1 3 348.377 4.424 20 10 EICDHM [O-]c1cccc2c(NCc3cccc(Br)c3[O-])cc[nH+]c12 ZINC000795174939 1054212565 /nfs/dbraw/zinc/21/25/65/1054212565.db2.gz YVGKTFXRNDBUSV-UHFFFAOYSA-N -1 3 345.196 4.021 20 10 EICDHM [O-]c1c(CN2CC3(CCOCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC000877589260 1055086890 /nfs/dbraw/zinc/08/68/90/1055086890.db2.gz KQDNQYGZKJWWEA-LJQANCHMSA-N -1 3 345.389 4.024 20 10 EICDHM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)c3ccccc3c1[O-])N2 ZINC000877862743 1055143102 /nfs/dbraw/zinc/14/31/02/1055143102.db2.gz NRKZTPMPGZFOMH-GOSISDBHSA-N -1 3 338.794 4.361 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1ccc(F)cc1 ZINC001202364207 1055152067 /nfs/dbraw/zinc/15/20/67/1055152067.db2.gz GXPJBZXEIOVLOB-UHFFFAOYSA-N -1 3 345.761 4.055 20 10 EICDHM C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1[O-] ZINC000186317177 1055352695 /nfs/dbraw/zinc/35/26/95/1055352695.db2.gz OXZVBLDFMITHHR-CXAGYDPISA-N -1 3 331.387 4.262 20 10 EICDHM CC[C@@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1[O-] ZINC000376831555 1023320196 /nfs/dbraw/zinc/32/01/96/1023320196.db2.gz AQJLKMZZMXTBCQ-HUUCEWRRSA-N -1 3 348.878 4.336 20 10 EICDHM C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1cc(F)cc(F)c1[O-] ZINC000756760376 1024425810 /nfs/dbraw/zinc/42/58/10/1024425810.db2.gz OBWVGTGCEHKYEP-XLKFXECMSA-N -1 3 325.742 4.108 20 10 EICDHM C[C@@H](NCc1cc(F)ccc1Br)c1ccc(F)cc1[O-] ZINC000062747863 1038239932 /nfs/dbraw/zinc/23/99/32/1038239932.db2.gz ZOPYAFAJXXDHGK-SECBINFHSA-N -1 3 342.183 4.284 20 10 EICDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CC(C)(C)C1 ZINC001204961777 1040273789 /nfs/dbraw/zinc/27/37/89/1040273789.db2.gz UOEJWVGNDLNOFW-SNVBAGLBSA-N -1 3 330.241 4.162 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1OC(F)(F)F ZINC000790946480 1045630854 /nfs/dbraw/zinc/63/08/54/1045630854.db2.gz BXEPNJAACUHOHL-UHFFFAOYSA-N -1 3 349.711 4.373 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1OCC1CC1 ZINC000790967445 1045640133 /nfs/dbraw/zinc/64/01/33/1045640133.db2.gz STAUIXNFTKBAIO-UHFFFAOYSA-N -1 3 335.806 4.263 20 10 EICDHM Cn1c2ccccc2nc1C(C)(C)NCc1c([O-])ccc(Cl)c1F ZINC000790989221 1045646243 /nfs/dbraw/zinc/64/62/43/1045646243.db2.gz AENVOLZWCFGPEF-UHFFFAOYSA-N -1 3 347.821 4.096 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000790976418 1045664408 /nfs/dbraw/zinc/66/44/08/1045664408.db2.gz BWSQCGGQOWNLQV-GFCCVEGCSA-N -1 3 328.170 4.061 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000791582726 1045765067 /nfs/dbraw/zinc/76/50/67/1045765067.db2.gz CGKCMKHKBQYFEG-OQPBUACISA-N -1 3 335.753 4.021 20 10 EICDHM O=[N+]([O-])c1cccc(CN(Cc2c([O-])cccc2Cl)C2CC2)c1 ZINC000768333550 1045789302 /nfs/dbraw/zinc/78/93/02/1045789302.db2.gz DUTBWIXGMAPFES-UHFFFAOYSA-N -1 3 332.787 4.118 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000768968624 1045864064 /nfs/dbraw/zinc/86/40/64/1045864064.db2.gz MORJSSHRDYUKSZ-CQSZACIVSA-N -1 3 333.819 4.033 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN(CCC(F)(F)F)CC1CC1 ZINC000792169643 1045872205 /nfs/dbraw/zinc/87/22/05/1045872205.db2.gz MWSFYWLTGFMEJF-UHFFFAOYSA-N -1 3 325.733 4.349 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1[O-] ZINC000769229057 1045897630 /nfs/dbraw/zinc/89/76/30/1045897630.db2.gz UOQDDZZTQQGVQZ-GFCCVEGCSA-N -1 3 349.352 4.002 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2CCO3)c1 ZINC000793325763 1046207113 /nfs/dbraw/zinc/20/71/13/1046207113.db2.gz MMNSYZISUFRIOW-UHFFFAOYSA-N -1 3 334.213 4.010 20 10 EICDHM Cc1ccc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c([O-])c1O ZINC000770481113 1046214257 /nfs/dbraw/zinc/21/42/57/1046214257.db2.gz KKJBTXVMGPMPSM-UHFFFAOYSA-N -1 3 349.386 4.475 20 10 EICDHM C[C@@]12CCN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]1C2(Cl)Cl ZINC000793609488 1046308578 /nfs/dbraw/zinc/30/85/78/1046308578.db2.gz BQHAPWMKMCHPGA-WCQYABFASA-N -1 3 338.637 4.200 20 10 EICDHM CC(C)Oc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168521917 1046377046 /nfs/dbraw/zinc/37/70/46/1046377046.db2.gz LJIDFVMYSQCFJQ-UHFFFAOYSA-N -1 3 343.814 4.388 20 10 EICDHM [O-]c1c(CNc2ccc3ncsc3n2)cc(Cl)c2cccnc12 ZINC001168522391 1046451749 /nfs/dbraw/zinc/45/17/49/1046451749.db2.gz QBZPELSQTIPXDI-UHFFFAOYSA-N -1 3 342.811 4.211 20 10 EICDHM [O-]c1c(CNc2cnc3c(c2)CCC3)cc(Cl)c2cccnc12 ZINC001168522859 1046700259 /nfs/dbraw/zinc/70/02/59/1046700259.db2.gz JZHYEHKNHBJRNN-UHFFFAOYSA-N -1 3 325.799 4.090 20 10 EICDHM Cn1ccc2ccnc(NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001168522940 1046749611 /nfs/dbraw/zinc/74/96/11/1046749611.db2.gz XETFGCVWZOVKJF-UHFFFAOYSA-N -1 3 338.798 4.093 20 10 EICDHM C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC000806176211 1047176953 /nfs/dbraw/zinc/17/69/53/1047176953.db2.gz JNXQUTJUXHKIAF-STQMWFEESA-N -1 3 343.377 4.268 20 10 EICDHM CCc1cnc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788607055 1047246397 /nfs/dbraw/zinc/24/63/97/1047246397.db2.gz BTWUPWFPQQRKAO-SECBINFHSA-N -1 3 330.375 4.281 20 10 EICDHM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000806661869 1047348086 /nfs/dbraw/zinc/34/80/86/1047348086.db2.gz FVTDRVHCKNLGRI-JVXZTZIISA-N -1 3 338.167 4.146 20 10 EICDHM Cc1cc([O-])c(CNCc2nc(C(F)(F)F)cs2)cc1Cl ZINC000825297309 1048066713 /nfs/dbraw/zinc/06/67/13/1048066713.db2.gz AOWDAAVQFYEGSR-UHFFFAOYSA-N -1 3 336.766 4.119 20 10 EICDHM Cc1cccc2nc(CN[C@@H](C)c3cccc(C(F)(F)F)c3[O-])cn21 ZINC000815578254 1048519046 /nfs/dbraw/zinc/51/90/46/1048519046.db2.gz KOOIXMTUYQTTGU-LBPRGKRZSA-N -1 3 349.356 4.218 20 10 EICDHM CN(Cc1ccccc1F)Cc1cc(Br)c(F)cc1[O-] ZINC001144300033 1048575537 /nfs/dbraw/zinc/57/55/37/1048575537.db2.gz OXNKKXMESOLWND-UHFFFAOYSA-N -1 3 342.183 4.065 20 10 EICDHM O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144301668 1048579622 /nfs/dbraw/zinc/57/96/22/1048579622.db2.gz TZZGDZIHEOZXCP-AGIUHOORSA-N -1 3 344.842 4.036 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cc(C3CC3)ccn2)c1 ZINC000810176234 1048668279 /nfs/dbraw/zinc/66/82/79/1048668279.db2.gz WSNSNMFDIFTZMV-UHFFFAOYSA-N -1 3 333.229 4.348 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](c1ccccc1)c1ccncc1 ZINC000816548108 1048828871 /nfs/dbraw/zinc/82/88/71/1048828871.db2.gz UZIFEHXALIGRIT-IBGZPJMESA-N -1 3 342.801 4.459 20 10 EICDHM [O-]c1c(CNc2cccc3cnoc32)cc(Cl)c2cccnc12 ZINC001168525591 1049759964 /nfs/dbraw/zinc/75/99/64/1049759964.db2.gz GYRYDCKXINOPSP-UHFFFAOYSA-N -1 3 325.755 4.347 20 10 EICDHM CC(C)Oc1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168525614 1049761292 /nfs/dbraw/zinc/76/12/92/1049761292.db2.gz HQGKXZWMOIGDRU-UHFFFAOYSA-N -1 3 343.814 4.388 20 10 EICDHM CCCN1C(=O)CCc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000824114609 1049901740 /nfs/dbraw/zinc/90/17/40/1049901740.db2.gz YSMCCKPBWCARDM-UHFFFAOYSA-N -1 3 344.842 4.347 20 10 EICDHM CCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)c1 ZINC000774930699 1050162404 /nfs/dbraw/zinc/16/24/04/1050162404.db2.gz UGAAQRURXWZUBW-UHFFFAOYSA-N -1 3 346.383 4.018 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1Cl ZINC001180077731 1050876266 /nfs/dbraw/zinc/87/62/66/1050876266.db2.gz TXIHQIIAFAQBGN-SJCJKPOMSA-N -1 3 337.872 4.378 20 10 EICDHM CCOCc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168526473 1051025106 /nfs/dbraw/zinc/02/51/06/1051025106.db2.gz WSBZFBMWRDIRKD-UHFFFAOYSA-N -1 3 343.814 4.137 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)c(C)c1O ZINC000775294127 1051041339 /nfs/dbraw/zinc/04/13/39/1051041339.db2.gz IEVIFZYFCGLNNY-UHFFFAOYSA-N -1 3 339.844 4.080 20 10 EICDHM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001191253311 1051395720 /nfs/dbraw/zinc/39/57/20/1051395720.db2.gz MANBBFFKZSRVDT-UHFFFAOYSA-N -1 3 333.453 4.152 20 10 EICDHM Nc1ccc(N(c2ccc(N)cc2)c2c(F)ccc([O-])c2F)cc1 ZINC001175270049 1051506656 /nfs/dbraw/zinc/50/66/56/1051506656.db2.gz UHHHCFQACXCFHF-UHFFFAOYSA-N -1 3 327.334 4.305 20 10 EICDHM C[C@H](Nc1cnn(C)c1C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354189 1051573641 /nfs/dbraw/zinc/57/36/41/1051573641.db2.gz CUAVUJBQMGXFQR-QMMMGPOBSA-N -1 3 326.227 4.483 20 10 EICDHM CC[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775523756 1051700722 /nfs/dbraw/zinc/70/07/22/1051700722.db2.gz MBIXKPRKMCEUJR-GJZGRUSLSA-N -1 3 341.785 4.098 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183779533 1051895040 /nfs/dbraw/zinc/89/50/40/1051895040.db2.gz OQXLVOTVHNORBM-SNVBAGLBSA-N -1 3 341.760 4.452 20 10 EICDHM CC(C)(C)c1nccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528674 1052634601 /nfs/dbraw/zinc/63/46/01/1052634601.db2.gz YMUPWPIDNGQRLO-UHFFFAOYSA-N -1 3 342.830 4.293 20 10 EICDHM C[C@H](NCc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1[O-] ZINC000850520957 1053276773 /nfs/dbraw/zinc/27/67/73/1053276773.db2.gz KHVXLSYRPNVNOA-JTQLQIEISA-N -1 3 337.341 4.202 20 10 EICDHM C[C@H](NCc1c(F)cc(F)c(F)c1F)c1cc(Cl)ccc1[O-] ZINC000797586134 1053538455 /nfs/dbraw/zinc/53/84/55/1053538455.db2.gz WDWSIFSBPXVVLL-ZETCQYMHSA-N -1 3 333.712 4.453 20 10 EICDHM O=c1[n-]ccc(Nc2ccc(NCC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000853251732 1053660088 /nfs/dbraw/zinc/66/00/88/1053660088.db2.gz CTKPXQRPGOSGLG-UHFFFAOYSA-N -1 3 328.372 4.041 20 10 EICDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775713699 1053664178 /nfs/dbraw/zinc/66/41/78/1053664178.db2.gz LWDBNUNASHJHHW-AWEZNQCLSA-N -1 3 347.817 4.280 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000776668550 1053674617 /nfs/dbraw/zinc/67/46/17/1053674617.db2.gz JUPWREJPQCNSTE-NJWFCXLTSA-N -1 3 337.419 4.196 20 10 EICDHM C[C@H](Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)c1ccc(F)cc1[O-] ZINC000866624113 1053810082 /nfs/dbraw/zinc/81/00/82/1053810082.db2.gz ABRJYRAJSFCXSW-NSHDSACASA-N -1 3 344.386 4.062 20 10 EICDHM C[C@H](NCc1ncc(Cl)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000872112798 1054392230 /nfs/dbraw/zinc/39/22/30/1054392230.db2.gz LRACQOSRNHMYSB-ZETCQYMHSA-N -1 3 336.766 4.372 20 10 EICDHM CC1(C)C[C@H](NCc2cc(F)cc(F)c2[O-])c2ccc(F)cc2O1 ZINC001201595828 1054858829 /nfs/dbraw/zinc/85/88/29/1054858829.db2.gz URUYZCWQBALEHU-HNNXBMFYSA-N -1 3 337.341 4.202 20 10 EICDHM C[C@H](c1cccc(O)c1)N(C)Cc1c([O-])cccc1Br ZINC000862243389 1055035044 /nfs/dbraw/zinc/03/50/44/1055035044.db2.gz ZPZXHELZZOHFNY-LLVKDONJSA-N -1 3 336.229 4.053 20 10 EICDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@H]1c1cccnc1 ZINC000825959203 1055043715 /nfs/dbraw/zinc/04/37/15/1055043715.db2.gz COJDXEJOLLQFPC-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1cccc(F)c1 ZINC001202232841 1055109309 /nfs/dbraw/zinc/10/93/09/1055109309.db2.gz OQKUUVFLVIFDEU-UHFFFAOYSA-N -1 3 345.761 4.055 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1cc2c(cc1Cl)OCCO2 ZINC000127256959 1055365809 /nfs/dbraw/zinc/36/58/09/1055365809.db2.gz YCVHEZAWHWQOCA-UHFFFAOYSA-N -1 3 326.179 4.082 20 10 EICDHM Cc1ccn(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000375922168 1031520288 /nfs/dbraw/zinc/52/02/88/1031520288.db2.gz UVTZFRZQEOYSHF-UHFFFAOYSA-N -1 3 340.254 4.041 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(O)c2)c1[O-] ZINC000177280684 1031538492 /nfs/dbraw/zinc/53/84/92/1031538492.db2.gz KHZGIUHJMYNABM-NSHDSACASA-N -1 3 333.815 4.147 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])c(OC)cc1Cl ZINC000170788758 1036842683 /nfs/dbraw/zinc/84/26/83/1036842683.db2.gz BWBUVAYYFDDUKV-VIFPVBQESA-N -1 3 325.767 4.375 20 10 EICDHM CC(=O)N(c1ccc(NCc2c([O-])cccc2Cl)cc1)C1CC1 ZINC000292993444 1042191840 /nfs/dbraw/zinc/19/18/40/1042191840.db2.gz MJMYSHKRZVTITK-UHFFFAOYSA-N -1 3 330.815 4.173 20 10 EICDHM CC[C@H](NCc1cc(F)cnc1Cl)c1cccc(Cl)c1[O-] ZINC000297342379 1042704353 /nfs/dbraw/zinc/70/43/53/1042704353.db2.gz ONMIKGQQSPCJGF-ZDUSSCGKSA-N -1 3 329.202 4.474 20 10 EICDHM COc1ccc([O-])c(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000740800769 1045224313 /nfs/dbraw/zinc/22/43/13/1045224313.db2.gz FLJKNKCNBKQQSG-UHFFFAOYSA-N -1 3 340.423 4.034 20 10 EICDHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790523287 1045523897 /nfs/dbraw/zinc/52/38/97/1045523897.db2.gz QKACSKKFUFAWPE-SECBINFHSA-N -1 3 340.206 4.238 20 10 EICDHM C[C@H]1c2ccsc2CCN1Cc1cccc(Br)c1[O-] ZINC000768209421 1045743293 /nfs/dbraw/zinc/74/32/93/1045743293.db2.gz QOIMCYWBXVAKBH-JTQLQIEISA-N -1 3 338.270 4.336 20 10 EICDHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000792174949 1045872401 /nfs/dbraw/zinc/87/24/01/1045872401.db2.gz OGRLQEAOXNVZHP-PSASIEDQSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000792174951 1045873450 /nfs/dbraw/zinc/87/34/50/1045873450.db2.gz OGRLQEAOXNVZHP-SCZZXKLOSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@H](NCc1cccc(Cl)c1[O-])c1ccc(Br)cn1 ZINC000793333553 1046211788 /nfs/dbraw/zinc/21/17/88/1046211788.db2.gz MBSOYMDZTFFZKE-VIFPVBQESA-N -1 3 341.636 4.054 20 10 EICDHM [O-]c1c(CNc2ccc(C3CCC3)nn2)cc(Cl)c2cccnc12 ZINC001168521953 1046382902 /nfs/dbraw/zinc/38/29/02/1046382902.db2.gz MCYFQOSNOMNCOP-UHFFFAOYSA-N -1 3 340.814 4.263 20 10 EICDHM [O-]c1c(CNc2cccc3nsnc32)cc(Cl)c2cccnc12 ZINC001168523156 1046850030 /nfs/dbraw/zinc/85/00/30/1046850030.db2.gz KURSVHIIVPPKMJ-UHFFFAOYSA-N -1 3 342.811 4.211 20 10 EICDHM COC[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000786955812 1046883659 /nfs/dbraw/zinc/88/36/59/1046883659.db2.gz DPVRXYZYRPGWJZ-QLJPJBMISA-N -1 3 341.785 4.362 20 10 EICDHM [O-]c1c(CNc2cccc3c2CCN3)cc(Cl)c2cccnc12 ZINC001168523384 1047185111 /nfs/dbraw/zinc/18/51/11/1047185111.db2.gz NXBIJTUQKFYAKD-UHFFFAOYSA-N -1 3 325.799 4.174 20 10 EICDHM C[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788708743 1047275231 /nfs/dbraw/zinc/27/52/31/1047275231.db2.gz AFKAZPQGIRJVBX-SNVBAGLBSA-N -1 3 325.334 4.191 20 10 EICDHM [O-]c1c(CNc2cccc3c2OCC3)cc(Cl)c2cccnc12 ZINC001168523801 1047454077 /nfs/dbraw/zinc/45/40/77/1047454077.db2.gz SNBHJGFADOAWKF-UHFFFAOYSA-N -1 3 326.783 4.141 20 10 EICDHM COc1cc(C(F)(F)F)ncc1NCc1c([O-])cccc1Cl ZINC000790247668 1047541868 /nfs/dbraw/zinc/54/18/68/1047541868.db2.gz QYNYCQHSWOTAQJ-UHFFFAOYSA-N -1 3 332.709 4.080 20 10 EICDHM [O-]c1c(Cl)cccc1CNCc1ccc(CSC(F)F)o1 ZINC000898219761 1047570225 /nfs/dbraw/zinc/57/02/25/1047570225.db2.gz LERYYOMEPBMNNZ-UHFFFAOYSA-N -1 3 333.787 4.384 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000808429288 1047895474 /nfs/dbraw/zinc/89/54/74/1047895474.db2.gz IBPPDQZSDMWGKF-AWEZNQCLSA-N -1 3 344.213 4.051 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CCO)c1ccc(Cl)cc1 ZINC000808429289 1047896782 /nfs/dbraw/zinc/89/67/82/1047896782.db2.gz IBPPDQZSDMWGKF-CQSZACIVSA-N -1 3 344.213 4.051 20 10 EICDHM COC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000808453954 1047920390 /nfs/dbraw/zinc/92/03/90/1047920390.db2.gz BPORPVBVKJFYCU-CQSZACIVSA-N -1 3 344.213 4.315 20 10 EICDHM CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(C(F)(F)F)cc1[O-] ZINC000824758169 1047943070 /nfs/dbraw/zinc/94/30/70/1047943070.db2.gz MHISAKRJLFJVDH-GFCCVEGCSA-N -1 3 347.768 4.039 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cc(F)c(F)c(F)c1 ZINC000809775648 1048505880 /nfs/dbraw/zinc/50/58/80/1048505880.db2.gz HBSLBIPKQSFOEI-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM CC[C@H](NCc1cnccc1OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815629693 1048553273 /nfs/dbraw/zinc/55/32/73/1048553273.db2.gz KBLUEBFAYGVZDG-ZDUSSCGKSA-N -1 3 341.238 4.344 20 10 EICDHM COc1ccc(F)cc1[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816536297 1048825222 /nfs/dbraw/zinc/82/52/22/1048825222.db2.gz QXLWSANGVROYKV-SECBINFHSA-N -1 3 327.758 4.183 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1COc2ccc(Cl)cc21 ZINC000816556618 1048833714 /nfs/dbraw/zinc/83/37/14/1048833714.db2.gz OTWHENLZCBCKTC-ZDUSSCGKSA-N -1 3 328.170 4.061 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1COc2c1cccc2Cl ZINC000816557531 1048834112 /nfs/dbraw/zinc/83/41/12/1048834112.db2.gz ULESCZPCKGSQMB-CYBMUJFWSA-N -1 3 328.170 4.061 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1c(F)cc(F)c(F)c1F ZINC000816593970 1048840410 /nfs/dbraw/zinc/84/04/10/1048840410.db2.gz LFEJOYJVAHHEDT-UHFFFAOYSA-N -1 3 337.675 4.031 20 10 EICDHM C[C@@]12CCN(Cc3cc(Cl)c(F)cc3[O-])C[C@@H]1C2(Cl)Cl ZINC000816603705 1048842236 /nfs/dbraw/zinc/84/22/36/1048842236.db2.gz NXRGWZNSPNBPIB-QWHCGFSZSA-N -1 3 338.637 4.200 20 10 EICDHM O=C(Nc1ccccc1-c1ccc(Cl)cn1)c1cccc(O)c1[O-] ZINC001148218971 1049279741 /nfs/dbraw/zinc/27/97/41/1049279741.db2.gz PQCPWLOIMPXBHW-UHFFFAOYSA-N -1 3 340.766 4.066 20 10 EICDHM O=C(Nc1ccc(C2CC2)c2ccccc12)c1cc(O)c([O-])c(O)c1 ZINC001148585916 1049340965 /nfs/dbraw/zinc/34/09/65/1049340965.db2.gz DTOAWZBMIDYKBR-UHFFFAOYSA-N -1 3 335.359 4.086 20 10 EICDHM CCCCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774926028 1050160648 /nfs/dbraw/zinc/16/06/48/1050160648.db2.gz DQRAIMUNWHXFQX-UHFFFAOYSA-N -1 3 346.383 4.100 20 10 EICDHM O=C(C[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001179925146 1050820120 /nfs/dbraw/zinc/82/01/20/1050820120.db2.gz NKIWSXDCFJLLLL-INIZCTEOSA-N -1 3 349.352 4.047 20 10 EICDHM COc1ccccc1[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001180189184 1050908581 /nfs/dbraw/zinc/90/85/81/1050908581.db2.gz OCXZNZZDMNBAPX-QGZVFWFLSA-N -1 3 333.378 4.406 20 10 EICDHM CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001180392711 1050977616 /nfs/dbraw/zinc/97/76/16/1050977616.db2.gz GOBATYHYCYNWTO-UHFFFAOYSA-N -1 3 347.283 4.201 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1 ZINC001190445681 1051174502 /nfs/dbraw/zinc/17/45/02/1051174502.db2.gz VRVHBNVFHBXOKG-UHFFFAOYSA-N -1 3 337.416 4.020 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCCOc3ccccc32)c1 ZINC001182160686 1051408665 /nfs/dbraw/zinc/40/86/65/1051408665.db2.gz JNVOJCMDFWWQNV-UHFFFAOYSA-N -1 3 348.240 4.252 20 10 EICDHM C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774300284 1051544675 /nfs/dbraw/zinc/54/46/75/1051544675.db2.gz CCRNVRRWEGZHLN-JTQLQIEISA-N -1 3 349.221 4.453 20 10 EICDHM Cc1cccc2c1N[C@@H](c1cc(Cl)c3ccccc3c1[O-])NC2=O ZINC000774547665 1051721364 /nfs/dbraw/zinc/72/13/64/1051721364.db2.gz QQBFUICQOJNAHB-GOSISDBHSA-N -1 3 338.794 4.361 20 10 EICDHM [O-]c1cc(Br)ccc1CN[C@H](CF)c1ccc(F)cc1 ZINC001183427936 1051842062 /nfs/dbraw/zinc/84/20/62/1051842062.db2.gz DJSFORAPEXROJV-CQSZACIVSA-N -1 3 342.183 4.094 20 10 EICDHM COc1c([O-])c(CNc2ccc(C(C)(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC001183584633 1051869872 /nfs/dbraw/zinc/86/98/72/1051869872.db2.gz ZOAGTVLWDSPBKG-UHFFFAOYSA-N -1 3 348.374 4.358 20 10 EICDHM CCC(CC)COC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194721356 1053087153 /nfs/dbraw/zinc/08/71/53/1053087153.db2.gz GWAXAFSHBNYJMH-UHFFFAOYSA-N -1 3 336.819 4.256 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC2CCCCC2)CC1 ZINC000775668689 1053466114 /nfs/dbraw/zinc/46/61/14/1053466114.db2.gz GZROOZFTMLBVDE-UHFFFAOYSA-N -1 3 341.854 4.498 20 10 EICDHM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685488 1053563248 /nfs/dbraw/zinc/56/32/48/1053563248.db2.gz OMJMFUHEEUQDTH-SECBINFHSA-N -1 3 328.840 4.451 20 10 EICDHM C[C@@H](NCc1ccsc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866405901 1053718339 /nfs/dbraw/zinc/71/83/39/1053718339.db2.gz MLWSRKFITAJLPA-MRVPVSSYSA-N -1 3 346.330 4.232 20 10 EICDHM C[C@H](NCc1ccc(OC(F)F)cc1F)c1cc(F)cc(F)c1[O-] ZINC000866541683 1053774833 /nfs/dbraw/zinc/77/48/33/1053774833.db2.gz QXNDJFADJCYEPH-QMMMGPOBSA-N -1 3 347.283 4.262 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cncc(C)c2)c1[O-] ZINC001197135805 1053835956 /nfs/dbraw/zinc/83/59/56/1053835956.db2.gz QBJSCSLKRXKRAR-SFHVURJKSA-N -1 3 344.842 4.289 20 10 EICDHM C[C@@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000872116421 1054396262 /nfs/dbraw/zinc/39/62/62/1054396262.db2.gz LQJKOSJUPLXTBE-MRVPVSSYSA-N -1 3 348.727 4.449 20 10 EICDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@@H]1c1ccncc1 ZINC000825998897 1055123670 /nfs/dbraw/zinc/12/36/70/1055123670.db2.gz XWAJPAVKKXRRCZ-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM Cc1cccc(NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001202318122 1055138463 /nfs/dbraw/zinc/13/84/63/1055138463.db2.gz ZHAJTWOAGRQNRK-UHFFFAOYSA-N -1 3 341.798 4.224 20 10 EICDHM COc1cc(NCc2c([O-])cccc2Cl)c(OC)cc1Cl ZINC000127228918 1055353190 /nfs/dbraw/zinc/35/31/90/1055353190.db2.gz SQQXTBDCGLMBNH-UHFFFAOYSA-N -1 3 328.195 4.328 20 10 EICDHM [O-]c1c(Br)cccc1CNCc1ccc(F)c(Cl)c1 ZINC000053149650 214165629 /nfs/dbraw/zinc/16/56/29/214165629.db2.gz QIWUFVVVLTYWQK-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM Cc1cc([O-])c(CN[C@H]2CCCc3cn(C(C)C)nc32)c(Cl)c1 ZINC000840939360 1027795536 /nfs/dbraw/zinc/79/55/36/1027795536.db2.gz LSXQGNMTQKZXSL-INIZCTEOSA-N -1 3 333.863 4.299 20 10 EICDHM CC[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1[O-] ZINC000375862622 1031387314 /nfs/dbraw/zinc/38/73/14/1031387314.db2.gz SRSAIGQCZYGVGJ-SFHVURJKSA-N -1 3 337.398 4.229 20 10 EICDHM CC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1[O-] ZINC000375862620 1031388111 /nfs/dbraw/zinc/38/81/11/1031388111.db2.gz SRSAIGQCZYGVGJ-GOSISDBHSA-N -1 3 337.398 4.229 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)c1[O-] ZINC000780386170 1031627150 /nfs/dbraw/zinc/62/71/50/1031627150.db2.gz VHEFLGHLOKGCAI-JOYOIKCWSA-N -1 3 349.780 4.411 20 10 EICDHM C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532012 1037498205 /nfs/dbraw/zinc/49/82/05/1037498205.db2.gz WMVXJBNXKWDWDY-PRHODGIISA-N -1 3 326.227 4.150 20 10 EICDHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790873062 1045607048 /nfs/dbraw/zinc/60/70/48/1045607048.db2.gz GCXRQDJAFBZEKS-KSSFIOAISA-N -1 3 325.408 4.020 20 10 EICDHM CN(Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768196678 1045752440 /nfs/dbraw/zinc/75/24/40/1045752440.db2.gz FPCKZKBNYYEHIG-UHFFFAOYSA-N -1 3 340.206 4.060 20 10 EICDHM Nc1ccc(N(c2ccc(N)cc2)c2ccc([O-])c(F)c2F)cc1 ZINC001212013848 1045834759 /nfs/dbraw/zinc/83/47/59/1045834759.db2.gz MCWPVXBVDPWMOY-UHFFFAOYSA-N -1 3 327.334 4.305 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333114 1045924794 /nfs/dbraw/zinc/92/47/94/1045924794.db2.gz OYFDEYXQTTUZPE-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000769476222 1045990827 /nfs/dbraw/zinc/99/08/27/1045990827.db2.gz XHAWURJDMNEAKV-SGTLLEGYSA-N -1 3 335.806 4.147 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000769747863 1046068274 /nfs/dbraw/zinc/06/82/74/1046068274.db2.gz TZOFENBTRDFJAV-HNNXBMFYSA-N -1 3 331.799 4.119 20 10 EICDHM Cn1c2ccccc2nc1C(C)(C)NCc1cc(Cl)cc(F)c1[O-] ZINC000770665287 1046245912 /nfs/dbraw/zinc/24/59/12/1046245912.db2.gz PWZGZQHANHQOCQ-UHFFFAOYSA-N -1 3 347.821 4.096 20 10 EICDHM CC(C)c1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522513 1046568858 /nfs/dbraw/zinc/56/88/58/1046568858.db2.gz TWXUVYHMXRMRMW-UHFFFAOYSA-N -1 3 328.803 4.119 20 10 EICDHM [O-]c1c(CNc2cnc3[nH]cc(F)c3c2)cc(Cl)c2cccnc12 ZINC001168522578 1046626017 /nfs/dbraw/zinc/62/60/17/1046626017.db2.gz FYADVKQWEJCSIF-UHFFFAOYSA-N -1 3 342.761 4.221 20 10 EICDHM COC[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000786955810 1046883987 /nfs/dbraw/zinc/88/39/87/1046883987.db2.gz DPVRXYZYRPGWJZ-QFYYESIMSA-N -1 3 341.785 4.362 20 10 EICDHM CC[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1[O-] ZINC000806129748 1047152691 /nfs/dbraw/zinc/15/26/91/1047152691.db2.gz JGKHLSHANIZGNZ-SWLSCSKDSA-N -1 3 348.878 4.165 20 10 EICDHM COC[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccc(C)o1 ZINC000788607744 1047245777 /nfs/dbraw/zinc/24/57/77/1047245777.db2.gz CGYKRLVOLWOJJV-RISCZKNCSA-N -1 3 343.345 4.351 20 10 EICDHM C[C@@H](Nc1ccc2c(c1)ncn2C)c1cccc(C(F)(F)F)c1[O-] ZINC000788729032 1047282778 /nfs/dbraw/zinc/28/27/78/1047282778.db2.gz IHXISIAJCODBLE-SNVBAGLBSA-N -1 3 335.329 4.471 20 10 EICDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])c2nccn2c1 ZINC001168523822 1047459120 /nfs/dbraw/zinc/45/91/20/1047459120.db2.gz STNROOHISZVKSY-UHFFFAOYSA-N -1 3 338.798 4.162 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)c([O-])c1O ZINC001136967241 1048004667 /nfs/dbraw/zinc/00/46/67/1048004667.db2.gz VUPBQUHLGFGPTI-UHFFFAOYSA-N -1 3 329.396 4.083 20 10 EICDHM CCSCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000825068081 1048028471 /nfs/dbraw/zinc/02/84/71/1048028471.db2.gz IMVDRWMVGGNXNC-UHFFFAOYSA-N -1 3 348.424 4.174 20 10 EICDHM Cc1ccc2nc(CN[C@H](C)c3cccc(C(F)(F)F)c3[O-])cn2c1 ZINC000815576585 1048518777 /nfs/dbraw/zinc/51/87/77/1048518777.db2.gz UBIHVFKCPYEIGS-GFCCVEGCSA-N -1 3 349.356 4.218 20 10 EICDHM CC(C)c1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])on1 ZINC000815580114 1048520147 /nfs/dbraw/zinc/52/01/47/1048520147.db2.gz CJVHEFRJGUACJJ-SNVBAGLBSA-N -1 3 328.334 4.373 20 10 EICDHM COCCc1ccnc(N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000815625741 1048551867 /nfs/dbraw/zinc/55/18/67/1048551867.db2.gz LBFXJRCVBJFYLH-NSHDSACASA-N -1 3 340.345 4.168 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1CCC12CCCCC2 ZINC001144293718 1048571508 /nfs/dbraw/zinc/57/15/08/1048571508.db2.gz RXFLMLBHXCUQFP-UHFFFAOYSA-N -1 3 328.225 4.202 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000816502690 1048821967 /nfs/dbraw/zinc/82/19/67/1048821967.db2.gz LUELLWNNUWJANY-SFHVURJKSA-N -1 3 335.806 4.148 20 10 EICDHM CC(C)COC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000816544466 1048826739 /nfs/dbraw/zinc/82/67/39/1048826739.db2.gz JLTZEMUQVDJZBW-OAHLLOKOSA-N -1 3 341.810 4.281 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccccc1Br ZINC000816543428 1048827237 /nfs/dbraw/zinc/82/72/37/1048827237.db2.gz AOXPGFYMFJHXNM-UHFFFAOYSA-N -1 3 344.611 4.237 20 10 EICDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000816611922 1048843465 /nfs/dbraw/zinc/84/34/65/1048843465.db2.gz APOUPQRVAJZIKB-GFCCVEGCSA-N -1 3 345.805 4.221 20 10 EICDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])[C@H]1c1ccncc1 ZINC000816621897 1048845255 /nfs/dbraw/zinc/84/52/55/1048845255.db2.gz RKTDMLIVGINUNU-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM CC1(C)CN(Cc2ccc3ccccc3c2[O-])C[C@H](C(F)(F)F)O1 ZINC000816616735 1048845440 /nfs/dbraw/zinc/84/54/40/1048845440.db2.gz FEGNYTURHMXIEA-OAHLLOKOSA-N -1 3 339.357 4.087 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c([O-])c1O ZINC001135732263 1048877598 /nfs/dbraw/zinc/87/75/98/1048877598.db2.gz LOXJQJCGSDNTEB-UHFFFAOYSA-N -1 3 331.371 4.230 20 10 EICDHM COc1ccc2c(c1)C1(CC1)CN(Cc1cccc(Cl)c1[O-])C2 ZINC000811518601 1049107090 /nfs/dbraw/zinc/10/70/90/1049107090.db2.gz MINJWHOURFHEQH-UHFFFAOYSA-N -1 3 329.827 4.102 20 10 EICDHM Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c([O-])c1 ZINC001148499789 1049328816 /nfs/dbraw/zinc/32/88/16/1049328816.db2.gz DGQQMYJXMYEBFS-UHFFFAOYSA-N -1 3 332.403 4.130 20 10 EICDHM CCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([O-])c1 ZINC001136334865 1049493265 /nfs/dbraw/zinc/49/32/65/1049493265.db2.gz ICQNEYDHDKBNNN-UHFFFAOYSA-N -1 3 340.467 4.071 20 10 EICDHM CC(C)(NCc1c([O-])ccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000813792132 1049817802 /nfs/dbraw/zinc/81/78/02/1049817802.db2.gz QQQQRCDQKLQIRQ-UHFFFAOYSA-N -1 3 338.766 4.118 20 10 EICDHM [O-]c1c(CNc2ccc3cnccc3n2)cc(Cl)c2cccnc12 ZINC001168526228 1050304711 /nfs/dbraw/zinc/30/47/11/1050304711.db2.gz UEYUNSRJQBBHLW-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM COc1ccccc1CN(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237082815 1050661479 /nfs/dbraw/zinc/66/14/79/1050661479.db2.gz VDZOLECOMNILNE-UHFFFAOYSA-N -1 3 326.223 4.340 20 10 EICDHM Cc1noc(C2CC2)c1NCc1cc(C)cc(Br)c1[O-] ZINC001179588337 1050726971 /nfs/dbraw/zinc/72/69/71/1050726971.db2.gz AKNFIOVFNLMHBE-UHFFFAOYSA-N -1 3 337.217 4.249 20 10 EICDHM COc1c(Cl)cccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001179690413 1050749322 /nfs/dbraw/zinc/74/93/22/1050749322.db2.gz FZBCJBITEQKXMR-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM Cc1cccc([O-])c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001188648385 1050812355 /nfs/dbraw/zinc/81/23/55/1050812355.db2.gz HJPXAHGWKHYTRT-UHFFFAOYSA-N -1 3 332.403 4.130 20 10 EICDHM COc1ccccc1[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC001180189742 1050922324 /nfs/dbraw/zinc/92/23/24/1050922324.db2.gz VRKFLFAHTRWSSR-KRWDZBQOSA-N -1 3 333.378 4.406 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC001182460627 1051593014 /nfs/dbraw/zinc/59/30/14/1051593014.db2.gz AKTMAVRDQWEUAF-SECBINFHSA-N -1 3 325.733 4.349 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CC(C)(c3ccccc3)C2)c1 ZINC001183009369 1051760882 /nfs/dbraw/zinc/76/08/82/1051760882.db2.gz CTTASSKEWBABRB-UHFFFAOYSA-N -1 3 346.268 4.237 20 10 EICDHM Cc1cc([O-])c(CN2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181779 1051802541 /nfs/dbraw/zinc/80/25/41/1051802541.db2.gz YEDQOXQIHWYFTM-GOSISDBHSA-N -1 3 339.863 4.050 20 10 EICDHM COc1c([O-])c(CNc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000774915709 1052284161 /nfs/dbraw/zinc/28/41/61/1052284161.db2.gz SUEPDGKAEQMTON-UHFFFAOYSA-N -1 3 330.384 4.219 20 10 EICDHM COc1cccc(OC)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000850355573 1053127106 /nfs/dbraw/zinc/12/71/06/1053127106.db2.gz JFXYOBVAZMQDSJ-UHFFFAOYSA-N -1 3 342.222 4.006 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(OC2CC2)c1F ZINC000850365166 1053140404 /nfs/dbraw/zinc/14/04/04/1053140404.db2.gz GRFODEVFPKDIRI-UHFFFAOYSA-N -1 3 339.769 4.155 20 10 EICDHM O=[N+]([O-])c1ccc(CN(Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775651502 1053396866 /nfs/dbraw/zinc/39/68/66/1053396866.db2.gz PFORRAVPMZNYKG-UHFFFAOYSA-N -1 3 332.787 4.118 20 10 EICDHM C[C@@H](NCc1csc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858562380 1054518593 /nfs/dbraw/zinc/51/85/93/1054518593.db2.gz CNZOXXGDYVGLER-MRVPVSSYSA-N -1 3 346.330 4.232 20 10 EICDHM CC[C@H](c1ccncc1)N(C)Cc1c([O-])cccc1Br ZINC000862368214 1055056267 /nfs/dbraw/zinc/05/62/67/1055056267.db2.gz FDUUPJXMGLSGHB-OAHLLOKOSA-N -1 3 335.245 4.133 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1COc2c1cccc2Cl ZINC000776251237 1055059277 /nfs/dbraw/zinc/05/92/77/1055059277.db2.gz RSOWYTICDGRMOA-ZDUSSCGKSA-N -1 3 328.170 4.061 20 10 EICDHM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000186316344 1055349046 /nfs/dbraw/zinc/34/90/46/1055349046.db2.gz JUKBYCRDJANPIO-GUYCJALGSA-N -1 3 331.387 4.262 20 10 EICDHM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1[O-] ZINC000186316384 1055351351 /nfs/dbraw/zinc/35/13/51/1055351351.db2.gz JUKBYCRDJANPIO-SUMWQHHRSA-N -1 3 331.387 4.262 20 10 EICDHM [O-]c1ccc2ccncc2c1CN(Cc1ccccc1)CC(F)F ZINC000743396668 1058974965 /nfs/dbraw/zinc/97/49/65/1058974965.db2.gz AWOVCGKYMVCGQC-UHFFFAOYSA-N -1 3 328.362 4.208 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1CC2(C1)CCCCC2 ZINC001144306852 1048581713 /nfs/dbraw/zinc/58/17/13/1048581713.db2.gz UHZCPIDMORIBSF-UHFFFAOYSA-N -1 3 328.225 4.060 20 10 EICDHM Cc1nnc([C@@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278812734 1023484449 /nfs/dbraw/zinc/48/44/49/1023484449.db2.gz RZTKPCRMBBCFKF-RNFRBKRXSA-N -1 3 332.256 4.271 20 10 EICDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nccn1-c1ccccc1 ZINC000377411225 1023522044 /nfs/dbraw/zinc/52/20/44/1023522044.db2.gz ZFEKYRVXLKOTSP-GFCCVEGCSA-N -1 3 345.805 4.221 20 10 EICDHM C[C@H]1CN(c2ccc(NCc3c([O-])cccc3Cl)cc2)C[C@H](C)O1 ZINC000124875047 1023971031 /nfs/dbraw/zinc/97/10/31/1023971031.db2.gz DMHDKJXOVJYMMB-KBPBESRZSA-N -1 3 346.858 4.271 20 10 EICDHM O=C1/C(=C/c2ccc([O-])c(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000255431314 1025307939 /nfs/dbraw/zinc/30/79/39/1025307939.db2.gz JZPRAPNTPKUCFN-ZSOIEALJSA-N -1 3 349.383 4.076 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226180 1027346519 /nfs/dbraw/zinc/34/65/19/1027346519.db2.gz CWBKXRSEJIOKBI-LBPRGKRZSA-N -1 3 341.707 4.051 20 10 EICDHM CC(C)c1nnc([C@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278160494 1028340080 /nfs/dbraw/zinc/34/00/80/1028340080.db2.gz AWSHSAREKOXCGT-BDAKNGLRSA-N -1 3 343.258 4.352 20 10 EICDHM C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Cl)ccc1[O-] ZINC000186060940 1030243265 /nfs/dbraw/zinc/24/32/65/1030243265.db2.gz APFKHZQSRRIYQG-CYBMUJFWSA-N -1 3 339.826 4.353 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2OCC3)c1 ZINC000527761528 1030836105 /nfs/dbraw/zinc/83/61/05/1030836105.db2.gz LFKUGGSOFNTOFR-UHFFFAOYSA-N -1 3 334.213 4.010 20 10 EICDHM C[C@@H](N[C@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365922 1037435843 /nfs/dbraw/zinc/43/58/43/1037435843.db2.gz FBTGHVMCPOLKDH-BMIGLBTASA-N -1 3 348.786 4.128 20 10 EICDHM C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532019 1037496463 /nfs/dbraw/zinc/49/64/63/1037496463.db2.gz WMVXJBNXKWDWDY-UFBFGSQYSA-N -1 3 326.227 4.150 20 10 EICDHM C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532008 1037498409 /nfs/dbraw/zinc/49/84/09/1037498409.db2.gz WMVXJBNXKWDWDY-PELKAZGASA-N -1 3 326.227 4.150 20 10 EICDHM CSc1cccc(F)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287730337 1041493312 /nfs/dbraw/zinc/49/33/12/1041493312.db2.gz YIXNAEHZUSZBHM-JTQLQIEISA-N -1 3 336.388 4.012 20 10 EICDHM CC[C@H](NCc1cc(F)cc(F)c1[O-])c1cc(F)ccc1OC ZINC000922618402 1044851889 /nfs/dbraw/zinc/85/18/89/1044851889.db2.gz MFJBWAVWBQTXAK-HNNXBMFYSA-N -1 3 325.330 4.059 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1CCCc1ccccc1 ZINC000790904665 1045629592 /nfs/dbraw/zinc/62/95/92/1045629592.db2.gz XIXLKFZYJBMALQ-QGZVFWFLSA-N -1 3 339.435 4.115 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(C(F)(F)F)c1 ZINC000790947254 1045631225 /nfs/dbraw/zinc/63/12/25/1045631225.db2.gz NGPOPNWJQABEJK-UHFFFAOYSA-N -1 3 333.712 4.493 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cc3c[nH]nc3cc2C)c1 ZINC000790995269 1045649700 /nfs/dbraw/zinc/64/97/00/1045649700.db2.gz BKFIGZRZJZSJIS-UHFFFAOYSA-N -1 3 346.228 4.260 20 10 EICDHM Cc1ccc(OC(F)F)c(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790976636 1045659469 /nfs/dbraw/zinc/65/94/69/1045659469.db2.gz JUZJRSPWQGWXLU-UHFFFAOYSA-N -1 3 345.748 4.384 20 10 EICDHM CCCCCn1cc(CNCc2c([O-])ccc(Cl)c2F)c(C)n1 ZINC000790981479 1045666832 /nfs/dbraw/zinc/66/68/32/1045666832.db2.gz MHTOPAWDIAXXFZ-UHFFFAOYSA-N -1 3 339.842 4.170 20 10 EICDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768373398 1045802367 /nfs/dbraw/zinc/80/23/67/1045802367.db2.gz FAIMZEKZLLIUDP-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OCc2ccccc2)CC1 ZINC000792157679 1045867383 /nfs/dbraw/zinc/86/73/83/1045867383.db2.gz ZOKKCQVLKUNJHP-UHFFFAOYSA-N -1 3 349.833 4.366 20 10 EICDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1NC(=O)N(C)C ZINC000793409798 1046225864 /nfs/dbraw/zinc/22/58/64/1046225864.db2.gz GLHAYYLAAGUSMK-UHFFFAOYSA-N -1 3 333.819 4.060 20 10 EICDHM CC[C@@H](Nc1ccc(OCCOC)c(F)c1)c1ccc(F)cc1[O-] ZINC000796870165 1046406365 /nfs/dbraw/zinc/40/63/65/1046406365.db2.gz CHPSRFLPFGCQEA-MRXNPFEDSA-N -1 3 337.366 4.259 20 10 EICDHM CC(C)[C@H](N[C@H](C)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000786973244 1046886655 /nfs/dbraw/zinc/88/66/55/1046886655.db2.gz HKAQDUXTQMFEIF-PELKAZGASA-N -1 3 340.183 4.392 20 10 EICDHM COC[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000787302912 1046987459 /nfs/dbraw/zinc/98/74/59/1046987459.db2.gz MVYVINXXNUMTJB-HNNXBMFYSA-N -1 3 344.213 4.315 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000805750836 1047004099 /nfs/dbraw/zinc/00/40/99/1047004099.db2.gz VSXHWDDAQOWNSC-KZULUSFZSA-N -1 3 344.842 4.226 20 10 EICDHM C[C@H](NCc1nn(C)c2ccccc12)c1cccc(C(F)(F)F)c1[O-] ZINC000788752444 1047286439 /nfs/dbraw/zinc/28/64/39/1047286439.db2.gz WADSEOYEEDLTGF-NSHDSACASA-N -1 3 349.356 4.149 20 10 EICDHM COc1ccc([C@H]2CCCN2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520074 1047495698 /nfs/dbraw/zinc/49/56/98/1047495698.db2.gz BGBMLFADBZXKPZ-MRXNPFEDSA-N -1 3 349.377 4.025 20 10 EICDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cnn(CC2CCC2)c1 ZINC000898178669 1047575241 /nfs/dbraw/zinc/57/52/41/1047575241.db2.gz DGOHYRBBJJTNOX-LLVKDONJSA-N -1 3 337.826 4.032 20 10 EICDHM COc1c([O-])c(CNc2ccccc2C(C)(F)F)ccc1[N+](=O)[O-] ZINC000824722870 1047911694 /nfs/dbraw/zinc/91/16/94/1047911694.db2.gz YGAOWNSMQPTIFP-UHFFFAOYSA-N -1 3 338.310 4.033 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045426 1048024504 /nfs/dbraw/zinc/02/45/04/1048024504.db2.gz DDJVCWPQDVKNHS-LBPRGKRZSA-N -1 3 345.723 4.379 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(OC(F)F)c(F)c1 ZINC000815152865 1048350932 /nfs/dbraw/zinc/35/09/32/1048350932.db2.gz YDCBGDVFZKRPJZ-UHFFFAOYSA-N -1 3 349.711 4.215 20 10 EICDHM CCc1nc([C@@H]2CCCCN2Cc2ccc3ccccc3c2[O-])no1 ZINC000816494515 1048815737 /nfs/dbraw/zinc/81/57/37/1048815737.db2.gz OPCHKOAPOUUVOC-KRWDZBQOSA-N -1 3 337.423 4.218 20 10 EICDHM COc1ccc(F)cc1[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816536298 1048826232 /nfs/dbraw/zinc/82/62/32/1048826232.db2.gz QXLWSANGVROYKV-VIFPVBQESA-N -1 3 327.758 4.183 20 10 EICDHM COC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC000816594005 1048833072 /nfs/dbraw/zinc/83/30/72/1048833072.db2.gz MAXHVBWIDGNZQC-OAHLLOKOSA-N -1 3 344.213 4.315 20 10 EICDHM COCc1ccnc(N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000846213276 1048841042 /nfs/dbraw/zinc/84/10/42/1048841042.db2.gz QYKWNGSNNNOFGS-SECBINFHSA-N -1 3 327.211 4.414 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000805750837 1049525895 /nfs/dbraw/zinc/52/58/95/1049525895.db2.gz VSXHWDDAQOWNSC-SGTLLEGYSA-N -1 3 344.842 4.226 20 10 EICDHM CC[C@@H](C)Oc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774928501 1050162155 /nfs/dbraw/zinc/16/21/55/1050162155.db2.gz SSYOODWLTADDTF-GFCCVEGCSA-N -1 3 346.383 4.098 20 10 EICDHM [O-]c1c(CNc2cc3[nH]cnc3c(F)c2)cc(Cl)c2cccnc12 ZINC001168526195 1050290703 /nfs/dbraw/zinc/29/07/03/1050290703.db2.gz SNIUOZUKGQDHSP-UHFFFAOYSA-N -1 3 342.761 4.221 20 10 EICDHM CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1CC ZINC000775048346 1050410752 /nfs/dbraw/zinc/41/07/52/1050410752.db2.gz RSGSUGZZHGGRHT-UHFFFAOYSA-N -1 3 330.384 4.046 20 10 EICDHM CC(C)c1ccc(/C=C/CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412842 1050466712 /nfs/dbraw/zinc/46/67/12/1050466712.db2.gz HYIHJUPAXSDZDZ-HWKANZROSA-N -1 3 327.399 4.374 20 10 EICDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237077761 1050640643 /nfs/dbraw/zinc/64/06/43/1050640643.db2.gz KGYXKTAMIMVZEP-VXNVDRBHSA-N -1 3 346.151 4.279 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077233 1050874390 /nfs/dbraw/zinc/87/43/90/1050874390.db2.gz OCNPRRCWLXYCCY-PXAZEXFGSA-N -1 3 337.872 4.378 20 10 EICDHM O=C(c1ccncc1)c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001175102467 1051350761 /nfs/dbraw/zinc/35/07/61/1051350761.db2.gz LXFRZXFTHTWAPM-UHFFFAOYSA-N -1 3 326.302 4.040 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc3cc[nH]c3c2)c1[O-] ZINC001175612419 1051699693 /nfs/dbraw/zinc/69/96/93/1051699693.db2.gz RVNXTGIPHKBKMM-UHFFFAOYSA-N -1 3 342.826 4.362 20 10 EICDHM CC[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775523753 1051702238 /nfs/dbraw/zinc/70/22/38/1051702238.db2.gz MBIXKPRKMCEUJR-CABCVRRESA-N -1 3 341.785 4.098 20 10 EICDHM CCc1cc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528300 1052616014 /nfs/dbraw/zinc/61/60/14/1052616014.db2.gz SKDCHHGWBVPCBN-UHFFFAOYSA-N -1 3 349.221 4.212 20 10 EICDHM CN(Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643332 1053305766 /nfs/dbraw/zinc/30/57/66/1053305766.db2.gz UTSIALPBDPDMJX-UHFFFAOYSA-N -1 3 345.748 4.418 20 10 EICDHM COc1ccc([C@H]2CCCN2Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000775646960 1053344265 /nfs/dbraw/zinc/34/42/65/1053344265.db2.gz NFODRPKMMVNXLU-QGZVFWFLSA-N -1 3 347.842 4.400 20 10 EICDHM CCCN(Cc1cccc(Cl)c1[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000775668282 1053457078 /nfs/dbraw/zinc/45/70/78/1053457078.db2.gz VXHNPLJHMOSKMD-CQSZACIVSA-N -1 3 346.858 4.285 20 10 EICDHM Cc1nc(C)c([C@H](C)N(C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775685489 1053564694 /nfs/dbraw/zinc/56/46/94/1053564694.db2.gz OMJMFUHEEUQDTH-VIFPVBQESA-N -1 3 328.840 4.451 20 10 EICDHM CCc1nc([C@@H](C)NCc2c([O-])cccc2Br)cs1 ZINC000858134178 1054420297 /nfs/dbraw/zinc/42/02/97/1054420297.db2.gz LJGCEOSVSPGSNE-SECBINFHSA-N -1 3 341.274 4.024 20 10 EICDHM [O-]c1cccc(Br)c1CNC1(c2ccccc2F)CC1 ZINC000858140584 1054423656 /nfs/dbraw/zinc/42/36/56/1054423656.db2.gz DTHXEEGSHLYSNU-UHFFFAOYSA-N -1 3 336.204 4.073 20 10 EICDHM Cc1ccc2c(c1)N[C@H](c1cc(Cl)c3ccccc3c1[O-])NC2=O ZINC000877863235 1055142979 /nfs/dbraw/zinc/14/29/79/1055142979.db2.gz CRICRXJKKXUVLM-SFHVURJKSA-N -1 3 338.794 4.361 20 10 EICDHM COC[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000279407878 1026413737 /nfs/dbraw/zinc/41/37/37/1026413737.db2.gz DNIRSJHDHQXLJC-BONVTDFDSA-N -1 3 341.785 4.362 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2cccc(O)c2)c1[O-] ZINC000177280701 1031536991 /nfs/dbraw/zinc/53/69/91/1031536991.db2.gz KHZGIUHJMYNABM-LLVKDONJSA-N -1 3 333.815 4.147 20 10 EICDHM CC(C)(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)C(F)(F)F ZINC000760666406 1036019999 /nfs/dbraw/zinc/01/99/99/1036019999.db2.gz KVHQQLOBMYMUDA-UHFFFAOYSA-N -1 3 339.313 4.190 20 10 EICDHM COc1cc(OC)c(N[C@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000170788784 1036842725 /nfs/dbraw/zinc/84/27/25/1036842725.db2.gz BAVCRSJMLQAGCQ-SECBINFHSA-N -1 3 325.767 4.375 20 10 EICDHM C[C@H](NCc1cc(F)ccc1Br)c1ccc(F)cc1[O-] ZINC000062747862 1038239468 /nfs/dbraw/zinc/23/94/68/1038239468.db2.gz ZOPYAFAJXXDHGK-VIFPVBQESA-N -1 3 342.183 4.284 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CC=C(c2cccc3ccccc32)CC1 ZINC000790597519 1045541187 /nfs/dbraw/zinc/54/11/87/1045541187.db2.gz ADXVANYALFGUFP-UHFFFAOYSA-N -1 3 345.398 4.181 20 10 EICDHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000790616764 1045548961 /nfs/dbraw/zinc/54/89/61/1045548961.db2.gz XNPBRXFKBCIKMJ-UHFFFAOYSA-N -1 3 326.396 4.095 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1N1CCCCC1 ZINC000790991288 1045645423 /nfs/dbraw/zinc/64/54/23/1045645423.db2.gz SVRSNDIQTNAQLI-UHFFFAOYSA-N -1 3 348.849 4.465 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC[C@H](c3c(F)cccc3F)C2)c1[O-] ZINC000769229059 1045896968 /nfs/dbraw/zinc/89/69/68/1045896968.db2.gz UOQDDZZTQQGVQZ-LBPRGKRZSA-N -1 3 349.352 4.002 20 10 EICDHM [O-]c1c(Br)cccc1CN1CCCc2sccc2C1 ZINC000769381246 1045942160 /nfs/dbraw/zinc/94/21/60/1045942160.db2.gz NJVQWPYHOZTMES-UHFFFAOYSA-N -1 3 338.270 4.165 20 10 EICDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000769476212 1045992509 /nfs/dbraw/zinc/99/25/09/1045992509.db2.gz XHAWURJDMNEAKV-KPZWWZAWSA-N -1 3 335.806 4.147 20 10 EICDHM Cn1cccc1[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000769536773 1046014051 /nfs/dbraw/zinc/01/40/51/1046014051.db2.gz FKNAITWCSBOVQP-MRXNPFEDSA-N -1 3 349.272 4.220 20 10 EICDHM CC(C)(C)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522302 1046433936 /nfs/dbraw/zinc/43/39/36/1046433936.db2.gz FLAZBLKMDISXJF-UHFFFAOYSA-N -1 3 342.830 4.293 20 10 EICDHM CC[C@@H](NCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000806135681 1047132743 /nfs/dbraw/zinc/13/27/43/1047132743.db2.gz VKGXANRXXSFPQW-GOSISDBHSA-N -1 3 341.842 4.472 20 10 EICDHM C[C@H](Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1[O-] ZINC000788691831 1047262309 /nfs/dbraw/zinc/26/23/09/1047262309.db2.gz PJFFNWMMTNNCDG-VIFPVBQESA-N -1 3 325.286 4.313 20 10 EICDHM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000806662022 1047348307 /nfs/dbraw/zinc/34/83/07/1047348307.db2.gz HJVXGOQYVWSURV-KRTXAFLBSA-N -1 3 338.167 4.146 20 10 EICDHM COc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])c1F ZINC000809776027 1048508434 /nfs/dbraw/zinc/50/84/34/1048508434.db2.gz QHZFHFUZQKIHAW-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM CC(C)n1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815583045 1048522900 /nfs/dbraw/zinc/52/29/00/1048522900.db2.gz VRKWAEBAQQRVQJ-NSHDSACASA-N -1 3 327.350 4.039 20 10 EICDHM CCc1nc(C)c(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815629039 1048552510 /nfs/dbraw/zinc/55/25/10/1048552510.db2.gz QYZUGIBVFVWJEQ-VIFPVBQESA-N -1 3 328.334 4.121 20 10 EICDHM COc1cccc(F)c1[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816551071 1048827959 /nfs/dbraw/zinc/82/79/59/1048827959.db2.gz NXNYIYCOCPNSGC-VIFPVBQESA-N -1 3 327.758 4.183 20 10 EICDHM COC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1cccc(Cl)c1 ZINC000816613653 1048843396 /nfs/dbraw/zinc/84/33/96/1048843396.db2.gz AYUBGLPMHNNYNM-OAHLLOKOSA-N -1 3 344.213 4.315 20 10 EICDHM COC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1cccc(Cl)c1 ZINC000816613652 1048843816 /nfs/dbraw/zinc/84/38/16/1048843816.db2.gz AYUBGLPMHNNYNM-HNNXBMFYSA-N -1 3 344.213 4.315 20 10 EICDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nccn1-c1ccccc1 ZINC000816611923 1048844318 /nfs/dbraw/zinc/84/43/18/1048844318.db2.gz APOUPQRVAJZIKB-LBPRGKRZSA-N -1 3 345.805 4.221 20 10 EICDHM COCc1ccnc(N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000846212359 1048848566 /nfs/dbraw/zinc/84/85/66/1048848566.db2.gz LQQMTEQIZOHBHR-JTQLQIEISA-N -1 3 326.318 4.126 20 10 EICDHM Cc1c(NCc2c([O-])cccc2Cl)cnn1-c1cccc(C)c1 ZINC001179007137 1050610556 /nfs/dbraw/zinc/61/05/56/1050610556.db2.gz PVHVEWJEYWNBGH-UHFFFAOYSA-N -1 3 327.815 4.460 20 10 EICDHM [O-]c1cccc(Cl)c1CNc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC001179365104 1050681355 /nfs/dbraw/zinc/68/13/55/1050681355.db2.gz FBWRKNIYALEFMV-CQSZACIVSA-N -1 3 331.721 4.253 20 10 EICDHM CC(C)Cn1ncc(NCc2cc(F)c(F)cc2[O-])c1C(F)F ZINC001180348997 1050965165 /nfs/dbraw/zinc/96/51/65/1050965165.db2.gz HLHNLTHSKWUGNO-UHFFFAOYSA-N -1 3 331.313 4.073 20 10 EICDHM Cc1cc([O-])c(CN2CCO[C@H](CCc3ccccc3)C2)cc1Cl ZINC001180665308 1051059546 /nfs/dbraw/zinc/05/95/46/1051059546.db2.gz MRSHKULQFSLNBH-GOSISDBHSA-N -1 3 345.870 4.188 20 10 EICDHM COc1cc(NCc2cc(F)c(F)cc2[O-])ccc1C(F)(F)F ZINC001181419342 1051219581 /nfs/dbraw/zinc/21/95/81/1051219581.db2.gz ZWEXFKCHMLXZHI-UHFFFAOYSA-N -1 3 333.256 4.310 20 10 EICDHM Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)c3ccccc3c1[O-])N2 ZINC000774547607 1051720414 /nfs/dbraw/zinc/72/04/14/1051720414.db2.gz OVWVMEARTAZTPI-GOSISDBHSA-N -1 3 338.794 4.361 20 10 EICDHM Cc1cc([O-])c(CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1Cl ZINC001183181780 1051802824 /nfs/dbraw/zinc/80/28/24/1051802824.db2.gz YEDQOXQIHWYFTM-SFHVURJKSA-N -1 3 339.863 4.050 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC001183779532 1051894148 /nfs/dbraw/zinc/89/41/48/1051894148.db2.gz OQXLVOTVHNORBM-JTQLQIEISA-N -1 3 341.760 4.452 20 10 EICDHM COc1c([O-])c(CNc2ccc(OC(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000774915058 1052284672 /nfs/dbraw/zinc/28/46/72/1052284672.db2.gz PWHKCVXOMVNCBV-UHFFFAOYSA-N -1 3 346.383 4.017 20 10 EICDHM C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000864024296 1053159149 /nfs/dbraw/zinc/15/91/49/1053159149.db2.gz YNMXYAUNFHWQON-PSLIRLAXSA-N -1 3 329.293 4.300 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])c(OC)c(C)c1OC ZINC000794839604 1053497525 /nfs/dbraw/zinc/49/75/25/1053497525.db2.gz GEECOHSCHUVXRY-LLVKDONJSA-N -1 3 335.375 4.039 20 10 EICDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1Br ZINC000083552540 1053682542 /nfs/dbraw/zinc/68/25/42/1053682542.db2.gz BRZBHFITBWJYTH-UHFFFAOYSA-N -1 3 342.620 4.429 20 10 EICDHM Cc1ccc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000866477653 1053742496 /nfs/dbraw/zinc/74/24/96/1053742496.db2.gz CYEGFRFWECOVLU-SECBINFHSA-N -1 3 328.181 4.046 20 10 EICDHM C[C@H](NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000872116423 1054395725 /nfs/dbraw/zinc/39/57/25/1054395725.db2.gz LQJKOSJUPLXTBE-QMMMGPOBSA-N -1 3 348.727 4.449 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014796 1054439440 /nfs/dbraw/zinc/43/94/40/1054439440.db2.gz QGEAOWQBHBYSDJ-LJQANCHMSA-N -1 3 347.817 4.206 20 10 EICDHM CC[C@H](C)Oc1cc(C)ccc1CNCc1cc(F)cc(F)c1[O-] ZINC001201424787 1054796155 /nfs/dbraw/zinc/79/61/55/1054796155.db2.gz CTUIXPDBBPXRSL-ZDUSSCGKSA-N -1 3 335.394 4.446 20 10 EICDHM CC1(C)CN(Cc2c([O-])cccc2Br)[C@@H]1c1ccncc1 ZINC000862375987 1055057897 /nfs/dbraw/zinc/05/78/97/1055057897.db2.gz FBAMTVGFIORWQD-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@H]1c1ccncc1 ZINC000825998896 1055122047 /nfs/dbraw/zinc/12/20/47/1055122047.db2.gz XWAJPAVKKXRRCZ-INIZCTEOSA-N -1 3 347.256 4.133 20 10 EICDHM Cc1ccc2c(c1)N[C@@H](c1cc(Cl)c3ccccc3c1[O-])NC2=O ZINC000877863233 1055142589 /nfs/dbraw/zinc/14/25/89/1055142589.db2.gz CRICRXJKKXUVLM-GOSISDBHSA-N -1 3 338.794 4.361 20 10 EICDHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cccc(O)c1[O-] ZINC000776344307 1055211910 /nfs/dbraw/zinc/21/19/10/1055211910.db2.gz PZTIORMTYNPRGF-UHFFFAOYSA-N -1 3 348.402 4.005 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C)c1[O-] ZINC001167544833 1026071096 /nfs/dbraw/zinc/07/10/96/1026071096.db2.gz WVFDABJWPAXKAW-GFCCVEGCSA-N -1 3 329.827 4.195 20 10 EICDHM COC[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000279407880 1026417348 /nfs/dbraw/zinc/41/73/48/1026417348.db2.gz DNIRSJHDHQXLJC-MEBBXXQBSA-N -1 3 341.785 4.362 20 10 EICDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000279479452 1026446651 /nfs/dbraw/zinc/44/66/51/1026446651.db2.gz KQYYTILPTNETHQ-YUMQZZPRSA-N -1 3 334.338 4.418 20 10 EICDHM C[C@H]1CC[C@H](C)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132539 1027403850 /nfs/dbraw/zinc/40/38/50/1027403850.db2.gz DLRUIADXCSNOPN-UWVGGRQHSA-N -1 3 332.669 4.429 20 10 EICDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000894993556 1027688180 /nfs/dbraw/zinc/68/81/80/1027688180.db2.gz JYLJLTUUYMLEPS-LJQANCHMSA-N -1 3 345.389 4.024 20 10 EICDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112719 1030247967 /nfs/dbraw/zinc/24/79/67/1030247967.db2.gz DDEOGOBMXACRMW-QWHCGFSZSA-N -1 3 342.830 4.038 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1[O-] ZINC000780386168 1031629274 /nfs/dbraw/zinc/62/92/74/1031629274.db2.gz VHEFLGHLOKGCAI-CABZTGNLSA-N -1 3 349.780 4.411 20 10 EICDHM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1ccns1 ZINC000708073953 1044834182 /nfs/dbraw/zinc/83/41/82/1044834182.db2.gz WWZCEJLSJQBYCD-ZETCQYMHSA-N -1 3 347.665 4.115 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000790954742 1045634149 /nfs/dbraw/zinc/63/41/49/1045634149.db2.gz XIXMLVRMORDXOE-AWEZNQCLSA-N -1 3 339.769 4.327 20 10 EICDHM CCc1cccc2c1OCC[C@@H]2NCc1c([O-])ccc(Cl)c1F ZINC000790959470 1045637293 /nfs/dbraw/zinc/63/72/93/1045637293.db2.gz GBGHNADDHWCNJJ-HNNXBMFYSA-N -1 3 335.806 4.361 20 10 EICDHM C[C@@H](NCc1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756344373 1045837703 /nfs/dbraw/zinc/83/77/03/1045837703.db2.gz TZNDITBBABEMGN-MRVPVSSYSA-N -1 3 330.609 4.252 20 10 EICDHM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000768919913 1045859908 /nfs/dbraw/zinc/85/99/08/1045859908.db2.gz ZVRZSBZPGDHXGF-KRWDZBQOSA-N -1 3 341.842 4.269 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Oc2ccccc2)CC1 ZINC000792162064 1045864098 /nfs/dbraw/zinc/86/40/98/1045864098.db2.gz AGQSUMAOUGMDNV-UHFFFAOYSA-N -1 3 335.806 4.228 20 10 EICDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1NC(=O)N(C)C ZINC000793246986 1046191333 /nfs/dbraw/zinc/19/13/33/1046191333.db2.gz VZGWGTFTFHCDIG-UHFFFAOYSA-N -1 3 333.819 4.060 20 10 EICDHM CC[C@H](NCc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1[O-] ZINC000806146105 1047171508 /nfs/dbraw/zinc/17/15/08/1047171508.db2.gz KBASLIGCWRAJMN-AWEZNQCLSA-N -1 3 347.821 4.312 20 10 EICDHM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000806662018 1047347082 /nfs/dbraw/zinc/34/70/82/1047347082.db2.gz HJVXGOQYVWSURV-JMCQJSRRSA-N -1 3 338.167 4.146 20 10 EICDHM Cn1ccc2ncc(NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001168523578 1047388429 /nfs/dbraw/zinc/38/84/29/1047388429.db2.gz PRQVPSJCRSLOQO-UHFFFAOYSA-N -1 3 338.798 4.093 20 10 EICDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000790415768 1047583725 /nfs/dbraw/zinc/58/37/25/1047583725.db2.gz MHOSFUKZPBQKST-UHFFFAOYSA-N -1 3 333.453 4.053 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016561 1048783948 /nfs/dbraw/zinc/78/39/48/1048783948.db2.gz YIVUZYBKOMLCQZ-UHFFFAOYSA-N -1 3 341.707 4.051 20 10 EICDHM C[C@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1F ZINC000846017749 1048790576 /nfs/dbraw/zinc/79/05/76/1048790576.db2.gz PPNFSTIOWARYTR-VFZGTOFNSA-N -1 3 344.213 4.050 20 10 EICDHM COc1ccc(Cl)cc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816541970 1048826876 /nfs/dbraw/zinc/82/68/76/1048826876.db2.gz ZHFVEIYQAUVHKL-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565975 1048836847 /nfs/dbraw/zinc/83/68/47/1048836847.db2.gz HVMKAUVKHWIJJD-WPRPVWTQSA-N -1 3 325.733 4.348 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])cc(Cl)c1OC ZINC000846196900 1048840145 /nfs/dbraw/zinc/84/01/45/1048840145.db2.gz VLKIUNQHGUAOPF-VIFPVBQESA-N -1 3 325.767 4.375 20 10 EICDHM Cc1ccc(-c2nnc(NCc3c([O-])cccc3Cl)o2)c(C)c1 ZINC000811839297 1049290648 /nfs/dbraw/zinc/29/06/48/1049290648.db2.gz XDWYVFAZYUQWMY-UHFFFAOYSA-N -1 3 329.787 4.325 20 10 EICDHM COc1c([O-])c(CNc2ccccc2SC(C)C)ccc1[N+](=O)[O-] ZINC000774937563 1050173188 /nfs/dbraw/zinc/17/31/88/1050173188.db2.gz IMFRVCZSLSXKPE-UHFFFAOYSA-N -1 3 348.424 4.422 20 10 EICDHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1c([O-])cccc1Cl ZINC000130921895 1050186962 /nfs/dbraw/zinc/18/69/62/1050186962.db2.gz UDAFBQHPXKXFFY-UHFFFAOYSA-N -1 3 346.858 4.123 20 10 EICDHM Cc1c2occ(CC(=O)NCc3c([O-])cccc3F)c2ccc1Cl ZINC001178413576 1050466788 /nfs/dbraw/zinc/46/67/88/1050466788.db2.gz URKGFOZXERUPPX-UHFFFAOYSA-N -1 3 347.773 4.098 20 10 EICDHM C[C@H]1CC[C@](CO)(NCc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC001179792916 1050779616 /nfs/dbraw/zinc/77/96/16/1050779616.db2.gz CYNGILNWZJLDKD-HXPMCKFVSA-N -1 3 349.833 4.059 20 10 EICDHM CC(C)CNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775181183 1050803050 /nfs/dbraw/zinc/80/30/50/1050803050.db2.gz QPEHAQYJPZEMNQ-UHFFFAOYSA-N -1 3 332.831 4.044 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(Cl)c1 ZINC001180077234 1050874302 /nfs/dbraw/zinc/87/43/02/1050874302.db2.gz OCNPRRCWLXYCCY-SJCJKPOMSA-N -1 3 337.872 4.378 20 10 EICDHM CN(CCOc1cccc(Cl)c1)Cc1c([O-])ccc(Cl)c1F ZINC001180437948 1050990101 /nfs/dbraw/zinc/99/01/01/1050990101.db2.gz SBYRYWZETOSSHA-UHFFFAOYSA-N -1 3 344.213 4.349 20 10 EICDHM COc1ccc([C@H]2CCCN2Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001180585851 1051044052 /nfs/dbraw/zinc/04/40/52/1051044052.db2.gz OSMCJVYVVARVHV-QGZVFWFLSA-N -1 3 349.377 4.025 20 10 EICDHM C[C@H](NCc1csc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774206578 1051502578 /nfs/dbraw/zinc/50/25/78/1051502578.db2.gz DPEHYRWHACAKSQ-QMMMGPOBSA-N -1 3 346.283 4.072 20 10 EICDHM C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774300287 1051544306 /nfs/dbraw/zinc/54/43/06/1051544306.db2.gz CCRNVRRWEGZHLN-SNVBAGLBSA-N -1 3 349.221 4.453 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2C(C)(C)C)c1[O-] ZINC001175700459 1051709594 /nfs/dbraw/zinc/70/95/94/1051709594.db2.gz YSFAFNWETIADHU-OAHLLOKOSA-N -1 3 341.904 4.212 20 10 EICDHM CC(C)(C)CCN(CCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001175909102 1051839809 /nfs/dbraw/zinc/83/98/09/1051839809.db2.gz ANCDSYCVEJALJZ-UHFFFAOYSA-N -1 3 341.451 4.219 20 10 EICDHM CN(C)c1cc(NCc2cccc(F)c2[O-])cc(C(F)(F)F)c1 ZINC001183949169 1051930471 /nfs/dbraw/zinc/93/04/71/1051930471.db2.gz IVRJSTPPGYEWIW-UHFFFAOYSA-N -1 3 328.309 4.228 20 10 EICDHM Cc1cc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ccc2[nH]1 ZINC001168527433 1052533783 /nfs/dbraw/zinc/53/37/83/1052533783.db2.gz HZMVEGVMVXFUJD-UHFFFAOYSA-N -1 3 338.798 4.391 20 10 EICDHM C[C@@H](Nc1cccc(-n2nccn2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000864023178 1053159465 /nfs/dbraw/zinc/15/94/65/1053159465.db2.gz OXILJPLQYWOILL-LLVKDONJSA-N -1 3 348.328 4.165 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000775648424 1053340512 /nfs/dbraw/zinc/34/05/12/1053340512.db2.gz UFWWBDMFVKZABB-SFHVURJKSA-N -1 3 349.833 4.130 20 10 EICDHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000776634270 1053619503 /nfs/dbraw/zinc/61/95/03/1053619503.db2.gz IXMRPMGMBAZIRG-UHFFFAOYSA-N -1 3 340.206 4.067 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1COc2ccc(Cl)cc21 ZINC001201372334 1054765634 /nfs/dbraw/zinc/76/56/34/1054765634.db2.gz GYIUMIVMAHHDEE-CYBMUJFWSA-N -1 3 328.170 4.061 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CNC1(c2nccs2)CCCC1 ZINC000776174463 1054802295 /nfs/dbraw/zinc/80/22/95/1054802295.db2.gz AQBMDZLFARUREW-UHFFFAOYSA-N -1 3 326.824 4.200 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1ccccc1F ZINC001202004368 1054976017 /nfs/dbraw/zinc/97/60/17/1054976017.db2.gz TZUBFHVXXAADOW-UHFFFAOYSA-N -1 3 345.761 4.055 20 10 EICDHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754024 1032439242 /nfs/dbraw/zinc/43/92/42/1032439242.db2.gz OZNKPGWKWIATGO-GFCCVEGCSA-N -1 3 346.814 4.484 20 10 EICDHM C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000376788913 1023312233 /nfs/dbraw/zinc/31/22/33/1023312233.db2.gz UFNPFQZDWCCIPS-KGLIPLIRSA-N -1 3 325.387 4.129 20 10 EICDHM CC[C@@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1[O-] ZINC000376831553 1023321002 /nfs/dbraw/zinc/32/10/02/1023321002.db2.gz AQJLKMZZMXTBCQ-CABCVRRESA-N -1 3 348.878 4.336 20 10 EICDHM C[C@@H](NCc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000756731031 1024186218 /nfs/dbraw/zinc/18/62/18/1024186218.db2.gz CLXVZSQRKOHZPO-MRVPVSSYSA-N -1 3 347.283 4.262 20 10 EICDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Cl)s2)c1[O-] ZINC000050144058 1026906648 /nfs/dbraw/zinc/90/66/48/1026906648.db2.gz WLHUIFNAENJSPR-UHFFFAOYSA-N -1 3 327.808 4.081 20 10 EICDHM C[C@@H](NCc1nnc(C2CC2)s1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840892394 1027578912 /nfs/dbraw/zinc/57/89/12/1027578912.db2.gz ZGVZFAGHDDDFCJ-SSDOTTSWSA-N -1 3 344.267 4.279 20 10 EICDHM C[C@H](N[C@H](c1nccs1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185235807 1030133912 /nfs/dbraw/zinc/13/39/12/1030133912.db2.gz CFWQIUQJOBVHJH-SJCJKPOMSA-N -1 3 328.412 4.428 20 10 EICDHM CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796683155 1030738096 /nfs/dbraw/zinc/73/80/96/1030738096.db2.gz NEBUTOSJKXJSOK-IEBWSBKVSA-N -1 3 339.414 4.095 20 10 EICDHM CC1(C)C[C@@H](O)c2cccc(NCc3c([O-])cccc3Cl)c2O1 ZINC000922919881 1044861202 /nfs/dbraw/zinc/86/12/02/1044861202.db2.gz OCOYSTUTSIWHDM-MRXNPFEDSA-N -1 3 333.815 4.252 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000740705806 1045211074 /nfs/dbraw/zinc/21/10/74/1045211074.db2.gz MOPXNPHKQHGROI-UHFFFAOYSA-N -1 3 347.480 4.416 20 10 EICDHM CSc1ccc(F)cc1CNCc1c([O-])ccc(Cl)c1F ZINC000790971879 1045660713 /nfs/dbraw/zinc/66/07/13/1045660713.db2.gz XNOLDZLDYACIOV-UHFFFAOYSA-N -1 3 329.799 4.336 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000791582727 1045764125 /nfs/dbraw/zinc/76/41/25/1045764125.db2.gz CGKCMKHKBQYFEG-SDBXPKJASA-N -1 3 335.753 4.021 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768376599 1045803774 /nfs/dbraw/zinc/80/37/74/1045803774.db2.gz UHUAWRZWVHQPAQ-KRWDZBQOSA-N -1 3 338.234 4.273 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCCO[C@H](c2ccccc2)C1 ZINC000792167772 1045872610 /nfs/dbraw/zinc/87/26/10/1045872610.db2.gz QWMDTQLUZRUMRV-KRWDZBQOSA-N -1 3 335.806 4.148 20 10 EICDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792174661 1045873219 /nfs/dbraw/zinc/87/32/19/1045873219.db2.gz YFFUGKYQDMVCGD-BDAKNGLRSA-N -1 3 325.733 4.348 20 10 EICDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000769107596 1045880853 /nfs/dbraw/zinc/88/08/53/1045880853.db2.gz YOUGIVAFHOHFBW-MRXNPFEDSA-N -1 3 348.240 4.197 20 10 EICDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000785607036 1046718914 /nfs/dbraw/zinc/71/89/14/1046718914.db2.gz ODTFRVHYONSWEX-ZETCQYMHSA-N -1 3 336.766 4.372 20 10 EICDHM CC[C@@H](NCc1cccc(F)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148639 1047173854 /nfs/dbraw/zinc/17/38/54/1047173854.db2.gz JGZCEXLLYDMYJD-CYBMUJFWSA-N -1 3 329.202 4.474 20 10 EICDHM COC[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731785 1048095234 /nfs/dbraw/zinc/09/52/34/1048095234.db2.gz ALGBVUMYAFBDLY-HWPZZCPQSA-N -1 3 341.785 4.362 20 10 EICDHM COc1cccc(F)c1[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816551070 1048828578 /nfs/dbraw/zinc/82/85/78/1048828578.db2.gz NXNYIYCOCPNSGC-SECBINFHSA-N -1 3 327.758 4.183 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1nc2ccccc2n1C1CC1 ZINC000816569441 1048837642 /nfs/dbraw/zinc/83/76/42/1048837642.db2.gz LULNMUFXBVXTFC-UHFFFAOYSA-N -1 3 345.805 4.159 20 10 EICDHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])cc1C ZINC001148218636 1049279304 /nfs/dbraw/zinc/27/93/04/1049279304.db2.gz JBLZPNUTJVSTRO-KRWDZBQOSA-N -1 3 325.408 4.082 20 10 EICDHM Cn1c(=O)cc(NCc2cc3ccccc3cc2[O-])c2ccccc21 ZINC001171406089 1049628403 /nfs/dbraw/zinc/62/84/03/1049628403.db2.gz GMJJDIVIBFOGDZ-UHFFFAOYSA-N -1 3 330.387 4.009 20 10 EICDHM C[C@@H](NCc1ccc(C2CC2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813874009 1049829843 /nfs/dbraw/zinc/82/98/43/1049829843.db2.gz CHBHEBDNVIXKHA-LLVKDONJSA-N -1 3 330.359 4.168 20 10 EICDHM Cc1ccoc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000813882513 1049830793 /nfs/dbraw/zinc/83/07/93/1049830793.db2.gz AHKSZHJACKVEPM-SECBINFHSA-N -1 3 328.181 4.046 20 10 EICDHM O=C(NCc1c([O-])cccc1F)C1(c2cccc(F)c2)CCCCC1 ZINC001178412672 1050466655 /nfs/dbraw/zinc/46/66/55/1050466655.db2.gz DJNDBBILYMXXOD-UHFFFAOYSA-N -1 3 345.389 4.189 20 10 EICDHM O=C(NCc1c([O-])cccc1F)C1(c2cccc(Cl)c2)CCCC1 ZINC001178410300 1050466825 /nfs/dbraw/zinc/46/68/25/1050466825.db2.gz PYFPFAFPCMKQAG-UHFFFAOYSA-N -1 3 347.817 4.313 20 10 EICDHM CCc1nc(C)c([C@H](C)N(C)Cc2ccc(F)c(F)c2[O-])s1 ZINC001179905741 1050829585 /nfs/dbraw/zinc/82/95/85/1050829585.db2.gz NVPVQXNDDWBXNB-JTQLQIEISA-N -1 3 326.412 4.191 20 10 EICDHM CN(CCCOc1ccc(F)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001179984484 1050842711 /nfs/dbraw/zinc/84/27/11/1050842711.db2.gz RDHDYCVULZHJEG-UHFFFAOYSA-N -1 3 341.785 4.225 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077732 1050876871 /nfs/dbraw/zinc/87/68/71/1050876871.db2.gz TXIHQIIAFAQBGN-SJKOYZFVSA-N -1 3 337.872 4.378 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1Cl ZINC001180077730 1050877353 /nfs/dbraw/zinc/87/73/53/1050877353.db2.gz TXIHQIIAFAQBGN-PXAZEXFGSA-N -1 3 337.872 4.378 20 10 EICDHM Cc1cccc(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001189059643 1050896209 /nfs/dbraw/zinc/89/62/09/1050896209.db2.gz BSAPOAJKMSNMKV-UHFFFAOYSA-N -1 3 340.810 4.141 20 10 EICDHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001190447198 1051190098 /nfs/dbraw/zinc/19/00/98/1051190098.db2.gz KNZKOEPEXOUEBJ-UHFFFAOYSA-N -1 3 347.480 4.497 20 10 EICDHM CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000775542796 1051794761 /nfs/dbraw/zinc/79/47/61/1051794761.db2.gz SWQVTMWUKDSULE-HNNXBMFYSA-N -1 3 342.830 4.072 20 10 EICDHM Cc1cnc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)s1 ZINC000763675012 1051906592 /nfs/dbraw/zinc/90/65/92/1051906592.db2.gz MCJYHTALLGKJDU-UHFFFAOYSA-N -1 3 340.851 4.329 20 10 EICDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194634622 1052181455 /nfs/dbraw/zinc/18/14/55/1052181455.db2.gz XRPKWTXSNRBACU-UHFFFAOYSA-N -1 3 333.453 4.242 20 10 EICDHM CC(C)[C@H](O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395443 1053163824 /nfs/dbraw/zinc/16/38/24/1053163824.db2.gz SHEFINXWIGCDKL-ROUUACIJSA-N -1 3 337.822 4.033 20 10 EICDHM C[C@@H](NCc1cc(F)ccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000850569936 1053322533 /nfs/dbraw/zinc/32/25/33/1053322533.db2.gz NVBZNBHYUNIOLA-MRVPVSSYSA-N -1 3 347.283 4.262 20 10 EICDHM CC[C@H](N[C@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573236 1053327418 /nfs/dbraw/zinc/32/74/18/1053327418.db2.gz XLHHKOLCKXBVIO-RNCFNFMXSA-N -1 3 328.243 4.234 20 10 EICDHM CN(Cc1ccccc1N1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775646910 1053344607 /nfs/dbraw/zinc/34/46/07/1053344607.db2.gz LUOAGVOBYNAZTQ-UHFFFAOYSA-N -1 3 348.849 4.417 20 10 EICDHM [O-]c1c(Br)cccc1CNc1ccnc2ccsc21 ZINC000764934856 1053385556 /nfs/dbraw/zinc/38/55/56/1053385556.db2.gz OLSZJWPEPKXPKH-UHFFFAOYSA-N -1 3 335.226 4.377 20 10 EICDHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776661223 1053672873 /nfs/dbraw/zinc/67/28/73/1053672873.db2.gz OJMIAPDZWACXLJ-OAHLLOKOSA-N -1 3 329.396 4.011 20 10 EICDHM C[C@H](Nc1cnn2c1CCCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000866461411 1053739916 /nfs/dbraw/zinc/73/99/16/1053739916.db2.gz QHKMUCHKPVZUMI-JTQLQIEISA-N -1 3 325.334 4.117 20 10 EICDHM Cc1ccc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])o1 ZINC000866478573 1053743047 /nfs/dbraw/zinc/74/30/47/1053743047.db2.gz JVHQMTSOTQLMEN-SECBINFHSA-N -1 3 328.181 4.046 20 10 EICDHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014468 1054439511 /nfs/dbraw/zinc/43/95/11/1054439511.db2.gz RWTWACPWQSLWBF-KWQFWETISA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccns1 ZINC000858578012 1054526035 /nfs/dbraw/zinc/52/60/35/1054526035.db2.gz STAOKKUEMJLSQO-JGVFFNPUSA-N -1 3 345.237 4.162 20 10 EICDHM [O-]c1c(Cl)cccc1CNCc1ccccc1Br ZINC000124751315 1054602768 /nfs/dbraw/zinc/60/27/68/1054602768.db2.gz UTBDRWBODJOEQX-UHFFFAOYSA-N -1 3 326.621 4.098 20 10 EICDHM CC(C)[C@H](NCc1ccc(F)c(F)c1[O-])c1nc2ccccc2[nH]1 ZINC000876986239 1054995603 /nfs/dbraw/zinc/99/56/03/1054995603.db2.gz ZXFLFYUWWZYWLS-INIZCTEOSA-N -1 3 331.366 4.034 20 10 EICDHM CCN(Cc1c([O-])cccc1Br)[C@@H](C)c1cccnc1 ZINC000862367980 1055057250 /nfs/dbraw/zinc/05/72/50/1055057250.db2.gz ALYHOPCBNWXLDE-LBPRGKRZSA-N -1 3 335.245 4.133 20 10 EICDHM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1[O-] ZINC000186277490 1023113339 /nfs/dbraw/zinc/11/33/39/1023113339.db2.gz CVMDRAVSEQLSPF-CYBMUJFWSA-N -1 3 328.387 4.221 20 10 EICDHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1[O-] ZINC000756759798 1024428803 /nfs/dbraw/zinc/42/88/03/1024428803.db2.gz ZFIVCLYJUKJXPI-RMLUDKJBSA-N -1 3 325.742 4.108 20 10 EICDHM CCSc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278849715 1024600488 /nfs/dbraw/zinc/60/04/88/1024600488.db2.gz KXYCRTLZKCHSCK-UHFFFAOYSA-N -1 3 334.397 4.033 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000119003957 1027226575 /nfs/dbraw/zinc/22/65/75/1027226575.db2.gz XLUWJGNUWFWIFM-UHFFFAOYSA-N -1 3 339.863 4.028 20 10 EICDHM C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1[O-] ZINC000320518369 1029218110 /nfs/dbraw/zinc/21/81/10/1029218110.db2.gz GEZZJMFURBHJTP-SECBINFHSA-N -1 3 330.281 4.041 20 10 EICDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(SC)c2)c1 ZINC000840773075 1029227181 /nfs/dbraw/zinc/22/71/81/1029227181.db2.gz DUCGGXQBKJWKIL-NSHDSACASA-N -1 3 347.436 4.082 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](c1ccccc1)c1cccnc1 ZINC000190947613 1030587992 /nfs/dbraw/zinc/58/79/92/1030587992.db2.gz HJXWCSFDUSZLRG-LJQANCHMSA-N -1 3 342.801 4.459 20 10 EICDHM CCc1cccc(CC)c1NC(=S)NCc1c([O-])cccc1F ZINC000905662739 1035862438 /nfs/dbraw/zinc/86/24/38/1035862438.db2.gz YYOYJNMULVFOHM-UHFFFAOYSA-N -1 3 332.444 4.143 20 10 EICDHM COCC[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccco1 ZINC000272414050 1037184255 /nfs/dbraw/zinc/18/42/55/1037184255.db2.gz CKPIIBQKCWIYPC-CYBMUJFWSA-N -1 3 330.211 4.159 20 10 EICDHM O=C([O-])C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000272546417 1037219369 /nfs/dbraw/zinc/21/93/69/1037219369.db2.gz YPIPWLMHVGMQGF-SFHVURJKSA-N -1 3 344.480 4.044 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000792156657 1045867595 /nfs/dbraw/zinc/86/75/95/1045867595.db2.gz JVWVMXYBAWONPZ-LJQANCHMSA-N -1 3 349.833 4.130 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000769228866 1045897338 /nfs/dbraw/zinc/89/73/38/1045897338.db2.gz AHZOZRPWJQCAIG-HNNXBMFYSA-N -1 3 337.250 4.385 20 10 EICDHM CN(C)Cc1ccc(NCc2cccc(Cl)c2[O-])cc1Cl ZINC000793343951 1046201555 /nfs/dbraw/zinc/20/15/55/1046201555.db2.gz NYMKBAQKRRMJME-UHFFFAOYSA-N -1 3 325.239 4.373 20 10 EICDHM CC[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000786974086 1046886676 /nfs/dbraw/zinc/88/66/76/1046886676.db2.gz MIWGPJWXGDDXOO-CPCISQLKSA-N -1 3 326.156 4.146 20 10 EICDHM C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000806176209 1047175728 /nfs/dbraw/zinc/17/57/28/1047175728.db2.gz JNXQUTJUXHKIAF-OLZOCXBDSA-N -1 3 343.377 4.268 20 10 EICDHM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000806662020 1047347134 /nfs/dbraw/zinc/34/71/34/1047347134.db2.gz HJVXGOQYVWSURV-JVXZTZIISA-N -1 3 338.167 4.146 20 10 EICDHM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000806661873 1047347777 /nfs/dbraw/zinc/34/77/77/1047347777.db2.gz FVTDRVHCKNLGRI-MADCSZMMSA-N -1 3 338.167 4.146 20 10 EICDHM Cc1cc(C(=O)NCC(C)C)ccc1NCc1c([O-])cccc1Cl ZINC000789891344 1047481026 /nfs/dbraw/zinc/48/10/26/1047481026.db2.gz VOXLPFXSHIHYQC-UHFFFAOYSA-N -1 3 346.858 4.352 20 10 EICDHM CCCn1c2ccccc2nc1CNCc1cccc(Cl)c1[O-] ZINC000898219882 1047572990 /nfs/dbraw/zinc/57/29/90/1047572990.db2.gz OMFDMYUEUCGDFX-UHFFFAOYSA-N -1 3 329.831 4.095 20 10 EICDHM Cc1cc2nccn2cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524352 1047743872 /nfs/dbraw/zinc/74/38/72/1047743872.db2.gz ZYFDPQXNSMHDRX-UHFFFAOYSA-N -1 3 338.798 4.162 20 10 EICDHM Cc1ccn2cc(CN[C@H](C)c3cccc(C(F)(F)F)c3[O-])nc2c1 ZINC000815576689 1048518288 /nfs/dbraw/zinc/51/82/88/1048518288.db2.gz WKUUISIDLJQHQD-GFCCVEGCSA-N -1 3 349.356 4.218 20 10 EICDHM COC[C@H](NCc1cc(Cl)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000809792718 1048536012 /nfs/dbraw/zinc/53/60/12/1048536012.db2.gz FFUHURIMLBWROF-HNNXBMFYSA-N -1 3 344.213 4.315 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CCSC[C@H]2c2ccccc2)c1[O-] ZINC000748049745 1048708864 /nfs/dbraw/zinc/70/88/64/1048708864.db2.gz QAKUHWDTJFZSMX-SFHVURJKSA-N -1 3 345.439 4.024 20 10 EICDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000748051413 1048724554 /nfs/dbraw/zinc/72/45/54/1048724554.db2.gz UZBJOHPYUPTGDZ-JTQLQIEISA-N -1 3 337.341 4.205 20 10 EICDHM Cc1cnc(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)s1 ZINC000816592248 1048832113 /nfs/dbraw/zinc/83/21/13/1048832113.db2.gz DEQZVRIXBLNDRJ-UHFFFAOYSA-N -1 3 340.851 4.329 20 10 EICDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816556876 1048834482 /nfs/dbraw/zinc/83/44/82/1048834482.db2.gz XAGOGGJJJKSFLW-UHFFFAOYSA-N -1 3 345.157 4.036 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])cc(Cl)c1OC ZINC000846196896 1048839397 /nfs/dbraw/zinc/83/93/97/1048839397.db2.gz VLKIUNQHGUAOPF-SECBINFHSA-N -1 3 325.767 4.375 20 10 EICDHM O=C(Nc1ccc2[nH]c(-c3ccccc3)cc2c1)c1cccc(O)c1[O-] ZINC001148218697 1049279401 /nfs/dbraw/zinc/27/94/01/1049279401.db2.gz HOZLPOOGJIMKJM-UHFFFAOYSA-N -1 3 344.370 4.498 20 10 EICDHM C[C@H](NCc1ccc(C2CC2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000813874010 1049829863 /nfs/dbraw/zinc/82/98/63/1049829863.db2.gz CHBHEBDNVIXKHA-NSHDSACASA-N -1 3 330.359 4.168 20 10 EICDHM CC[C@H](C)Oc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774928503 1050163139 /nfs/dbraw/zinc/16/31/39/1050163139.db2.gz SSYOODWLTADDTF-LBPRGKRZSA-N -1 3 346.383 4.098 20 10 EICDHM CC(C)(C)NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000775176472 1050793771 /nfs/dbraw/zinc/79/37/71/1050793771.db2.gz LJRYAPRQMGAEEQ-UHFFFAOYSA-N -1 3 332.831 4.186 20 10 EICDHM C[C@H](NCc1ccsc1Br)c1ccc(F)cc1[O-] ZINC000388547736 1050859549 /nfs/dbraw/zinc/85/95/49/1050859549.db2.gz JJWDMXPOWWPJFF-QMMMGPOBSA-N -1 3 330.222 4.206 20 10 EICDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(Cl)c1 ZINC001180077235 1050875307 /nfs/dbraw/zinc/87/53/07/1050875307.db2.gz OCNPRRCWLXYCCY-SJKOYZFVSA-N -1 3 337.872 4.378 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CNCc1cc(Cl)cc2c1OCC2 ZINC001180686939 1051062510 /nfs/dbraw/zinc/06/25/10/1051062510.db2.gz JLBOTXMCOOZSBY-UHFFFAOYSA-N -1 3 342.197 4.063 20 10 EICDHM CC[C@H](NCc1csc([C@H](C)OC)n1)c1cc(Cl)ccc1[O-] ZINC000775511423 1051658154 /nfs/dbraw/zinc/65/81/54/1051658154.db2.gz FPPHGSIVHOPUTA-HZMBPMFUSA-N -1 3 340.876 4.450 20 10 EICDHM CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774548029 1051721691 /nfs/dbraw/zinc/72/16/91/1051721691.db2.gz SPHQJRSCVFHEEQ-GOSISDBHSA-N -1 3 338.794 4.395 20 10 EICDHM Cc1cc(CNCc2ccc([O-])c(F)c2F)c(C)n1-c1ccccc1 ZINC001183282228 1051816821 /nfs/dbraw/zinc/81/68/21/1051816821.db2.gz RFARQLMCNFVZHS-UHFFFAOYSA-N -1 3 342.389 4.368 20 10 EICDHM COC(=O)c1cc(NCc2cccc(F)c2[O-])cc2ccccc21 ZINC001183471242 1051848490 /nfs/dbraw/zinc/84/84/90/1051848490.db2.gz IJLRYZLVMOCWDZ-UHFFFAOYSA-N -1 3 325.339 4.083 20 10 EICDHM C[C@@H](NCc1cccc(OC2CC2)c1F)c1cc(F)cc(F)c1[O-] ZINC000850520958 1053279204 /nfs/dbraw/zinc/27/92/04/1053279204.db2.gz KHVXLSYRPNVNOA-SNVBAGLBSA-N -1 3 337.341 4.202 20 10 EICDHM COc1ccc(Cl)cc1CN(C)Cc1cccc(Cl)c1[O-] ZINC000775646374 1053338808 /nfs/dbraw/zinc/33/88/08/1053338808.db2.gz HZGSTBQCIYHASU-UHFFFAOYSA-N -1 3 326.223 4.340 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(Oc2ccccc2)CC1 ZINC000775653650 1053390077 /nfs/dbraw/zinc/39/00/77/1053390077.db2.gz LKGNMBVWAXAWJY-UHFFFAOYSA-N -1 3 335.806 4.228 20 10 EICDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])c(OC)c(C)c1OC ZINC000794839605 1053496214 /nfs/dbraw/zinc/49/62/14/1053496214.db2.gz GEECOHSCHUVXRY-NSHDSACASA-N -1 3 335.375 4.039 20 10 EICDHM CC[C@H](NCc1cccnc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836871 1053506114 /nfs/dbraw/zinc/50/61/14/1053506114.db2.gz ROXFRNAKTMAEAI-LBPRGKRZSA-N -1 3 329.202 4.474 20 10 EICDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775713700 1053664229 /nfs/dbraw/zinc/66/42/29/1053664229.db2.gz LWDBNUNASHJHHW-CQSZACIVSA-N -1 3 347.817 4.280 20 10 EICDHM O=C([N-]Cc1ccccc1O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857472756 1054265859 /nfs/dbraw/zinc/26/58/59/1054265859.db2.gz ZDJPXKOTZROJRD-UHFFFAOYSA-N -1 3 346.160 4.107 20 10 EICDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000872133835 1054410475 /nfs/dbraw/zinc/41/04/75/1054410475.db2.gz PADNHAHXMJUWCY-WPRPVWTQSA-N -1 3 326.227 4.209 20 10 EICDHM CC[C@H](NCc1c([O-])cccc1Br)c1nc(C)cs1 ZINC000858129223 1054421218 /nfs/dbraw/zinc/42/12/18/1054421218.db2.gz MRZRIJSGLKFTAX-LBPRGKRZSA-N -1 3 341.274 4.161 20 10 EICDHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000776014465 1054439725 /nfs/dbraw/zinc/43/97/25/1054439725.db2.gz RWTWACPWQSLWBF-GZMMTYOYSA-N -1 3 325.733 4.348 20 10 EICDHM CC[C@@](C)(NCc1cc(Cl)cc(F)c1[O-])c1nc(C)cs1 ZINC000776177278 1054804289 /nfs/dbraw/zinc/80/42/89/1054804289.db2.gz LXJHNLOPZFIYGL-OAHLLOKOSA-N -1 3 328.840 4.365 20 10 EICDHM CC1(C)C[C@@H](NCc2cc(F)cc(F)c2[O-])c2ccc(F)cc2O1 ZINC001201595829 1054859346 /nfs/dbraw/zinc/85/93/46/1054859346.db2.gz URUYZCWQBALEHU-OAHLLOKOSA-N -1 3 337.341 4.202 20 10 EICDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@@H]1c1cccnc1 ZINC000825959204 1055042846 /nfs/dbraw/zinc/04/28/46/1055042846.db2.gz COJDXEJOLLQFPC-MRXNPFEDSA-N -1 3 347.256 4.133 20 10 EICDHM CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000877843299 1055131616 /nfs/dbraw/zinc/13/16/16/1055131616.db2.gz PBNKEIMDUKKIQF-SFHVURJKSA-N -1 3 338.794 4.077 20 10 EICDHM C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1[O-] ZINC000186317160 1055352582 /nfs/dbraw/zinc/35/25/82/1055352582.db2.gz OXZVBLDFMITHHR-SUMWQHHRSA-N -1 3 331.387 4.262 20 10 EICDHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(OC)cc1 ZINC000746108920 1060024468 /nfs/dbraw/zinc/02/44/68/1060024468.db2.gz FUIPAGWCWWLSNB-UHFFFAOYSA-N -1 3 349.390 4.117 20 10 EICDHM COCc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000038010565 523054062 /nfs/dbraw/zinc/05/40/62/523054062.db2.gz BKZZZVOKGFSUAX-UHFFFAOYSA-N -1 3 326.223 4.135 20 10 EICDHM C[C@@H](NCc1cccc(Cl)c1[O-])c1nccn1-c1ccccc1 ZINC000377867658 1022064278 /nfs/dbraw/zinc/06/42/78/1022064278.db2.gz AKZOEQFQKPKLQZ-CYBMUJFWSA-N -1 3 327.815 4.082 20 10 EICDHM Cc1nnc([C@H](C)N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278812724 1023484897 /nfs/dbraw/zinc/48/48/97/1023484897.db2.gz RZTKPCRMBBCFKF-BQBZGAKWSA-N -1 3 332.256 4.271 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000377690469 1023689921 /nfs/dbraw/zinc/68/99/21/1023689921.db2.gz GOCIIGGLBLGLEW-OAHLLOKOSA-N -1 3 347.846 4.423 20 10 EICDHM C[C@@H]1CC[C@H](C)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132544 1027403786 /nfs/dbraw/zinc/40/37/86/1027403786.db2.gz DLRUIADXCSNOPN-ZJUUUORDSA-N -1 3 332.669 4.429 20 10 EICDHM C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1[O-] ZINC000186112704 1030247578 /nfs/dbraw/zinc/24/75/78/1030247578.db2.gz DDEOGOBMXACRMW-OLZOCXBDSA-N -1 3 342.830 4.038 20 10 EICDHM CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1[O-] ZINC000375837001 1031330523 /nfs/dbraw/zinc/33/05/23/1031330523.db2.gz FJYWXLZLLUYBDJ-OAHLLOKOSA-N -1 3 343.427 4.291 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[O-] ZINC000780386172 1031646277 /nfs/dbraw/zinc/64/62/77/1031646277.db2.gz VHEFLGHLOKGCAI-SKDRFNHKSA-N -1 3 349.780 4.411 20 10 EICDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1csc(C(F)(F)F)c1 ZINC000924900818 1034884961 /nfs/dbraw/zinc/88/49/61/1034884961.db2.gz UHOLVPHNYJNVFQ-MRVPVSSYSA-N -1 3 346.330 4.232 20 10 EICDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1csc(C(F)(F)F)c1 ZINC000924900821 1034885450 /nfs/dbraw/zinc/88/54/50/1034885450.db2.gz UHOLVPHNYJNVFQ-QMMMGPOBSA-N -1 3 346.330 4.232 20 10 EICDHM CN(Cc1cscn1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000063127650 1038034436 /nfs/dbraw/zinc/03/44/36/1038034436.db2.gz OOWLACJKYSTXNK-UHFFFAOYSA-N -1 3 328.437 4.106 20 10 EICDHM CN(CC(=O)OC(C)(C)C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738117254 1045038814 /nfs/dbraw/zinc/03/88/14/1045038814.db2.gz NJAJZRQJCSSROD-UHFFFAOYSA-N -1 3 341.407 4.065 20 10 EICDHM COc1cccc(Cl)c1CNCc1c([O-])ccc(Cl)c1F ZINC000790996343 1045649036 /nfs/dbraw/zinc/64/90/36/1045649036.db2.gz NROGBIQLIPCGKJ-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM CSc1ccccc1CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000791604701 1045787118 /nfs/dbraw/zinc/78/71/18/1045787118.db2.gz YHFVKOLUPRGINN-UHFFFAOYSA-N -1 3 333.428 4.088 20 10 EICDHM Cc1ccc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)cn1 ZINC000792173906 1045871517 /nfs/dbraw/zinc/87/15/17/1045871517.db2.gz LOOXOYCXTVGJPC-UHFFFAOYSA-N -1 3 334.822 4.268 20 10 EICDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000769476217 1045991040 /nfs/dbraw/zinc/99/10/40/1045991040.db2.gz XHAWURJDMNEAKV-KZULUSFZSA-N -1 3 335.806 4.147 20 10 EICDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474843 1045992590 /nfs/dbraw/zinc/99/25/90/1045992590.db2.gz SKZKNWJFLGBSMJ-KPZWWZAWSA-N -1 3 335.806 4.147 20 10 EICDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1ncc(C)o1 ZINC000771446392 1046405911 /nfs/dbraw/zinc/40/59/11/1046405911.db2.gz KZUKPLZFNNDMKJ-LLVKDONJSA-N -1 3 339.233 4.034 20 10 EICDHM CCc1cc(CN[C@H](CC)c2cc(Cl)cc(Cl)c2[O-])on1 ZINC000806140498 1047165337 /nfs/dbraw/zinc/16/53/37/1047165337.db2.gz LBHJMLBNUNRVRG-CQSZACIVSA-N -1 3 329.227 4.490 20 10 EICDHM CC[C@H](NCc1cc(C)ncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149667 1047174724 /nfs/dbraw/zinc/17/47/24/1047174724.db2.gz WJDJATOZUMCQPI-AWEZNQCLSA-N -1 3 326.227 4.038 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2OC(C)(C)C3)c1 ZINC000788985127 1047342218 /nfs/dbraw/zinc/34/22/18/1047342218.db2.gz VKVJDCMGPTZLSM-GFCCVEGCSA-N -1 3 341.407 4.065 20 10 EICDHM COc1c2ccccc2oc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000788980917 1047351315 /nfs/dbraw/zinc/35/13/15/1047351315.db2.gz PJCOIEWJHQWVBX-JTQLQIEISA-N -1 3 333.334 4.276 20 10 EICDHM [O-]c1c(Cl)cccc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045460 1048025139 /nfs/dbraw/zinc/02/51/39/1048025139.db2.gz FEWFLOFUIMUBDG-LBPRGKRZSA-N -1 3 327.733 4.240 20 10 EICDHM Cc1cc([O-])c(CN[C@@H](c2nc(C3CC3)no2)C(C)C)cc1Cl ZINC000825425743 1048089469 /nfs/dbraw/zinc/08/94/69/1048089469.db2.gz JDKXIAOTWCHCQY-OAHLLOKOSA-N -1 3 335.835 4.101 20 10 EICDHM COC[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731788 1048095647 /nfs/dbraw/zinc/09/56/47/1048095647.db2.gz ALGBVUMYAFBDLY-QLJPJBMISA-N -1 3 341.785 4.362 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000809728882 1048481420 /nfs/dbraw/zinc/48/14/20/1048481420.db2.gz KEDKUQRRSDULSP-INIZCTEOSA-N -1 3 347.256 4.195 20 10 EICDHM Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c([O-])c1O ZINC001135411596 1048704847 /nfs/dbraw/zinc/70/48/47/1048704847.db2.gz FQNDEBQAPYRRHK-UHFFFAOYSA-N -1 3 335.359 4.451 20 10 EICDHM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816506618 1048821241 /nfs/dbraw/zinc/82/12/41/1048821241.db2.gz IIXPBMKOBMBFIX-SECBINFHSA-N -1 3 328.840 4.451 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc(-c2ccccc2)on1 ZINC000816544516 1048826755 /nfs/dbraw/zinc/82/67/55/1048826755.db2.gz KTVDBVRACKLUCU-UHFFFAOYSA-N -1 3 332.762 4.130 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](c1ccccc1)c1ccncc1 ZINC000816548109 1048828440 /nfs/dbraw/zinc/82/84/40/1048828440.db2.gz UZIFEHXALIGRIT-LJQANCHMSA-N -1 3 342.801 4.459 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000816529200 1048831157 /nfs/dbraw/zinc/83/11/57/1048831157.db2.gz KHXDESOPKYKRIQ-LJQANCHMSA-N -1 3 342.801 4.459 20 10 EICDHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589007 1048832914 /nfs/dbraw/zinc/83/29/14/1048832914.db2.gz IPCVONFFEQEXHY-GFCCVEGCSA-N -1 3 325.733 4.348 20 10 EICDHM COCc1ccnc(N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000846213279 1048841359 /nfs/dbraw/zinc/84/13/59/1048841359.db2.gz QYKWNGSNNNOFGS-VIFPVBQESA-N -1 3 327.211 4.414 20 10 EICDHM CCCCN(Cc1ccccc1O)C(=O)c1cc([O-])ccc1Cl ZINC000811500334 1049112505 /nfs/dbraw/zinc/11/25/05/1049112505.db2.gz ADQYYJCYWNMPRY-UHFFFAOYSA-N -1 3 333.815 4.194 20 10 EICDHM Cc1ccccc1Oc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001148218887 1049280641 /nfs/dbraw/zinc/28/06/41/1049280641.db2.gz MFTYZCWPYDAJQD-UHFFFAOYSA-N -1 3 335.359 4.451 20 10 EICDHM CC(C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000813792371 1049817308 /nfs/dbraw/zinc/81/73/08/1049817308.db2.gz ODWAHJWZGPXYMT-UHFFFAOYSA-N -1 3 338.766 4.118 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NC1CCCCCC1 ZINC001191279021 1051414139 /nfs/dbraw/zinc/41/41/39/1051414139.db2.gz LDWZYLRLDPLAIS-UHFFFAOYSA-N -1 3 347.846 4.116 20 10 EICDHM CC[C@H](NCc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513774 1051662103 /nfs/dbraw/zinc/66/21/03/1051662103.db2.gz MISSACXLXSZHDX-ZDUSSCGKSA-N -1 3 329.202 4.474 20 10 EICDHM C[C@@H]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783947 1051900937 /nfs/dbraw/zinc/90/09/37/1051900937.db2.gz MONPPGFSHGGLBP-MRVPVSSYSA-N -1 3 338.167 4.015 20 10 EICDHM CCN(Cc1ccccc1)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764442312 1053105617 /nfs/dbraw/zinc/10/56/17/1053105617.db2.gz NRJOPENAMUTBTM-JLHYYAGUSA-N -1 3 331.419 4.379 20 10 EICDHM C[C@@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000864024297 1053158122 /nfs/dbraw/zinc/15/81/22/1053158122.db2.gz YNMXYAUNFHWQON-RFAUZJTJSA-N -1 3 329.293 4.300 20 10 EICDHM CC(C)[C@@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395442 1053162183 /nfs/dbraw/zinc/16/21/83/1053162183.db2.gz SHEFINXWIGCDKL-QZTJIDSGSA-N -1 3 337.822 4.033 20 10 EICDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])ccc1OC(F)F ZINC000850561076 1053317838 /nfs/dbraw/zinc/31/78/38/1053317838.db2.gz KLYLPPCABWBSOZ-SECBINFHSA-N -1 3 327.302 4.314 20 10 EICDHM CN(c1ccccc1)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665382 1053432409 /nfs/dbraw/zinc/43/24/09/1053432409.db2.gz PARYOIUNELZEHX-UHFFFAOYSA-N -1 3 348.849 4.286 20 10 EICDHM O=C(Nc1cccc(COC2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000776637498 1053630710 /nfs/dbraw/zinc/63/07/10/1053630710.db2.gz XQZVGVSKBKJAAR-UHFFFAOYSA-N -1 3 341.407 4.199 20 10 EICDHM C[C@H](NCc1ccsc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866405902 1053717813 /nfs/dbraw/zinc/71/78/13/1053717813.db2.gz MLWSRKFITAJLPA-QMMMGPOBSA-N -1 3 346.330 4.232 20 10 EICDHM O=C([O-])CCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000854241551 1053786244 /nfs/dbraw/zinc/78/62/44/1053786244.db2.gz OYEVPARUUPIQGX-UHFFFAOYSA-N -1 3 339.435 4.136 20 10 EICDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000872133834 1054408361 /nfs/dbraw/zinc/40/83/61/1054408361.db2.gz PADNHAHXMJUWCY-WCBMZHEXSA-N -1 3 326.227 4.209 20 10 EICDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C(F)(F)F)nc1 ZINC000873185418 1054504342 /nfs/dbraw/zinc/50/43/42/1054504342.db2.gz KBKZAWHMOSODAG-QMMMGPOBSA-N -1 3 348.727 4.449 20 10 EICDHM CC[C@H](Nc1ccc(COCCOC)cc1)c1ccc(F)cc1[O-] ZINC000858549843 1054516011 /nfs/dbraw/zinc/51/60/11/1054516011.db2.gz DKYCYKRBVCLDOV-SFHVURJKSA-N -1 3 333.403 4.258 20 10 EICDHM Cc1cc([O-])c(CN[C@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000862432087 1055065940 /nfs/dbraw/zinc/06/59/40/1055065940.db2.gz RAUHNLJYHGWHLW-LLVKDONJSA-N -1 3 336.766 4.204 20 10 EICDHM [O-]c1ccc(Cl)cc1CN(CCC(F)(F)F)CC(F)(F)F ZINC000790930903 1045625417 /nfs/dbraw/zinc/62/54/17/1045625417.db2.gz KHHHYOMONCEINP-UHFFFAOYSA-N -1 3 335.675 4.362 20 10 EICDHM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1[O-] ZINC000186277472 1023112233 /nfs/dbraw/zinc/11/22/33/1023112233.db2.gz CVMDRAVSEQLSPF-ZDUSSCGKSA-N -1 3 328.387 4.221 20 10 EICDHM CC(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC000148125846 1029298647 /nfs/dbraw/zinc/29/86/47/1029298647.db2.gz JEBYKYJSVKWPPN-UHFFFAOYSA-N -1 3 325.195 4.270 20 10 EICDHM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1[O-] ZINC000186105096 1030247488 /nfs/dbraw/zinc/24/74/88/1030247488.db2.gz IMAXGGIUDJSEHZ-LLVKDONJSA-N -1 3 345.855 4.415 20 10 EICDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC001233031605 1040116221 /nfs/dbraw/zinc/11/62/21/1040116221.db2.gz HYBVMAJMIVAHLW-YGRLFVJLSA-N -1 3 328.225 4.058 20 10 EICDHM CC[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)cc1[O-] ZINC000286174824 1041105679 /nfs/dbraw/zinc/10/56/79/1041105679.db2.gz QBYNGRZNVGACNE-WMZOPIPTSA-N -1 3 331.387 4.262 20 10 EICDHM CC[C@@](C)(NCc1cccc(Br)c1[O-])c1nccs1 ZINC000152611120 1042921425 /nfs/dbraw/zinc/92/14/25/1042921425.db2.gz ULMWMCFEZALUOE-CQSZACIVSA-N -1 3 341.274 4.026 20 10 EICDHM CCCCOc1ncccc1CNCc1c([O-])ccc(Cl)c1F ZINC000790955122 1045634327 /nfs/dbraw/zinc/63/43/27/1045634327.db2.gz BAGUDXAPQRMHSI-UHFFFAOYSA-N -1 3 338.810 4.048 20 10 EICDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000769538302 1046011874 /nfs/dbraw/zinc/01/18/74/1046011874.db2.gz COKRTZPKGKUZDQ-LRDDRELGSA-N -1 3 332.241 4.348 20 10 EICDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000769538300 1046014264 /nfs/dbraw/zinc/01/42/64/1046014264.db2.gz COKRTZPKGKUZDQ-BLLLJJGKSA-N -1 3 332.241 4.348 20 10 EICDHM Cc1ccc(C(=O)Nc2cccc(Cl)c2OC(C)C)c([O-])c1O ZINC000770495286 1046216359 /nfs/dbraw/zinc/21/63/59/1046216359.db2.gz VFVYXVRNBKWTKW-UHFFFAOYSA-N -1 3 335.787 4.099 20 10 EICDHM [O-]c1c(CNc2ccc3ccncc3n2)cc(Cl)c2cccnc12 ZINC001168522167 1046412893 /nfs/dbraw/zinc/41/28/93/1046412893.db2.gz AMKXRMGIJQPJJI-UHFFFAOYSA-N -1 3 336.782 4.149 20 10 EICDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000785607035 1046718552 /nfs/dbraw/zinc/71/85/52/1046718552.db2.gz ODTFRVHYONSWEX-SSDOTTSWSA-N -1 3 336.766 4.372 20 10 EICDHM C[C@H](NCc1cc(F)c(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000788621548 1047253452 /nfs/dbraw/zinc/25/34/52/1047253452.db2.gz ZGCHYTTUXNNSNP-ZETCQYMHSA-N -1 3 333.712 4.453 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000816483773 1048812227 /nfs/dbraw/zinc/81/22/27/1048812227.db2.gz DNWHVAFJUCLHPE-IBGZPJMESA-N -1 3 349.833 4.130 20 10 EICDHM COC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC000816594004 1048832359 /nfs/dbraw/zinc/83/23/59/1048832359.db2.gz MAXHVBWIDGNZQC-HNNXBMFYSA-N -1 3 344.213 4.315 20 10 EICDHM CC(C)(C)OCc1cc(CNCc2ccc3ccccc3c2[O-])no1 ZINC000816574923 1048839157 /nfs/dbraw/zinc/83/91/57/1048839157.db2.gz WTYFRLKHLWGRQK-UHFFFAOYSA-N -1 3 340.423 4.138 20 10 EICDHM O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(O)c1[O-] ZINC001148220189 1049283593 /nfs/dbraw/zinc/28/35/93/1049283593.db2.gz WVOYKLUPPJFAKB-UHFFFAOYSA-N -1 3 347.414 4.050 20 10 EICDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000821118648 1049600821 /nfs/dbraw/zinc/60/08/21/1049600821.db2.gz DHWOWWRIBYIVGY-UHFFFAOYSA-N -1 3 347.440 4.269 20 10 EICDHM COC(=O)C(C)(C)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000824125084 1049898401 /nfs/dbraw/zinc/89/84/01/1049898401.db2.gz CFUHMODIRQVKLM-UHFFFAOYSA-N -1 3 333.815 4.108 20 10 EICDHM [O-]c1c(CNc2cnc3c(c2)CN=N3)cc(Cl)c2cccnc12 ZINC001168525784 1049951518 /nfs/dbraw/zinc/95/15/18/1049951518.db2.gz KNCOKJKLUBMGSU-UHFFFAOYSA-N -1 3 325.759 4.198 20 10 EICDHM Cc1ccc(Br)c(CNCc2cc(F)cc(F)c2[O-])c1 ZINC001178966655 1050599264 /nfs/dbraw/zinc/59/92/64/1050599264.db2.gz JSEVRZACMZWJEM-UHFFFAOYSA-N -1 3 342.183 4.031 20 10 EICDHM C[C@@H]1CC[C@@](CO)(NCc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC001179792910 1050780975 /nfs/dbraw/zinc/78/09/75/1050780975.db2.gz CYNGILNWZJLDKD-BLVKFPJESA-N -1 3 349.833 4.059 20 10 EICDHM C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180249723 1050933805 /nfs/dbraw/zinc/93/38/05/1050933805.db2.gz YFXDNZVYSRBHNA-JTQLQIEISA-N -1 3 334.391 4.473 20 10 EICDHM CCc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001192983319 1051841712 /nfs/dbraw/zinc/84/17/12/1051841712.db2.gz OFWJFCUMRQOUMT-UHFFFAOYSA-N -1 3 340.810 4.086 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000774866969 1052228262 /nfs/dbraw/zinc/22/82/62/1052228262.db2.gz XBJQJVQDWDRTMH-VIFPVBQESA-N -1 3 339.769 4.377 20 10 EICDHM Cn1c2ccc(NCc3ccc(F)c(F)c3[O-])cc2nc1C1CC1 ZINC000864031437 1053169464 /nfs/dbraw/zinc/16/94/64/1053169464.db2.gz ZZPSMAIZHSBAGF-UHFFFAOYSA-N -1 3 329.350 4.047 20 10 EICDHM CC[C@@H](N[C@@H](C)c1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850572734 1053327052 /nfs/dbraw/zinc/32/70/52/1053327052.db2.gz OPGKGKTVJCRVOH-JOYOIKCWSA-N -1 3 328.243 4.234 20 10 EICDHM CC(C)CCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775659609 1053424186 /nfs/dbraw/zinc/42/41/86/1053424186.db2.gz ZFXCEZZGKSBMGA-UHFFFAOYSA-N -1 3 329.843 4.212 20 10 EICDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000775674466 1053502781 /nfs/dbraw/zinc/50/27/81/1053502781.db2.gz CXVLZTVZXDHXRW-MRXNPFEDSA-N -1 3 345.826 4.154 20 10 EICDHM C[C@H](NCc1ncc(Br)s1)c1ccc(Cl)cc1[O-] ZINC000866619590 1053809215 /nfs/dbraw/zinc/80/92/15/1053809215.db2.gz FOTIUMCVAYDAEA-ZETCQYMHSA-N -1 3 347.665 4.115 20 10 EICDHM CC[C@@H](Nc1ccc(COCCOC)cc1)c1ccc(F)cc1[O-] ZINC000858549842 1054514423 /nfs/dbraw/zinc/51/44/23/1054514423.db2.gz DKYCYKRBVCLDOV-GOSISDBHSA-N -1 3 333.403 4.258 20 10 EICDHM C[C@H](NCc1csc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858562381 1054517047 /nfs/dbraw/zinc/51/70/47/1054517047.db2.gz CNZOXXGDYVGLER-QMMMGPOBSA-N -1 3 346.330 4.232 20 10 EICDHM C[C@H](Nc1cccc(CCO)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834914812 1023413816 /nfs/dbraw/zinc/41/38/16/1023413816.db2.gz WOAFZSAELJQHPO-JTQLQIEISA-N -1 3 326.223 4.407 20 10 EICDHM COCC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000276892916 1024673625 /nfs/dbraw/zinc/67/36/25/1024673625.db2.gz IBCIXMBJMZGSDX-SMDDNHRTSA-N -1 3 325.355 4.000 20 10 EICDHM C[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185234997 1030135253 /nfs/dbraw/zinc/13/52/53/1030135253.db2.gz HGVOSEMQPNKVAX-YVEFUNNKSA-N -1 3 328.412 4.428 20 10 EICDHM COc1ccc(C(C)(C)NCc2c([O-])ccc(Cl)c2F)cc1F ZINC000527782073 1030846465 /nfs/dbraw/zinc/84/64/65/1030846465.db2.gz RWDPXJSQMNQTGY-UHFFFAOYSA-N -1 3 341.785 4.357 20 10 EICDHM C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000273532015 1037497653 /nfs/dbraw/zinc/49/76/53/1037497653.db2.gz WMVXJBNXKWDWDY-QPUJVOFHSA-N -1 3 326.227 4.150 20 10 EICDHM CC[C@@H](NCc1cc(F)cc(F)c1[O-])c1cc(F)ccc1OC ZINC000922618403 1044851438 /nfs/dbraw/zinc/85/14/38/1044851438.db2.gz MFJBWAVWBQTXAK-OAHLLOKOSA-N -1 3 325.330 4.059 20 10 EICDHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790873059 1045608051 /nfs/dbraw/zinc/60/80/51/1045608051.db2.gz GCXRQDJAFBZEKS-KBXCAEBGSA-N -1 3 325.408 4.020 20 10 EICDHM CCc1cccc2c1OCC[C@H]2NCc1c([O-])ccc(Cl)c1F ZINC000790959472 1045637750 /nfs/dbraw/zinc/63/77/50/1045637750.db2.gz GBGHNADDHWCNJJ-OAHLLOKOSA-N -1 3 335.806 4.361 20 10 EICDHM CCCN(CC(=O)Nc1ccccc1C)Cc1c([O-])cccc1Cl ZINC000768169088 1045734730 /nfs/dbraw/zinc/73/47/30/1045734730.db2.gz FMZVLHSXCNOGQP-UHFFFAOYSA-N -1 3 346.858 4.205 20 10 EICDHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000792174952 1045872979 /nfs/dbraw/zinc/87/29/79/1045872979.db2.gz OGRLQEAOXNVZHP-WCBMZHEXSA-N -1 3 325.733 4.348 20 10 EICDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000769107589 1045879921 /nfs/dbraw/zinc/87/99/21/1045879921.db2.gz YOUGIVAFHOHFBW-INIZCTEOSA-N -1 3 348.240 4.197 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[O-] ZINC000792354114 1045891102 /nfs/dbraw/zinc/89/11/02/1045891102.db2.gz GBEPGFVBACAOON-AWEZNQCLSA-N -1 3 347.352 4.144 20 10 EICDHM C[C@H](N[C@H](CO)c1ccsc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769986474 1046121747 /nfs/dbraw/zinc/12/17/47/1046121747.db2.gz PQSOSFRIDNNWGI-QPUJVOFHSA-N -1 3 332.252 4.145 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc(COC3CCCC3)cc2)c([O-])c1O ZINC000770502147 1046207787 /nfs/dbraw/zinc/20/77/87/1046207787.db2.gz JFKJPHWFUNQLJW-UHFFFAOYSA-N -1 3 341.407 4.118 20 10 EICDHM COC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000785545182 1046706742 /nfs/dbraw/zinc/70/67/42/1046706742.db2.gz SCQVUGRRILVXGG-CQSZACIVSA-N -1 3 344.213 4.315 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c1[O-] ZINC000805750835 1047003423 /nfs/dbraw/zinc/00/34/23/1047003423.db2.gz VSXHWDDAQOWNSC-KPZWWZAWSA-N -1 3 344.842 4.226 20 10 EICDHM CC[C@@H](c1ccccc1OC)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000805833828 1047026391 /nfs/dbraw/zinc/02/63/91/1047026391.db2.gz AYDALWWQZIAKGQ-SFHVURJKSA-N -1 3 345.414 4.326 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)c([O-])c1O ZINC000787722149 1047038106 /nfs/dbraw/zinc/03/81/06/1047038106.db2.gz RBUKWDLQMPTQPE-UHFFFAOYSA-N -1 3 327.311 4.058 20 10 EICDHM CC[C@@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccc(F)cc1[O-] ZINC000806170649 1047156061 /nfs/dbraw/zinc/15/60/61/1047156061.db2.gz YEUZLCFSHKQXCT-QGZVFWFLSA-N -1 3 330.403 4.186 20 10 EICDHM CC[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159083 1047182385 /nfs/dbraw/zinc/18/23/85/1047182385.db2.gz XIOLWGOUNDZHDN-ZIAGYGMSSA-N -1 3 339.769 4.498 20 10 EICDHM CC[C@H](NCc1cccnc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162917 1047184804 /nfs/dbraw/zinc/18/48/04/1047184804.db2.gz IXQJCPBHMXMCHR-ZDUSSCGKSA-N -1 3 329.202 4.474 20 10 EICDHM COc1ccc([C@@H]2CCCN2Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142520073 1047495509 /nfs/dbraw/zinc/49/55/09/1047495509.db2.gz BGBMLFADBZXKPZ-INIZCTEOSA-N -1 3 349.377 4.025 20 10 EICDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000790415157 1047581956 /nfs/dbraw/zinc/58/19/56/1047581956.db2.gz AFVBMHFJLZMHFR-UHFFFAOYSA-N -1 3 333.453 4.053 20 10 EICDHM [O-]c1c(CNc2ccc3cnoc3c2)cc(Cl)c2cccnc12 ZINC001168524200 1047627746 /nfs/dbraw/zinc/62/77/46/1047627746.db2.gz XOBOGKYFRUMYRI-UHFFFAOYSA-N -1 3 325.755 4.347 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045741 1048024427 /nfs/dbraw/zinc/02/44/27/1048024427.db2.gz KGZZMEPCMJBIFS-LLVKDONJSA-N -1 3 345.723 4.379 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCCc3occc3C2)c1 ZINC000809791899 1048536406 /nfs/dbraw/zinc/53/64/06/1048536406.db2.gz AZDVVOACPHSEFN-UHFFFAOYSA-N -1 3 336.229 4.005 20 10 EICDHM C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815625996 1048551192 /nfs/dbraw/zinc/55/11/92/1048551192.db2.gz RUTRUOUNARVPKR-BDAKNGLRSA-N -1 3 346.299 4.496 20 10 EICDHM [O-]c1c(CN(Cc2cc[nH]n2)Cc2ccccc2)ccc2ccccc21 ZINC000816503488 1048821672 /nfs/dbraw/zinc/82/16/72/1048821672.db2.gz ZWPVXPLHXZZFNX-UHFFFAOYSA-N -1 3 343.430 4.471 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CNCc1csc(-c2ccco2)n1 ZINC000816557783 1048835763 /nfs/dbraw/zinc/83/57/63/1048835763.db2.gz BENKYBSOCKEPDN-UHFFFAOYSA-N -1 3 338.791 4.191 20 10 EICDHM CC(C)(NCc1cc(Cl)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000816617026 1048845890 /nfs/dbraw/zinc/84/58/90/1048845890.db2.gz MKRMZACHKKRUQD-UHFFFAOYSA-N -1 3 338.766 4.118 20 10 EICDHM O=C(CC1=CCCCC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001146749056 1049053225 /nfs/dbraw/zinc/05/32/25/1049053225.db2.gz MDFDUXYYBBTMEZ-UHFFFAOYSA-N -1 3 330.815 4.101 20 10 EICDHM CC(C)c1ccc(NC(=O)c2cccc(O)c2[O-])c(C(F)(F)F)c1 ZINC001148218875 1049278857 /nfs/dbraw/zinc/27/88/57/1049278857.db2.gz LPKBXTAWAHWXFQ-UHFFFAOYSA-N -1 3 339.313 4.492 20 10 EICDHM Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c([O-])c1O ZINC001148211407 1049279913 /nfs/dbraw/zinc/27/99/13/1049279913.db2.gz ZPYKMITXXGINDB-UHFFFAOYSA-N -1 3 345.370 4.119 20 10 EICDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1Oc1ccccc1 ZINC001136524074 1049719097 /nfs/dbraw/zinc/71/90/97/1049719097.db2.gz QENCFXNDYKWARZ-AWEZNQCLSA-N -1 3 349.386 4.381 20 10 EICDHM CCCCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774935186 1050164335 /nfs/dbraw/zinc/16/43/35/1050164335.db2.gz MTGXTUBLUIPNCP-UHFFFAOYSA-N -1 3 346.383 4.100 20 10 EICDHM [O-]c1c(F)cc(F)cc1CN[C@H](c1cccc(F)c1)c1ccccn1 ZINC001178369232 1050446798 /nfs/dbraw/zinc/44/67/98/1050446798.db2.gz IAQCBZFIKGVECK-GOSISDBHSA-N -1 3 344.336 4.084 20 10 EICDHM Cc1ccc([C@@]2(C)CN(Cc3cc(Cl)ccc3[O-])CCO2)cc1 ZINC001203664228 1050568616 /nfs/dbraw/zinc/56/86/16/1050568616.db2.gz RNUMJQOOUGIOFP-LJQANCHMSA-N -1 3 331.843 4.102 20 10 EICDHM Nc1ccc(N(c2ccc(N)cc2)c2c(F)cc([O-])cc2F)cc1 ZINC001175100250 1051347012 /nfs/dbraw/zinc/34/70/12/1051347012.db2.gz YCLRBQXWNYOUEF-UHFFFAOYSA-N -1 3 327.334 4.305 20 10 EICDHM COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cccc(F)c1[O-] ZINC001182469958 1051607342 /nfs/dbraw/zinc/60/73/42/1051607342.db2.gz KFXLWKHQVKLLGF-MRXNPFEDSA-N -1 3 329.415 4.375 20 10 EICDHM O=C1N[C@@H](c2cc(Cl)c3ccccc3c2[O-])Nc2cc(F)ccc21 ZINC000774548127 1051721292 /nfs/dbraw/zinc/72/12/92/1051721292.db2.gz WGXUNTRNGSTMFK-KRWDZBQOSA-N -1 3 342.757 4.192 20 10 EICDHM C[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001184512495 1052035764 /nfs/dbraw/zinc/03/57/64/1052035764.db2.gz NZRGBRPDSRCHHA-NEPJUHHUSA-N -1 3 332.831 4.036 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194243904 1052114509 /nfs/dbraw/zinc/11/45/09/1052114509.db2.gz WYESUIRCCVNFDJ-UHFFFAOYSA-N -1 3 347.823 4.308 20 10 EICDHM Cc1nc(Cl)c(C)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528273 1052614778 /nfs/dbraw/zinc/61/47/78/1052614778.db2.gz RSQSTFCQCVNPKS-UHFFFAOYSA-N -1 3 349.221 4.266 20 10 EICDHM C[C@H](Nc1cccc(-n2nccn2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000864023179 1053157870 /nfs/dbraw/zinc/15/78/70/1053157870.db2.gz OXILJPLQYWOILL-NSHDSACASA-N -1 3 348.328 4.165 20 10 EICDHM CC[C@@H](N[C@H](C)c1nccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000850573235 1053326722 /nfs/dbraw/zinc/32/67/22/1053326722.db2.gz XLHHKOLCKXBVIO-NOZJJQNGSA-N -1 3 328.243 4.234 20 10 EICDHM Cc1nccnc1[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872132576 1054407569 /nfs/dbraw/zinc/40/75/69/1054407569.db2.gz GPSBUARKOPCCDL-SCZZXKLOSA-N -1 3 326.227 4.209 20 10 EICDHM C[C@H](NCc1ccccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000756367358 1022412755 /nfs/dbraw/zinc/41/27/55/1022412755.db2.gz KULMIXBLRFJUCV-VIFPVBQESA-N -1 3 329.293 4.123 20 10 EICDHM COc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])c1OC ZINC000101593694 1023871047 /nfs/dbraw/zinc/87/10/47/1023871047.db2.gz LRWBXUKITQNXIF-UHFFFAOYSA-N -1 3 342.222 4.006 20 10 EICDHM C[C@@H]1CN(c2ccc(NCc3c([O-])cccc3Cl)cc2)C[C@H](C)O1 ZINC000124874845 1023975395 /nfs/dbraw/zinc/97/53/95/1023975395.db2.gz DMHDKJXOVJYMMB-OKILXGFUSA-N -1 3 346.858 4.271 20 10 EICDHM CCNC(=O)Nc1ccc(C)c(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000279492093 1026450818 /nfs/dbraw/zinc/45/08/18/1026450818.db2.gz LTZAJQZEJXGHNK-GFCCVEGCSA-N -1 3 331.391 4.154 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCCc3c(F)cccc32)c1[O-] ZINC001167568692 1026536301 /nfs/dbraw/zinc/53/63/01/1026536301.db2.gz YLISFJLKODPFIG-UHFFFAOYSA-N -1 3 333.790 4.340 20 10 EICDHM C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365927 1037431865 /nfs/dbraw/zinc/43/18/65/1037431865.db2.gz FBTGHVMCPOLKDH-ZUZCIYMTSA-N -1 3 348.786 4.128 20 10 EICDHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790523295 1045524543 /nfs/dbraw/zinc/52/45/43/1045524543.db2.gz QKACSKKFUFAWPE-VIFPVBQESA-N -1 3 340.206 4.238 20 10 EICDHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790873063 1045605661 /nfs/dbraw/zinc/60/56/61/1045605661.db2.gz GCXRQDJAFBZEKS-RDTXWAMCSA-N -1 3 325.408 4.020 20 10 EICDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768376605 1045804322 /nfs/dbraw/zinc/80/43/22/1045804322.db2.gz UHUAWRZWVHQPAQ-QGZVFWFLSA-N -1 3 338.234 4.273 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OC2CCCCC2)CC1 ZINC000792165273 1045870266 /nfs/dbraw/zinc/87/02/66/1045870266.db2.gz NQICFYAQFJFJIZ-UHFFFAOYSA-N -1 3 341.854 4.498 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000792167773 1045871862 /nfs/dbraw/zinc/87/18/62/1045871862.db2.gz QWMDTQLUZRUMRV-QGZVFWFLSA-N -1 3 335.806 4.148 20 10 EICDHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000792333464 1045891780 /nfs/dbraw/zinc/89/17/80/1045891780.db2.gz SMLVRXIYHZMDQU-AWEZNQCLSA-N -1 3 334.419 4.102 20 10 EICDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000769474847 1045991926 /nfs/dbraw/zinc/99/19/26/1045991926.db2.gz SKZKNWJFLGBSMJ-KZULUSFZSA-N -1 3 335.806 4.147 20 10 EICDHM CC[C@H](N[C@H](C)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000786976050 1046890431 /nfs/dbraw/zinc/89/04/31/1046890431.db2.gz YYFBHZHMMLROEB-HQJQHLMTSA-N -1 3 326.156 4.146 20 10 EICDHM CC[C@@H](NCc1nccn1CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806137477 1047136465 /nfs/dbraw/zinc/13/64/65/1047136465.db2.gz OQEGFHATNLKMBH-GFCCVEGCSA-N -1 3 347.768 4.045 20 10 EICDHM CC[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1[O-] ZINC000806159080 1047182009 /nfs/dbraw/zinc/18/20/09/1047182009.db2.gz XIOLWGOUNDZHDN-KBPBESRZSA-N -1 3 339.769 4.498 20 10 EICDHM C[C@H](Nc1ccc2c(c1)ncn2C)c1cccc(C(F)(F)F)c1[O-] ZINC000788729031 1047282053 /nfs/dbraw/zinc/28/20/53/1047282053.db2.gz IHXISIAJCODBLE-JTQLQIEISA-N -1 3 335.329 4.471 20 10 EICDHM CN(Cc1cccc(OC(F)(F)F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142534370 1047555677 /nfs/dbraw/zinc/55/56/77/1047555677.db2.gz HHGVMGZYMPHNMO-UHFFFAOYSA-N -1 3 347.283 4.201 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825046086 1048025648 /nfs/dbraw/zinc/02/56/48/1048025648.db2.gz QAHCWPMOOSYYIJ-LBPRGKRZSA-N -1 3 345.723 4.379 20 10 EICDHM COC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000808731786 1048096204 /nfs/dbraw/zinc/09/62/04/1048096204.db2.gz ALGBVUMYAFBDLY-MGPLVRAMSA-N -1 3 341.785 4.362 20 10 EICDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cc(F)c(F)cc1F ZINC000809775388 1048505730 /nfs/dbraw/zinc/50/57/30/1048505730.db2.gz AJBJFLWUCOLJRZ-UHFFFAOYSA-N -1 3 336.140 4.406 20 10 EICDHM [O-]c1cc(F)c(Br)cc1CN1CCCC2(CCC2)C1 ZINC001144307559 1048586001 /nfs/dbraw/zinc/58/60/01/1048586001.db2.gz ABLFCQGPHRHJKJ-UHFFFAOYSA-N -1 3 328.225 4.060 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846014306 1048787896 /nfs/dbraw/zinc/78/78/96/1048787896.db2.gz FWQSSNMLKPCGNQ-UHFFFAOYSA-N -1 3 341.707 4.051 20 10 EICDHM CCc1nc([C@H]2CCCCN2Cc2ccc3ccccc3c2[O-])no1 ZINC000816494516 1048815358 /nfs/dbraw/zinc/81/53/58/1048815358.db2.gz OPCHKOAPOUUVOC-QGZVFWFLSA-N -1 3 337.423 4.218 20 10 EICDHM CC(C)n1cc2c(n1)[C@@H](NCc1cc(Cl)c(F)cc1[O-])CCC2 ZINC000816570368 1048836559 /nfs/dbraw/zinc/83/65/59/1048836559.db2.gz RNUUWASDERFOSV-HNNXBMFYSA-N -1 3 337.826 4.129 20 10 EICDHM CC(C)n1cc2c(n1)[C@H](NCc1cc(Cl)c(F)cc1[O-])CCC2 ZINC000816570369 1048837252 /nfs/dbraw/zinc/83/72/52/1048837252.db2.gz RNUUWASDERFOSV-OAHLLOKOSA-N -1 3 337.826 4.129 20 10 EICDHM CC1(C)CN(Cc2ccc3ccccc3c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000816616734 1048845877 /nfs/dbraw/zinc/84/58/77/1048845877.db2.gz FEGNYTURHMXIEA-HNNXBMFYSA-N -1 3 339.357 4.087 20 10 EICDHM CC(C)c1cnc(CNCc2cccc(Br)c2[O-])s1 ZINC000775153925 1050645939 /nfs/dbraw/zinc/64/59/39/1050645939.db2.gz WWIFNWAZYMCDMO-UHFFFAOYSA-N -1 3 341.274 4.024 20 10 EICDHM Cc1cc([O-])c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1Cl ZINC001180077733 1050877641 /nfs/dbraw/zinc/87/76/41/1050877641.db2.gz TXIHQIIAFAQBGN-YVEFUNNKSA-N -1 3 337.872 4.378 20 10 EICDHM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c(C)c1O ZINC000775287696 1051045234 /nfs/dbraw/zinc/04/52/34/1051045234.db2.gz JKPGTESBSPBCCL-UHFFFAOYSA-N -1 3 339.844 4.080 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC12CCCCC2 ZINC001181908241 1051346156 /nfs/dbraw/zinc/34/61/56/1051346156.db2.gz JPGKWURLDVPLBW-AWEZNQCLSA-N -1 3 344.842 4.180 20 10 EICDHM CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000775574224 1051876280 /nfs/dbraw/zinc/87/62/80/1051876280.db2.gz OJSOHHMRDMNUDV-GTNSWQLSSA-N -1 3 349.377 4.244 20 10 EICDHM C[C@H](Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000864024295 1053158447 /nfs/dbraw/zinc/15/84/47/1053158447.db2.gz YNMXYAUNFHWQON-BJOHPYRUSA-N -1 3 329.293 4.300 20 10 EICDHM CC(C)[C@@H](O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850395444 1053165071 /nfs/dbraw/zinc/16/50/71/1053165071.db2.gz SHEFINXWIGCDKL-ZWKOTPCHSA-N -1 3 337.822 4.033 20 10 EICDHM COc1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2[O-])c(OC)c1 ZINC000775646958 1053344447 /nfs/dbraw/zinc/34/44/47/1053344447.db2.gz NFODRPKMMVNXLU-KRWDZBQOSA-N -1 3 347.842 4.400 20 10 EICDHM Cc1ccc(C(=O)C2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775659247 1053419856 /nfs/dbraw/zinc/41/98/56/1053419856.db2.gz ZKBILWPSKWQQQA-UHFFFAOYSA-N -1 3 343.854 4.449 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196435497 1053659749 /nfs/dbraw/zinc/65/97/49/1053659749.db2.gz PMAFDENGZGHBLJ-UHFFFAOYSA-N -1 3 347.823 4.308 20 10 EICDHM C[C@H](NCc1ncc(Br)s1)c1cc(Cl)ccc1[O-] ZINC000866619358 1053808535 /nfs/dbraw/zinc/80/85/35/1053808535.db2.gz BLOITKDNZNQPBV-ZETCQYMHSA-N -1 3 347.665 4.115 20 10 EICDHM C[C@@H](NCc1ncc(Cl)s1)c1ccc(Br)cc1[O-] ZINC000872114890 1054393678 /nfs/dbraw/zinc/39/36/78/1054393678.db2.gz DDORKYUXGCESKE-SSDOTTSWSA-N -1 3 347.665 4.115 20 10 EICDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C(F)(F)F)nc1 ZINC000873184868 1054503608 /nfs/dbraw/zinc/50/36/08/1054503608.db2.gz KBKZAWHMOSODAG-MRVPVSSYSA-N -1 3 348.727 4.449 20 10 EICDHM COCCOCc1ccc(N[C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000858548427 1054514589 /nfs/dbraw/zinc/51/45/89/1054514589.db2.gz LXICNNHHBPUDQB-CYBMUJFWSA-N -1 3 335.831 4.382 20 10 EICDHM C[C@@H](N[C@@H](C)c1ccns1)c1cc(Br)cc(F)c1[O-] ZINC000858578013 1054524582 /nfs/dbraw/zinc/52/45/82/1054524582.db2.gz STAOKKUEMJLSQO-SFYZADRCSA-N -1 3 345.237 4.162 20 10 EICDHM Nc1ccc(Cc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)cc1 ZINC001201224686 1054730692 /nfs/dbraw/zinc/73/06/92/1054730692.db2.gz PYPOGEGQTPTELL-UHFFFAOYSA-N -1 3 335.363 4.217 20 10 EICDHM Nc1ccc(N(Cc2ccccc2)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223553 1054731236 /nfs/dbraw/zinc/73/12/36/1054731236.db2.gz AGZVANUJRZSDCG-UHFFFAOYSA-N -1 3 335.363 4.221 20 10 EICDHM COc1c([O-])c(CNc2ccccc2NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000825762803 1054761305 /nfs/dbraw/zinc/76/13/05/1054761305.db2.gz TVVXQBOQNWGHDY-UHFFFAOYSA-N -1 3 345.399 4.132 20 10 EICDHM CCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1C ZINC000862535931 1055080236 /nfs/dbraw/zinc/08/02/36/1055080236.db2.gz BZGOIQCRFGXGQL-UHFFFAOYSA-N -1 3 346.383 4.018 20 10 EICDHM CN(C/C=C/c1ccccc1)Cc1c([O-])cccc1Br ZINC001140102965 1020656917 /nfs/dbraw/zinc/65/69/17/1020656917.db2.gz BCJQCNOMMKDFEK-RMKNXTFCSA-N -1 3 332.241 4.300 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2cccn2C)c1 ZINC000781895554 1023374782 /nfs/dbraw/zinc/37/47/82/1023374782.db2.gz VARVCWWLKUGFSU-INIZCTEOSA-N -1 3 349.272 4.139 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226179 1027347844 /nfs/dbraw/zinc/34/78/44/1027347844.db2.gz CWBKXRSEJIOKBI-GFCCVEGCSA-N -1 3 341.707 4.051 20 10 EICDHM C[S@@](=O)Cc1cc(NCc2c([O-])cccc2Cl)ccc1Cl ZINC000783592793 1027534905 /nfs/dbraw/zinc/53/49/05/1027534905.db2.gz KRSIQFMFZXVKSE-OAQYLSRUSA-N -1 3 344.263 4.190 20 10 EICDHM CC[C@@H](NCc1ccn(CC)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840840164 1029568331 /nfs/dbraw/zinc/56/83/31/1029568331.db2.gz GQZFUBMSFFJXDH-CYBMUJFWSA-N -1 3 328.243 4.156 20 10 EICDHM COc1cc(Br)cc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000169004681 1035810743 /nfs/dbraw/zinc/81/07/43/1035810743.db2.gz BLOLZQYAYQIUKK-VIFPVBQESA-N -1 3 340.192 4.476 20 10 EICDHM CO[C@@H](C)c1nc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000273621524 1037528501 /nfs/dbraw/zinc/52/85/01/1037528501.db2.gz ZEXXIFADJGSZBV-UWVGGRQHSA-N -1 3 326.849 4.060 20 10 EICDHM [O-]c1cccc(F)c1CN1CCSC[C@H]1c1cccc(Cl)c1 ZINC001137838484 1044688869 /nfs/dbraw/zinc/68/88/69/1044688869.db2.gz BNIYSGXYHYTDOD-INIZCTEOSA-N -1 3 337.847 4.475 20 10 EICDHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790653571 1045557274 /nfs/dbraw/zinc/55/72/74/1045557274.db2.gz MBEOPIOSFBPBSB-UHFFFAOYSA-N -1 3 347.239 4.004 20 10 EICDHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000790905670 1045628404 /nfs/dbraw/zinc/62/84/04/1045628404.db2.gz PXCVQHHPWIUHPW-QGZVFWFLSA-N -1 3 325.408 4.199 20 10 EICDHM C[C@@H]1c2ccccc2OCCN1Cc1cccc(Br)c1[O-] ZINC000768931954 1045861743 /nfs/dbraw/zinc/86/17/43/1045861743.db2.gz XIJUOQKHEAIXDA-GFCCVEGCSA-N -1 3 348.240 4.110 20 10 EICDHM COc1cccc(Cl)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000792183041 1045874836 /nfs/dbraw/zinc/87/48/36/1045874836.db2.gz MLWXMXJKYPOOJF-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000769538304 1046013525 /nfs/dbraw/zinc/01/35/25/1046013525.db2.gz COKRTZPKGKUZDQ-MLGOLLRUSA-N -1 3 332.241 4.348 20 10 EICDHM CC[C@H](NCc1nccn1CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806137479 1047135703 /nfs/dbraw/zinc/13/57/03/1047135703.db2.gz OQEGFHATNLKMBH-LBPRGKRZSA-N -1 3 347.768 4.045 20 10 EICDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000790416393 1047583380 /nfs/dbraw/zinc/58/33/80/1047583380.db2.gz VYIOQZICPLWGOA-ZDUSSCGKSA-N -1 3 333.453 4.269 20 10 EICDHM CC[C@@H](Nc1cc(N2CCOCC2)ccc1C)c1ccc(F)cc1[O-] ZINC000796979579 1047995924 /nfs/dbraw/zinc/99/59/24/1047995924.db2.gz YQYZBJXQKVNFMD-GOSISDBHSA-N -1 3 344.430 4.240 20 10 EICDHM O=[N+]([O-])c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])c(F)c1 ZINC000809776230 1048505757 /nfs/dbraw/zinc/50/57/57/1048505757.db2.gz ZKWSUZLFCMFKHD-UHFFFAOYSA-N -1 3 345.157 4.036 20 10 EICDHM C[C@@]1(F)CCCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298565 1048574436 /nfs/dbraw/zinc/57/44/36/1048574436.db2.gz GSJMZSLDYOIPQM-CQSZACIVSA-N -1 3 334.204 4.008 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC2CCCC2)CC1 ZINC000816499170 1048820780 /nfs/dbraw/zinc/82/07/80/1048820780.db2.gz HSKHZKWUBRHIKC-UHFFFAOYSA-N -1 3 327.827 4.108 20 10 EICDHM COc1c(CNCc2cc(Cl)c(F)cc2[O-])oc2ccccc21 ZINC000816590432 1048832742 /nfs/dbraw/zinc/83/27/42/1048832742.db2.gz ZVXBGRMQVREBAX-UHFFFAOYSA-N -1 3 335.762 4.229 20 10 EICDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816565973 1048837588 /nfs/dbraw/zinc/83/75/88/1048837588.db2.gz HVMKAUVKHWIJJD-SCZZXKLOSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816573760 1048838864 /nfs/dbraw/zinc/83/88/64/1048838864.db2.gz JWMLIZPMYCLYOI-SCZZXKLOSA-N -1 3 325.733 4.348 20 10 EICDHM COCCCCc1cccnc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816616939 1048844819 /nfs/dbraw/zinc/84/48/19/1048844819.db2.gz KAPZMGQLVNBDCJ-UHFFFAOYSA-N -1 3 338.810 4.161 20 10 EICDHM CCc1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001148417018 1049314058 /nfs/dbraw/zinc/31/40/58/1049314058.db2.gz LIZNYMJYFHAOOD-UHFFFAOYSA-N -1 3 340.810 4.086 20 10 EICDHM COCCCCc1cccnc1NCc1c([O-])ccc(Cl)c1F ZINC000812345938 1049446755 /nfs/dbraw/zinc/44/67/55/1049446755.db2.gz XEFIDFIYAMDSLS-UHFFFAOYSA-N -1 3 338.810 4.161 20 10 EICDHM COc1c([O-])c(CNc2cccc(C3CCC3)c2)ccc1[N+](=O)[O-] ZINC000812775772 1049574046 /nfs/dbraw/zinc/57/40/46/1049574046.db2.gz OEFBUQDOEPVUSU-UHFFFAOYSA-N -1 3 328.368 4.189 20 10 EICDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1Oc1ccccc1 ZINC001136524075 1049718628 /nfs/dbraw/zinc/71/86/28/1049718628.db2.gz QENCFXNDYKWARZ-CQSZACIVSA-N -1 3 349.386 4.381 20 10 EICDHM Cc1ccoc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000813882514 1049830538 /nfs/dbraw/zinc/83/05/38/1049830538.db2.gz AHKSZHJACKVEPM-VIFPVBQESA-N -1 3 328.181 4.046 20 10 EICDHM C[C@@H](Oc1ccccc1NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001136803404 1049890611 /nfs/dbraw/zinc/89/06/11/1049890611.db2.gz BEGWKMXMWUWBEV-CQSZACIVSA-N -1 3 349.386 4.490 20 10 EICDHM COc1c([O-])c(CNc2csc3ccccc23)ccc1[N+](=O)[O-] ZINC000775056556 1050431705 /nfs/dbraw/zinc/43/17/05/1050431705.db2.gz KKOBDFCVAUISRD-UHFFFAOYSA-N -1 3 330.365 4.136 20 10 EICDHM C[C@H]1CC[C@@](CO)(NCc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC001179792912 1050780746 /nfs/dbraw/zinc/78/07/46/1050780746.db2.gz CYNGILNWZJLDKD-BUXKBTBVSA-N -1 3 349.833 4.059 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CC(c2ccc(Cl)cc2)C1 ZINC001181826194 1051322818 /nfs/dbraw/zinc/32/28/18/1051322818.db2.gz BQHKRLVJJXXMOT-UHFFFAOYSA-N -1 3 326.198 4.438 20 10 EICDHM C[C@H](NCc1cn2ccccc2n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774108771 1051456985 /nfs/dbraw/zinc/45/69/85/1051456985.db2.gz AEAURHIXNWYIIV-JTQLQIEISA-N -1 3 336.222 4.198 20 10 EICDHM CC(C)(C)OC(=O)N1CCCCN1Cc1ccc2ccccc2c1[O-] ZINC001182675437 1051665638 /nfs/dbraw/zinc/66/56/38/1051665638.db2.gz MSIBYODPDJSGRD-UHFFFAOYSA-N -1 3 342.439 4.293 20 10 EICDHM C[C@@H](Nc1cccc(-n2nccn2)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000864023611 1053157181 /nfs/dbraw/zinc/15/71/81/1053157181.db2.gz SFMIJRRAZRTZGI-SNVBAGLBSA-N -1 3 349.221 4.453 20 10 EICDHM C[C@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000864024298 1053158800 /nfs/dbraw/zinc/15/88/00/1053158800.db2.gz YNMXYAUNFHWQON-VFZGTOFNSA-N -1 3 329.293 4.300 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Oc1ccc(F)cc1 ZINC001195055935 1053244081 /nfs/dbraw/zinc/24/40/81/1053244081.db2.gz XRURKZVIZFFXDD-UHFFFAOYSA-N -1 3 346.745 4.022 20 10 EICDHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754026 1032438896 /nfs/dbraw/zinc/43/88/96/1032438896.db2.gz OZNKPGWKWIATGO-LBPRGKRZSA-N -1 3 346.814 4.484 20 10 EICDHM Cc1ccc(C(=O)NCC2CC2)cc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000187332318 1023230604 /nfs/dbraw/zinc/23/06/04/1023230604.db2.gz BVFQRRGRPDEFIO-CYBMUJFWSA-N -1 3 342.414 4.153 20 10 EICDHM COc1ccc(N(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1F ZINC001167882206 1026570042 /nfs/dbraw/zinc/57/00/42/1026570042.db2.gz WLMAWDRUNXPGPV-UHFFFAOYSA-N -1 3 337.778 4.032 20 10 EICDHM C[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132536 1027404689 /nfs/dbraw/zinc/40/46/89/1027404689.db2.gz DLRUIADXCSNOPN-NXEZZACHSA-N -1 3 332.669 4.429 20 10 EICDHM [O-]c1c(Br)cc(Cl)cc1CN1CC2CCC1CC2 ZINC000708133912 1027409220 /nfs/dbraw/zinc/40/92/20/1027409220.db2.gz ODVVZXKRVYHINB-UHFFFAOYSA-N -1 3 330.653 4.183 20 10 EICDHM COc1c([O-])c(CNc2cccc(C(C)(F)F)c2)ccc1[N+](=O)[O-] ZINC000278372054 1029035845 /nfs/dbraw/zinc/03/58/45/1029035845.db2.gz KRDPSGYOZAWEMV-UHFFFAOYSA-N -1 3 338.310 4.033 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](c1ccccc1)c1cccnc1 ZINC000190947597 1030588873 /nfs/dbraw/zinc/58/88/73/1030588873.db2.gz HJXWCSFDUSZLRG-IBGZPJMESA-N -1 3 342.801 4.459 20 10 EICDHM CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(F)cc1[O-] ZINC000375890129 1031449443 /nfs/dbraw/zinc/44/94/43/1031449443.db2.gz RKPHFHCSGMZOFZ-MRXNPFEDSA-N -1 3 328.387 4.369 20 10 EICDHM CC(=O)c1cc(F)cc(CN(Cc2ccco2)Cc2ccco2)c1[O-] ZINC000177237270 1031468278 /nfs/dbraw/zinc/46/82/78/1031468278.db2.gz DNFBAHYIAFVBJZ-UHFFFAOYSA-N -1 3 343.354 4.122 20 10 EICDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000740704987 1045210407 /nfs/dbraw/zinc/21/04/07/1045210407.db2.gz CYFFFTPSDOWFRB-UHFFFAOYSA-N -1 3 333.453 4.090 20 10 EICDHM COc1cccc(Cl)c1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000790699339 1045559706 /nfs/dbraw/zinc/55/97/06/1045559706.db2.gz RMSBQTLGUQAPCA-SECBINFHSA-N -1 3 327.758 4.183 20 10 EICDHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000790838034 1045591652 /nfs/dbraw/zinc/59/16/52/1045591652.db2.gz CBGPZRHYICRGCZ-UHFFFAOYSA-N -1 3 349.386 4.238 20 10 EICDHM COCc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC000767739011 1045625741 /nfs/dbraw/zinc/62/57/41/1045625741.db2.gz PFRVDTVSGMBSAY-UHFFFAOYSA-N -1 3 336.229 4.222 20 10 EICDHM CN(Cc1cc(Cl)ccc1[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768215437 1045753658 /nfs/dbraw/zinc/75/36/58/1045753658.db2.gz UHQRBPUUJOBRCQ-UHFFFAOYSA-N -1 3 341.194 4.239 20 10 EICDHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000792174953 1045871613 /nfs/dbraw/zinc/87/16/13/1045871613.db2.gz OGRLQEAOXNVZHP-WPRPVWTQSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H](NCc1cccc(Cl)c1[O-])c1ccc(Br)cn1 ZINC000793333552 1046211087 /nfs/dbraw/zinc/21/10/87/1046211087.db2.gz MBSOYMDZTFFZKE-SECBINFHSA-N -1 3 341.636 4.054 20 10 EICDHM CNc1cc(Cl)cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522077 1046406765 /nfs/dbraw/zinc/40/67/65/1046406765.db2.gz ORFHIDCAUHBLTG-UHFFFAOYSA-N -1 3 349.221 4.296 20 10 EICDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2c2cccs2)c1[O-] ZINC000805840919 1047032262 /nfs/dbraw/zinc/03/22/62/1047032262.db2.gz XWYJTHYWUTUFBO-KRWDZBQOSA-N -1 3 333.428 4.379 20 10 EICDHM CCCN(Cc1ccccc1O)C(=O)c1cc2sccc2c([O-])c1 ZINC000788295164 1047148326 /nfs/dbraw/zinc/14/83/26/1047148326.db2.gz AJCOIUCILWXOCX-UHFFFAOYSA-N -1 3 341.432 4.365 20 10 EICDHM Cc1cc([O-])c(CN(C)CC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000824522806 1047881200 /nfs/dbraw/zinc/88/12/00/1047881200.db2.gz TWGFIOIXEGKLES-UHFFFAOYSA-N -1 3 346.858 4.041 20 10 EICDHM Cc1cc([O-])c(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc1Cl ZINC000824602305 1047891520 /nfs/dbraw/zinc/89/15/20/1047891520.db2.gz UTCYFTVCKBXIIY-HNNXBMFYSA-N -1 3 347.846 4.342 20 10 EICDHM Cc1cc(Br)c([O-])c(CNc2cccc(C3CC3)n2)c1 ZINC000815143179 1048365600 /nfs/dbraw/zinc/36/56/00/1048365600.db2.gz GHOFDBQDQJBCAV-UHFFFAOYSA-N -1 3 333.229 4.348 20 10 EICDHM C[C@H](c1cccs1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768416836 1048696226 /nfs/dbraw/zinc/69/62/26/1048696226.db2.gz LRWZKCQGSNZSNG-SECBINFHSA-N -1 3 326.805 4.208 20 10 EICDHM CCc1nnc(CN[C@@H](CC)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000810260811 1048711606 /nfs/dbraw/zinc/71/16/06/1048711606.db2.gz QIRPLTLGJFZMQM-NSHDSACASA-N -1 3 345.390 4.066 20 10 EICDHM CCCCOc1ncccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816543072 1048827345 /nfs/dbraw/zinc/82/73/45/1048827345.db2.gz NEBHVPQOPUGRQB-UHFFFAOYSA-N -1 3 338.810 4.048 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](c1ccccc1)c1cccnc1 ZINC000816546771 1048828551 /nfs/dbraw/zinc/82/85/51/1048828551.db2.gz VWQLNKYLXGQDTR-LJQANCHMSA-N -1 3 342.801 4.459 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000816529199 1048831380 /nfs/dbraw/zinc/83/13/80/1048831380.db2.gz KHXDESOPKYKRIQ-IBGZPJMESA-N -1 3 342.801 4.459 20 10 EICDHM C[C@]12CCN(Cc3cc(Cl)c(F)cc3[O-])C[C@H]1C2(Cl)Cl ZINC000816603704 1048842609 /nfs/dbraw/zinc/84/26/09/1048842609.db2.gz NXRGWZNSPNBPIB-OLZOCXBDSA-N -1 3 338.637 4.200 20 10 EICDHM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001146447802 1049025308 /nfs/dbraw/zinc/02/53/08/1049025308.db2.gz LLTMJSUIEHMCSG-KRWDZBQOSA-N -1 3 339.391 4.280 20 10 EICDHM O=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1cccc(O)c1[O-] ZINC001148218928 1049280093 /nfs/dbraw/zinc/28/00/93/1049280093.db2.gz OLNLZZSJVAEWQQ-UHFFFAOYSA-N -1 3 341.313 4.295 20 10 EICDHM Cc1cc(NCc2c([O-])cccc2Cl)ccc1C(=O)NC(C)C ZINC000282813846 1049498390 /nfs/dbraw/zinc/49/83/90/1049498390.db2.gz ONBXPFJUAHMEQD-UHFFFAOYSA-N -1 3 332.831 4.104 20 10 EICDHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1-c1ccccn1 ZINC000820511159 1049517709 /nfs/dbraw/zinc/51/77/09/1049517709.db2.gz XIWBVJCIRVDRFH-UHFFFAOYSA-N -1 3 341.798 4.100 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)C[C@H]2c2cccnc2)c1[O-] ZINC000805750838 1049525317 /nfs/dbraw/zinc/52/53/17/1049525317.db2.gz VSXHWDDAQOWNSC-XIKOKIGWSA-N -1 3 344.842 4.226 20 10 EICDHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(O)c1[O-] ZINC001136635392 1049802101 /nfs/dbraw/zinc/80/21/01/1049802101.db2.gz MHXGEZCACJYEBZ-UHFFFAOYSA-N -1 3 346.795 4.127 20 10 EICDHM [O-]c1ccc(Br)cc1CN1CCCC[C@H]1C(F)(F)F ZINC001203643117 1050383097 /nfs/dbraw/zinc/38/30/97/1050383097.db2.gz SOLWRQGSXQULGE-LBPRGKRZSA-N -1 3 338.167 4.072 20 10 EICDHM COc1c([O-])c(CNc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000775052455 1050418884 /nfs/dbraw/zinc/41/88/84/1050418884.db2.gz DMQXUHWJHJIIRT-UHFFFAOYSA-N -1 3 343.166 4.228 20 10 EICDHM CCCc1ccc(CCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412631 1050465965 /nfs/dbraw/zinc/46/59/65/1050465965.db2.gz CFHJXLCEIRDNQU-UHFFFAOYSA-N -1 3 329.415 4.123 20 10 EICDHM CCN(CC)c1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001179309290 1050666759 /nfs/dbraw/zinc/66/67/59/1050666759.db2.gz YGZJAJHFJOZTOR-UHFFFAOYSA-N -1 3 336.439 4.036 20 10 EICDHM [O-]c1cc(Cl)ccc1CN1CCN(C2CC2)c2ccc(F)cc21 ZINC001181044178 1051136393 /nfs/dbraw/zinc/13/63/93/1051136393.db2.gz RIWKMLCBGKGLCB-UHFFFAOYSA-N -1 3 332.806 4.174 20 10 EICDHM CC[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000775523761 1051702284 /nfs/dbraw/zinc/70/22/84/1051702284.db2.gz MBIXKPRKMCEUJR-LSDHHAIUSA-N -1 3 341.785 4.098 20 10 EICDHM [O-]c1c(CNc2ncc3sccc3n2)cc(Cl)c2cccnc12 ZINC001168528205 1052612018 /nfs/dbraw/zinc/61/20/18/1052612018.db2.gz PKNSJWHXGYDJRG-UHFFFAOYSA-N -1 3 342.811 4.211 20 10 EICDHM CC(C)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168528262 1052614602 /nfs/dbraw/zinc/61/46/02/1052614602.db2.gz RLHWUGKZZSRVQI-UHFFFAOYSA-N -1 3 328.803 4.119 20 10 EICDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000775644630 1053336889 /nfs/dbraw/zinc/33/68/89/1053336889.db2.gz LVCFADCVBQOWPH-UHFFFAOYSA-N -1 3 349.833 4.366 20 10 EICDHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000776627193 1053619484 /nfs/dbraw/zinc/61/94/84/1053619484.db2.gz GEQSVTYIXURYFX-UHFFFAOYSA-N -1 3 331.387 4.070 20 10 EICDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cncc(C)c2)c1[O-] ZINC001197135804 1053835627 /nfs/dbraw/zinc/83/56/27/1053835627.db2.gz QBJSCSLKRXKRAR-GOSISDBHSA-N -1 3 344.842 4.289 20 10 EICDHM COc1ccc(Cl)cc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001199801864 1054473181 /nfs/dbraw/zinc/47/31/81/1054473181.db2.gz RZIJTXGNZXOMLV-UHFFFAOYSA-N -1 3 330.186 4.137 20 10 EICDHM Cc1cc([O-])c(CN(C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000825882335 1054927845 /nfs/dbraw/zinc/92/78/45/1054927845.db2.gz IOCJGSYKABJYRI-UHFFFAOYSA-N -1 3 349.843 4.098 20 10 EICDHM Cc1oc2c(ccc([O-])c2CN(C)C2CCC2)c(=O)c1-c1ccccc1 ZINC000742170417 1058528942 /nfs/dbraw/zinc/52/89/42/1058528942.db2.gz TWFCACOXPQNDSS-UHFFFAOYSA-N -1 3 349.430 4.458 20 10 EICDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000237575137 1032232248 /nfs/dbraw/zinc/23/22/48/1032232248.db2.gz GANZMLCCBSAZNN-JTQLQIEISA-N -1 3 347.777 4.086 20 10 EICDHM COc1ccc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000529653614 1032511372 /nfs/dbraw/zinc/51/13/72/1032511372.db2.gz RUQMMHXADXKWSG-JTQLQIEISA-N -1 3 339.794 4.053 20 10 EICDHM CC[C@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1[O-] ZINC000376831554 1023320761 /nfs/dbraw/zinc/32/07/61/1023320761.db2.gz AQJLKMZZMXTBCQ-GJZGRUSLSA-N -1 3 348.878 4.336 20 10 EICDHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1cc(F)cc(F)c1[O-] ZINC000756759800 1024435633 /nfs/dbraw/zinc/43/56/33/1024435633.db2.gz ZFIVCLYJUKJXPI-RTHLEPHNSA-N -1 3 325.742 4.108 20 10 EICDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](c1ccccc1)c1ccncc1 ZINC000190879022 1030577487 /nfs/dbraw/zinc/57/74/87/1030577487.db2.gz SKZJIFKLOPHGBM-IBGZPJMESA-N -1 3 342.801 4.459 20 10 EICDHM CC[C@H](N[C@@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796683157 1030748503 /nfs/dbraw/zinc/74/85/03/1030748503.db2.gz NEBUTOSJKXJSOK-PKOBYXMFSA-N -1 3 339.414 4.095 20 10 EICDHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1-c1ccccn1 ZINC000067145414 1033711394 /nfs/dbraw/zinc/71/13/94/1033711394.db2.gz ZMRSVGQWCJCCNL-UHFFFAOYSA-N -1 3 341.798 4.100 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1CCCc1ccccc1 ZINC000790904664 1045628102 /nfs/dbraw/zinc/62/81/02/1045628102.db2.gz XIXLKFZYJBMALQ-KRWDZBQOSA-N -1 3 339.435 4.115 20 10 EICDHM COc1ccccc1CN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768163634 1045729946 /nfs/dbraw/zinc/72/99/46/1045729946.db2.gz RTAXJVVYLMWEOH-UHFFFAOYSA-N -1 3 326.223 4.340 20 10 EICDHM C[C@@H]1c2ccsc2CCN1Cc1cccc(Br)c1[O-] ZINC000768209424 1045742879 /nfs/dbraw/zinc/74/28/79/1045742879.db2.gz QOIMCYWBXVAKBH-SNVBAGLBSA-N -1 3 338.270 4.336 20 10 EICDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792174662 1045872797 /nfs/dbraw/zinc/87/27/97/1045872797.db2.gz YFFUGKYQDMVCGD-DTWKUNHWSA-N -1 3 325.733 4.348 20 10 EICDHM C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000769986468 1046122057 /nfs/dbraw/zinc/12/20/57/1046122057.db2.gz PQSOSFRIDNNWGI-PELKAZGASA-N -1 3 332.252 4.145 20 10 EICDHM [O-]c1c(CNc2cncc(C3CC3)c2)cc(Cl)c2cccnc12 ZINC001168522237 1046431538 /nfs/dbraw/zinc/43/15/38/1046431538.db2.gz CEPOPQUVQQCQQH-UHFFFAOYSA-N -1 3 325.799 4.478 20 10 EICDHM COC[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000786955807 1046884176 /nfs/dbraw/zinc/88/41/76/1046884176.db2.gz DPVRXYZYRPGWJZ-HWPZZCPQSA-N -1 3 341.785 4.362 20 10 EICDHM CC[C@@H](NCc1cc(C)ncn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149668 1047176106 /nfs/dbraw/zinc/17/61/06/1047176106.db2.gz WJDJATOZUMCQPI-CQSZACIVSA-N -1 3 326.227 4.038 20 10 EICDHM COC[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccc(C)o1 ZINC000788607743 1047246238 /nfs/dbraw/zinc/24/62/38/1047246238.db2.gz CGYKRLVOLWOJJV-FZMZJTMJSA-N -1 3 343.345 4.351 20 10 EICDHM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000806662024 1047347513 /nfs/dbraw/zinc/34/75/13/1047347513.db2.gz HJVXGOQYVWSURV-MADCSZMMSA-N -1 3 338.167 4.146 20 10 EICDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2cccnc2)c1 ZINC000809728629 1048475803 /nfs/dbraw/zinc/47/58/03/1048475803.db2.gz DETIQTBOZQIMPE-INIZCTEOSA-N -1 3 347.256 4.195 20 10 EICDHM CC(C)n1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000815583044 1048523830 /nfs/dbraw/zinc/52/38/30/1048523830.db2.gz VRKWAEBAQQRVQJ-LLVKDONJSA-N -1 3 327.350 4.039 20 10 EICDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000748051414 1048724731 /nfs/dbraw/zinc/72/47/31/1048724731.db2.gz UZBJOHPYUPTGDZ-SNVBAGLBSA-N -1 3 337.341 4.205 20 10 EICDHM C[C@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1F ZINC000846017742 1048788510 /nfs/dbraw/zinc/78/85/10/1048788510.db2.gz PPNFSTIOWARYTR-BJOHPYRUSA-N -1 3 344.213 4.050 20 10 EICDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)c1 ZINC001148252757 1049288322 /nfs/dbraw/zinc/28/83/22/1049288322.db2.gz BGBRPQFJTCSJFK-UHFFFAOYSA-N -1 3 340.810 4.141 20 10 EICDHM Cc1nc(NC(=O)c2ccc(C)c(O)c2[O-])sc1-c1ccccc1 ZINC001136302249 1049429165 /nfs/dbraw/zinc/42/91/65/1049429165.db2.gz BYDKZCPZOWERIV-UHFFFAOYSA-N -1 3 340.404 4.090 20 10 EICDHM Cn1c2ccccc2cc(NCc2cc3ccccc3cc2[O-])c1=O ZINC001171405442 1049629131 /nfs/dbraw/zinc/62/91/31/1049629131.db2.gz VCNKYXRKQUCWAC-UHFFFAOYSA-N -1 3 330.387 4.009 20 10 EICDHM C[C@@H](c1ccccc1)n1ccc(NCc2c([O-])cccc2Cl)n1 ZINC001178138207 1050386320 /nfs/dbraw/zinc/38/63/20/1050386320.db2.gz AKZUGEXUTYYDJQ-ZDUSSCGKSA-N -1 3 327.815 4.464 20 10 EICDHM CCc1ccc2c(c1)[C@H](NCc1c([O-])ccc(Cl)c1F)CCO2 ZINC001178445140 1050460494 /nfs/dbraw/zinc/46/04/94/1050460494.db2.gz QINAFEWJCZDVOX-OAHLLOKOSA-N -1 3 335.806 4.361 20 10 EICDHM CCN(CC)c1ccc(CN(C)Cc2ccc([O-])c(F)c2F)cc1 ZINC001180364426 1050984510 /nfs/dbraw/zinc/98/45/10/1050984510.db2.gz SOXGPHWUCPWAFM-UHFFFAOYSA-N -1 3 334.410 4.149 20 10 EICDHM [O-]c1c(CNc2ccc3c(c2)NCC3)cc(Cl)c2cccnc12 ZINC001168526575 1051373860 /nfs/dbraw/zinc/37/38/60/1051373860.db2.gz YWQFYVBJWTYKSH-UHFFFAOYSA-N -1 3 325.799 4.174 20 10 EICDHM CSc1cccc(F)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000809690049 1051398255 /nfs/dbraw/zinc/39/82/55/1051398255.db2.gz ZBBYGNYVLBWRHT-UHFFFAOYSA-N -1 3 329.799 4.336 20 10 EICDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC001182460628 1051592607 /nfs/dbraw/zinc/59/26/07/1051592607.db2.gz AKTMAVRDQWEUAF-VIFPVBQESA-N -1 3 325.733 4.349 20 10 EICDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C(C)(C)C2)c1[O-] ZINC001192939782 1051841197 /nfs/dbraw/zinc/84/11/97/1051841197.db2.gz RTZOZSQGOXKRHE-UHFFFAOYSA-N -1 3 327.399 4.027 20 10 EICDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(Cl)cc2OC)c1 ZINC000775578127 1051873219 /nfs/dbraw/zinc/87/32/19/1051873219.db2.gz IAQDHLSPQFFJAF-SNVBAGLBSA-N -1 3 335.787 4.014 20 10 EICDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])OC1CCCCC1 ZINC001193639922 1051963139 /nfs/dbraw/zinc/96/31/39/1051963139.db2.gz GUVRLMYBIXETIV-UHFFFAOYSA-N -1 3 334.803 4.153 20 10 EICDHM Cc1cc2cc[nH]c2c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528252 1052616261 /nfs/dbraw/zinc/61/62/61/1052616261.db2.gz RCWYBPBHBKQJJC-UHFFFAOYSA-N -1 3 338.798 4.391 20 10 EICDHM CCN(Cc1c([O-])ccc2ccc(OC)cc21)[C@@H](C)C(F)(F)F ZINC000794676148 1053259729 /nfs/dbraw/zinc/25/97/29/1053259729.db2.gz DHUYXOAETZUMGE-NSHDSACASA-N -1 3 327.346 4.327 20 10 EICDHM CC(=O)c1cc(F)cc(CN(Cc2ccccc2F)CC2CC2)c1[O-] ZINC001196238828 1053625238 /nfs/dbraw/zinc/62/52/38/1053625238.db2.gz VMZQKASBKOVFTF-UHFFFAOYSA-N -1 3 345.389 4.285 20 10 EICDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000776668330 1053674345 /nfs/dbraw/zinc/67/43/45/1053674345.db2.gz JUPWREJPQCNSTE-LKBMAGLMSA-N -1 3 337.419 4.196 20 10 EICDHM C[C@@H](Nc1cnn2c1CCCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000866461412 1053740405 /nfs/dbraw/zinc/74/04/05/1053740405.db2.gz QHKMUCHKPVZUMI-SNVBAGLBSA-N -1 3 325.334 4.117 20 10 EICDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872132575 1054408024 /nfs/dbraw/zinc/40/80/24/1054408024.db2.gz GPSBUARKOPCCDL-PSASIEDQSA-N -1 3 326.227 4.209 20 10 EICDHM Cc1c(CSC(C)C)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000776350198 1055214371 /nfs/dbraw/zinc/21/43/71/1055214371.db2.gz LFPUTCUSJHOMKM-UHFFFAOYSA-N -1 3 331.437 4.300 20 10 EICDHM [O-]c1cccc(Cl)c1CNCc1c(F)cccc1OC(F)F ZINC000751991089 1058515915 /nfs/dbraw/zinc/51/59/15/1058515915.db2.gz MEUKXVPSIXUUAA-UHFFFAOYSA-N -1 3 331.721 4.076 20 10 EICDHM